data_1ti3_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 1ti3 _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 ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 CA--C 1.604 3.057 0 CA-C-O 120.674 0.273 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.11 157.83 53.36 Favored Glycine 0 CA--C 1.557 2.658 0 O-C-N 127.81 3.194 . . . . 0.0 109.236 165.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -135.82 111.25 9.14 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 102.603 -3.11 . . . . 0.0 102.603 -165.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -78.84 116.35 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.277 0 C-N-CA 127.265 2.226 . . . . 0.0 109.509 163.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.258 0.3 OUTLIER -120.62 127.27 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 -178.462 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.93 149.14 39.5 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 128.509 2.724 . . . . 0.0 115.249 167.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.3 m -150.98 145.17 25.38 Favored 'General case' 0 CA--C 1.601 2.928 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -160.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -141.55 -42.81 0.36 Allowed 'General case' 0 C--O 1.248 0.975 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -147.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 p -145.29 -169.57 3.23 Favored 'General case' 0 CA--C 1.584 2.251 0 C-N-CA 126.612 1.965 . . . . 0.0 110.903 -162.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.263 8.0 p -48.37 -24.0 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 117.213 2.301 . . . . 0.0 117.213 165.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.5 -39.64 67.78 Favored 'General case' 0 CA--C 1.572 1.802 0 N-CA-C 120.096 3.369 . . . . 0.0 120.096 165.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.326 1.6 t -59.87 -35.13 74.16 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 119.776 3.25 . . . . 0.0 119.776 159.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -49.69 -44.21 47.91 Favored 'General case' 0 C--N 1.377 1.799 0 O-C-N 119.256 -2.153 . . . . 0.0 115.276 163.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -57.77 -56.06 26.8 Favored 'General case' 0 C--O 1.206 -1.233 0 O-C-N 121.131 -0.98 . . . . 0.0 113.608 166.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.33 -61.02 2.9 Favored 'General case' 0 CA--C 1.611 3.304 0 O-C-N 117.717 -3.114 . . . . 0.0 116.06 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -50.66 -65.1 0.62 Allowed 'General case' 0 CA--C 1.573 1.848 0 N-CA-C 116.952 2.204 . . . . 0.0 116.952 176.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.304 7.7 t80 -56.3 -55.76 29.44 Favored 'General case' 0 CA--C 1.591 2.521 1 N-CA-C 123.331 4.567 . . . . 0.0 123.331 177.286 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.535 39.6 mm-40 -63.31 -38.38 90.95 Favored 'General case' 0 CA--C 1.583 2.234 0 N-CA-C 120.971 3.693 . . . . 0.0 120.971 171.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.264 30.6 mmtp -58.57 -65.45 0.65 Allowed 'General case' 0 CA--C 1.568 1.655 0 CA-C-O 117.223 -1.37 . . . . 0.0 114.083 156.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.31 -79.47 0.06 OUTLIER Glycine 1 CA--C 1.585 4.426 0 C-N-CA 128.357 2.884 . . . . 0.0 117.149 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -79.41 78.93 5.9 Favored 'General case' 0 C--N 1.376 1.74 0 C-N-CA 127.541 2.336 . . . . 0.0 112.302 161.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.61 -39.06 0.12 Allowed Glycine 0 C--O 1.248 1.023 0 CA-C-N 112.929 -1.941 . . . . 0.0 116.586 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.9 m -119.43 139.27 52.31 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 129.508 3.123 . . . . 0.0 105.844 -175.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -71.75 87.15 0.96 Allowed 'General case' 0 C--O 1.272 2.289 0 CA-C-N 110.899 -2.864 . . . . 0.0 110.955 166.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -166.41 154.79 10.54 Favored 'General case' 0 CA--C 1.584 2.285 0 O-C-N 127.625 3.078 . . . . 0.0 111.646 176.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.9 tp -76.4 153.09 36.01 Favored 'General case' 0 CA--C 1.583 2.213 0 CA-C-O 123.165 1.459 . . . . 0.0 108.605 153.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -146.45 134.26 15.27 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.076 0 N-CA-C 104.562 -2.385 . . . . 0.0 104.562 -179.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 59.3 t -136.98 134.12 47.98 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.124 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 -166.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 3.1 p -147.27 122.64 2.56 Favored 'Isoleucine or valine' 0 C--N 1.369 1.428 0 CA-C-N 112.65 -2.068 . . . . 0.0 108.629 -168.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -81.7 146.03 30.21 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-N 111.878 -2.419 . . . . 0.0 108.331 165.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -125.71 100.06 6.26 Favored 'General case' 0 C--O 1.275 2.426 0 C-N-CA 130.278 3.431 . . . . 0.0 102.988 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.495 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 9.6 t -145.65 138.14 25.73 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 128.896 2.879 . . . . 0.0 107.542 -168.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.27 . . -73.8 139.86 45.44 Favored 'General case' 0 CA--C 1.565 1.531 0 CA-C-N 110.91 -2.859 . . . . 0.0 109.162 161.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.489 ' HB2' ' HD2' ' A' ' 64' ' ' ASP . 48.1 t -55.82 -39.78 71.84 Favored 'General case' 0 CA--C 1.609 3.215 0 CA-C-N 112.543 -2.117 . . . . 0.0 115.76 172.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.271 45.6 p-90 -59.86 90.73 0.02 OUTLIER 'General case' 0 C--N 1.374 1.644 0 N-CA-C 119.383 3.105 . . . . 0.0 119.383 143.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.7 t -175.52 89.63 0.29 Allowed Pre-proline 0 CA--C 1.56 1.335 0 C-N-CA 126.098 1.759 . . . . 0.0 106.936 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -56.15 -41.42 76.96 Favored 'Trans proline' 1 CA--C 1.606 4.124 0 C-N-CA 123.046 2.498 . . . . 0.0 115.842 163.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -47.04 -50.25 11.29 Favored 'Trans proline' 0 CA--C 1.574 2.503 0 CA-C-N 127.163 3.594 . . . . 0.0 120.788 162.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.512 77.1 m -60.47 -25.36 65.97 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 121.18 3.77 . . . . 0.0 121.18 159.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -59.98 -43.93 94.82 Favored 'General case' 0 N--CA 1.51 2.57 1 N-CA-C 122.061 4.096 . . . . 0.0 122.061 162.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.268 8.7 ptt? -61.2 -46.09 91.9 Favored 'General case' 0 CA--C 1.625 3.862 0 N-CA-C 116.334 1.976 . . . . 0.0 116.334 157.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.449 1.0 OUTLIER -56.69 -43.32 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 175.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.17 -56.39 10.85 Favored Pre-proline 0 CA--C 1.599 2.852 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 168.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . 0.364 38.8 Cg_exo -48.04 -40.07 33.43 Favored 'Trans proline' 0 C--N 1.375 1.931 1 N-CA-C 123.688 4.457 . . . . 0.0 123.688 157.613 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.417 50.2 mm -57.62 -54.26 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 118.738 -2.476 . . . . 0.0 111.625 171.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -55.23 -33.16 62.88 Favored 'General case' 0 C--O 1.251 1.154 0 N-CA-C 117.934 2.568 . . . . 0.0 117.934 169.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.96 -54.08 14.91 Favored 'General case' 0 CA--C 1.602 2.953 0 C-N-CA 131.222 3.809 . . . . 0.0 116.768 164.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -51.79 -52.6 47.81 Favored 'General case' 0 CA--C 1.592 2.575 0 O-C-N 116.922 -3.612 . . . . 0.0 112.989 169.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -51.34 -46.42 62.66 Favored 'General case' 0 N--CA 1.526 3.374 0 O-C-N 118.446 -2.659 . . . . 0.0 115.529 168.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.09 -50.4 20.02 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 120.193 3.405 . . . . 0.0 120.193 166.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -57.05 -29.7 63.64 Favored 'General case' 0 N--CA 1.514 2.76 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 165.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.298 17.4 ttmt -70.77 -34.1 71.45 Favored 'General case' 0 CA--C 1.593 2.611 0 C-N-CA 130.919 3.688 . . . . 0.0 114.261 172.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -133.93 94.67 18.2 Favored Pre-proline 0 CA--C 1.621 3.68 0 C-N-CA 127.871 2.468 . . . . 0.0 105.925 -158.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.3 86.2 Cg_endo -69.52 -33.84 16.64 Favored 'Trans proline' 0 C--O 1.27 2.107 2 N-CA-C 126.079 5.376 . . . . 0.0 126.079 166.455 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.276 17.9 p30 -61.29 -4.39 1.19 Allowed 'General case' 0 CA--C 1.602 2.969 0 C-N-CA 129.05 2.94 . . . . 0.0 115.903 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.4 p -145.28 108.67 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.587 2.396 0 CA-C-O 123.49 1.614 . . . . 0.0 107.954 -150.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.9 m -68.47 152.46 45.36 Favored 'General case' 0 CA--C 1.594 2.635 0 CA-C-O 125.909 2.766 . . . . 0.0 112.196 166.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -138.5 131.34 29.51 Favored 'General case' 0 CA--C 1.558 1.267 0 CA-C-N 112.679 -2.055 . . . . 0.0 108.126 -169.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.432 0.6 OUTLIER -153.73 160.07 42.18 Favored 'General case' 0 N--CA 1.432 -1.352 0 C-N-CA 125.207 1.403 . . . . 0.0 107.567 -171.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -156.75 122.44 4.79 Favored 'General case' 0 N--CA 1.53 3.565 0 N-CA-C 105.028 -2.212 . . . . 0.0 105.028 -168.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.4 t -102.47 125.86 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.603 0 C-N-CA 130.169 3.388 . . . . 0.0 111.139 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.489 ' HD2' ' HB2' ' A' ' 36' ' ' SER . 3.6 t0 -66.11 102.89 0.87 Allowed 'General case' 0 N--CA 1.522 3.163 1 O-C-N 129.76 4.413 . . . . 0.0 110.633 159.25 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.282 1.6 p -52.69 -44.8 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.323 0 CA-C-N 113.656 -1.611 . . . . 0.0 113.438 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.361 5.3 m-20 -49.06 -45.52 43.05 Favored 'General case' 0 N--CA 1.517 2.908 0 C-N-CA 125.606 1.562 . . . . 0.0 112.849 170.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.379 34.3 mt-10 -58.43 -40.27 82.04 Favored 'General case' 0 N--CA 1.507 2.424 0 N-CA-C 120.881 3.66 . . . . 0.0 120.881 165.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.5 mt -148.99 54.35 0.98 Allowed 'General case' 0 CA--C 1.579 2.071 0 CA-C-O 123.896 1.808 . . . . 0.0 109.861 -162.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -66.44 -40.97 89.77 Favored 'General case' 0 N--CA 1.49 1.556 1 CA-C-O 109.437 -5.078 . . . . 0.0 118.728 166.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.452 . . -41.79 -65.14 0.48 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 127.644 3.09 . . . . 0.0 117.119 172.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.0 p -59.42 -44.5 92.79 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 O-C-N 127.544 3.028 . . . . 0.0 118.561 165.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.33 -51.61 52.84 Favored 'General case' 1 N--CA 1.549 4.478 1 O-C-N 115.206 -4.684 . . . . 0.0 112.14 177.849 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -57.79 -52.21 66.42 Favored 'General case' 0 N--CA 1.506 2.343 0 CA-C-N 109.118 -3.674 . . . . 0.0 108.526 174.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.549 0.0 OUTLIER -46.79 -53.89 10.97 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-N 123.446 2.839 . . . . 0.0 116.234 174.064 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -51.48 -52.43 46.66 Favored 'General case' 0 CA--C 1.581 2.156 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 173.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.28 26.0 t-20 151.15 97.69 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.919 0 O-C-N 127.615 3.072 . . . . 0.0 102.752 157.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.495 HG21 ' HB ' ' A' ' 82' ' ' THR . 15.7 t -154.38 76.16 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.511 2.615 1 N-CA-C 99.346 -4.316 . . . . 0.0 99.346 -173.369 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.299 0.9 OUTLIER -68.62 -10.45 56.11 Favored 'General case' 0 CA--C 1.614 3.408 0 C-N-CA 126.76 2.024 . . . . 0.0 116.105 147.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.0 140.11 22.08 Favored 'General case' 1 CA--C 1.649 4.769 0 CA-C-O 127.648 3.594 . . . . 0.0 110.19 -162.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.495 ' SD ' ' HA ' ' A' ' 34' ' ' THR . 31.9 mmt -78.02 115.44 50.53 Favored Pre-proline 1 N--CA 1.593 6.725 0 O-C-N 118.575 -2.578 . . . . 0.0 111.419 164.623 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.447 35.0 Cg_endo -154.25 142.75 0.0 OUTLIER 'Cis proline' 2 C--N 1.46 6.438 2 CA-C-O 136.051 6.605 . . . . 0.0 105.273 1.263 . . . . . . . . 4 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.495 ' HB ' HG21 ' A' ' 77' ' ' VAL . 18.8 m -110.05 112.99 25.34 Favored 'General case' 2 N--CA 1.56 5.047 1 CA-C-N 102.61 -6.632 . . . . 0.0 107.385 -152.975 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.425 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 44.6 m-85 -87.81 120.24 28.94 Favored 'General case' 0 CA--C 1.563 1.472 0 C-N-CA 129.031 2.932 . . . . 0.0 112.672 163.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 30' ' ' VAL 0.476 1.7 mt -107.41 153.92 8.56 Favored 'Isoleucine or valine' 0 C--O 1.296 3.546 1 C-N-CA 132.0 4.12 . . . . 0.0 111.703 177.326 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -135.28 107.56 7.26 Favored 'General case' 0 N--CA 1.484 1.242 1 CA-C-N 108.01 -4.177 . . . . 0.0 111.845 -167.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.13 124.93 16.97 Favored 'General case' 0 N--CA 1.405 -2.707 0 N-CA-C 100.939 -3.726 . . . . 0.0 100.939 -167.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -125.94 178.31 5.82 Favored 'General case' 0 CA--C 1.577 1.981 0 CA-C-N 110.462 -3.063 . . . . 0.0 107.132 -168.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -62.86 49.01 0.01 OUTLIER 'General case' 0 CA--C 1.629 4.0 0 N-CA-C 118.121 2.637 . . . . 0.0 118.121 158.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.12 59.92 0.06 OUTLIER Glycine 0 C--N 1.289 -2.037 0 C-N-CA 128.34 2.876 . . . . 0.0 116.217 168.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.422 39.3 ttmt 56.18 -167.11 0.11 Allowed 'General case' 0 CA--C 1.602 2.973 0 N-CA-C 119.786 3.254 . . . . 0.0 119.786 -172.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 43.4 tp -56.22 101.25 0.05 Allowed 'General case' 0 N--CA 1.512 2.64 0 CA-C-O 123.612 1.673 . . . . 0.0 112.578 167.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.459 27.6 m -69.41 -51.41 42.62 Favored 'Isoleucine or valine' 0 C--N 1.393 2.484 0 N-CA-C 117.988 2.588 . . . . 0.0 117.988 167.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -152.26 162.09 41.65 Favored 'General case' 0 CA--C 1.575 1.905 0 CA-C-O 122.942 1.354 . . . . 0.0 112.974 -169.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.47 135.29 21.14 Favored 'General case' 0 CA--C 1.592 2.583 0 CA-C-N 109.6 -3.455 . . . . 0.0 111.072 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.1 m -164.67 138.33 5.04 Favored 'General case' 0 CA--C 1.585 2.31 0 C-N-CA 130.584 3.554 . . . . 0.0 107.27 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -139.42 105.48 2.4 Favored 'Isoleucine or valine' 0 C--O 1.269 2.085 1 N-CA-C 98.885 -4.487 . . . . 0.0 98.885 -162.779 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 167.94 118.61 0.45 Allowed Glycine 0 C--O 1.179 -3.325 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 166.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . 0.298 . . -60.83 115.41 3.66 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 125.293 1.437 . . . . 0.0 113.058 163.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -159.62 120.37 3.13 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 -175.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.466 46.0 pttt -45.41 -62.52 1.24 Allowed 'General case' 0 CA--C 1.587 2.394 1 N-CA-C 121.888 4.033 . . . . 0.0 121.888 176.066 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -65.38 -35.38 80.79 Favored 'General case' 0 N--CA 1.539 3.997 0 C-N-CA 126.775 2.03 . . . . 0.0 115.009 164.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -42.38 -69.21 0.62 Allowed Glycine 0 N--CA 1.496 2.637 0 N-CA-C 119.191 2.436 . . . . 0.0 119.191 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.425 HD22 ' CZ ' ' A' ' 83' ' ' PHE 0.397 41.8 tp -44.53 -66.08 0.52 Allowed Pre-proline 0 CA--C 1.599 2.864 0 O-C-N 128.464 3.097 . . . . 0.0 111.45 172.297 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -43.21 -44.25 9.99 Favored 'Trans proline' 0 C--N 1.388 2.631 0 N-CA-C 120.465 3.217 . . . . 0.0 120.465 172.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.84 -57.76 10.71 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 124.991 1.432 . . . . 0.0 112.365 167.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.27 23.8 tp -47.2 -58.8 3.67 Favored 'General case' 0 CA--C 1.482 -1.641 0 C-N-CA 129.402 3.081 . . . . 0.0 116.57 177.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.46 -56.36 12.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.429 0 CA-C-O 115.215 -2.326 . . . . 0.0 112.918 167.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -39.45 -50.83 2.14 Favored 'General case' 0 N--CA 1.504 2.26 1 N-CA-C 123.524 4.638 . . . . 0.0 123.524 169.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -55.59 -57.26 12.67 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 167.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.483 59.9 m-70 -56.48 -57.78 10.85 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 120.685 3.587 . . . . 0.0 120.685 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.604 3.056 0 CA-C-O 115.358 -2.258 . . . . 0.0 115.673 168.369 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 . . . . . 0 CA--C 1.584 2.255 0 CA-C-O 122.19 0.995 . . . . 0.0 113.61 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.38 164.33 50.66 Favored Glycine 0 C--N 1.367 2.294 0 CA-C-N 113.184 -1.826 . . . . 0.0 114.386 159.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -150.17 125.39 10.06 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 104.497 -2.408 . . . . 0.0 104.497 -173.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.2 t -88.98 125.39 42.04 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.43 0 C-N-CA 130.027 3.331 . . . . 0.0 114.086 164.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.41 126.97 62.0 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.937 0 C-N-CA 128.449 2.7 . . . . 0.0 111.313 -175.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.55 134.04 50.54 Favored 'General case' 0 CA--C 1.57 1.714 0 C-N-CA 128.675 2.79 . . . . 0.0 117.674 168.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.417 ' SG ' HD11 ' A' ' 61' ' ' LEU . 87.1 m -135.77 134.63 39.19 Favored 'General case' 0 N--CA 1.516 2.874 0 N-CA-C 104.677 -2.342 . . . . 0.0 104.677 -157.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -150.28 -20.91 0.24 Allowed 'General case' 0 N--CA 1.52 3.065 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -158.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.425 ' HB ' ' H ' ' A' ' 12' ' ' VAL . 74.5 p -149.62 -168.38 3.09 Favored 'General case' 0 CA--C 1.584 2.278 0 CA-C-O 124.715 2.197 . . . . 0.0 106.921 -159.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.425 ' H ' ' HB ' ' A' ' 11' ' ' THR . 5.6 p -52.08 -20.65 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.594 2.668 1 N-CA-C 121.815 4.006 . . . . 0.0 121.815 154.116 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.43 -47.08 69.96 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 172.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.463 0.6 OUTLIER -49.45 -45.45 46.64 Favored 'General case' 0 CA--C 1.595 2.686 0 N-CA-C 118.946 2.943 . . . . 0.0 118.946 159.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -46.22 -49.48 17.07 Favored 'General case' 0 C--O 1.26 1.63 0 N-CA-C 116.773 2.138 . . . . 0.0 116.773 170.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -52.01 -64.36 0.84 Allowed 'General case' 0 N--CA 1.502 2.13 0 CA-C-N 114.347 -1.297 . . . . 0.0 113.776 159.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -49.84 -64.13 0.9 Allowed 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 128.375 2.67 . . . . 0.0 117.806 -177.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -50.43 -55.89 13.85 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 116.31 1.967 . . . . 0.0 116.31 173.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -58.77 -58.43 8.62 Favored 'General case' 0 CA--C 1.602 2.953 0 N-CA-C 119.441 3.126 . . . . 0.0 119.441 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -62.26 -61.46 2.44 Favored 'General case' 0 C--O 1.271 2.215 0 C-N-CA 127.306 2.242 . . . . 0.0 114.763 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.274 31.7 mmtp -48.38 -60.0 3.02 Favored 'General case' 1 N--CA 1.542 4.142 0 CA-C-N 122.541 2.428 . . . . 0.0 113.972 168.226 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -40.46 -81.83 0.02 OUTLIER Glycine 0 C--N 1.369 2.416 0 N-CA-C 121.258 3.263 . . . . 0.0 121.258 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -79.05 100.51 7.38 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 123.825 1.774 . . . . 0.0 112.826 154.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.29 -49.24 0.48 Allowed Glycine 0 N--CA 1.505 3.285 0 CA-C-N 110.248 -3.16 . . . . 0.0 114.487 159.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.4 m -92.85 132.02 37.37 Favored 'General case' 0 N--CA 1.512 2.645 0 N-CA-C 104.779 -2.304 . . . . 0.0 104.779 172.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -64.03 76.33 0.03 OUTLIER 'General case' 0 CA--C 1.576 1.948 1 CA-C-O 130.024 4.726 . . . . 0.0 113.774 172.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -154.22 156.5 37.21 Favored 'General case' 0 N--CA 1.534 3.754 0 O-C-N 117.977 -2.952 . . . . 0.0 114.551 -178.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.272 54.3 tp -83.28 147.68 27.82 Favored 'General case' 0 CA--C 1.601 2.914 0 CA-C-O 125.809 2.718 . . . . 0.0 110.746 164.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.9 pt -146.91 133.29 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.747 0 O-C-N 117.879 -3.013 . . . . 0.0 104.998 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.9 t -141.03 129.91 24.33 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.752 0 N-CA-C 103.589 -2.745 . . . . 0.0 103.589 -168.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.281 2.5 p -139.84 112.35 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.948 0 CA-C-O 126.604 3.097 . . . . 0.0 104.673 -160.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -70.53 130.48 41.96 Favored 'General case' 0 CA--C 1.614 3.44 0 O-C-N 118.591 -2.568 . . . . 0.0 114.051 153.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -114.47 111.96 22.24 Favored 'General case' 1 C--O 1.333 5.468 1 C-N-CA 135.342 5.457 . . . . 0.0 104.745 175.571 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -160.99 145.97 14.04 Favored 'General case' 0 N--CA 1.517 2.897 0 N-CA-C 101.547 -3.501 . . . . 0.0 101.547 -166.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.257 . . -80.03 158.92 26.38 Favored 'General case' 0 C--O 1.209 -1.063 1 CA-C-N 108.253 -4.067 . . . . 0.0 108.662 165.33 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.334 22.3 t -59.85 -43.01 94.88 Favored 'General case' 0 N--CA 1.518 2.93 0 O-C-N 117.513 -3.242 . . . . 0.0 116.28 166.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 24.8 p-90 -69.47 69.73 0.26 Allowed 'General case' 0 CA--C 1.567 1.623 0 N-CA-C 117.734 2.494 . . . . 0.0 117.734 162.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 54.0 t -156.63 82.46 3.35 Favored Pre-proline 0 CA--C 1.596 2.747 0 CA-C-N 112.88 -1.964 . . . . 0.0 110.664 -175.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -51.93 -41.2 64.83 Favored 'Trans proline' 0 CA--C 1.585 3.049 0 C-N-CA 125.007 3.805 . . . . 0.0 120.635 168.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -49.86 -44.56 36.16 Favored 'Trans proline' 0 CA--C 1.554 1.504 1 C-N-CA 126.128 4.552 . . . . 0.0 119.294 161.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.412 ' SG ' ' HG2' ' A' ' 81' ' ' PRO 0.328 56.5 m -77.24 -22.39 52.28 Favored 'General case' 0 C--O 1.189 -2.113 1 N-CA-C 122.031 4.086 . . . . 0.0 122.031 163.521 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.4 tttp -58.78 -43.31 90.41 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 123.492 2.86 . . . . 0.0 114.858 159.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.318 25.0 ptt? -61.95 -37.65 85.54 Favored 'General case' 0 C--N 1.387 2.225 1 N-CA-C 121.861 4.023 . . . . 0.0 121.861 153.084 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.406 1.0 OUTLIER -60.2 -31.75 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.325 0 N-CA-C 119.5 3.148 . . . . 0.0 119.5 169.145 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.305 . . -49.15 -59.25 6.78 Favored Pre-proline 0 C--O 1.181 -2.515 0 O-C-N 125.774 1.922 . . . . 0.0 115.606 167.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.55 -40.01 73.54 Favored 'Trans proline' 0 N--CA 1.518 2.965 2 N-CA-C 124.163 4.64 . . . . 0.0 124.163 158.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.287 40.6 mm -52.04 -56.55 5.89 Favored 'Isoleucine or valine' 0 C--N 1.387 2.208 0 O-C-N 118.9 -2.375 . . . . 0.0 114.999 165.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -46.46 -44.2 17.27 Favored 'General case' 0 CA--C 1.572 1.811 0 C-N-CA 126.5 1.92 . . . . 0.0 115.879 168.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.65 -52.11 62.18 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 118.673 2.842 . . . . 0.0 118.673 165.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.349 36.5 tt0 -51.88 -60.31 3.33 Favored 'General case' 0 N--CA 1.526 3.329 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 168.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -49.2 -51.9 30.09 Favored 'General case' 0 CA--C 1.6 2.884 0 C-N-CA 126.215 1.806 . . . . 0.0 113.58 169.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.415 ' HA ' ' CE2' ' A' ' 60' ' ' PHE . . . -48.41 -48.65 37.01 Favored 'General case' 0 CA--C 1.566 1.559 0 CA-C-N 120.126 1.33 . . . . 0.0 113.361 172.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -53.66 -48.24 69.62 Favored 'General case' 0 CA--C 1.598 2.805 0 CA-C-O 116.148 -1.882 . . . . 0.0 113.664 169.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -56.47 -25.34 50.71 Favored 'General case' 0 N--CA 1.511 2.58 0 C-N-CA 129.174 2.99 . . . . 0.0 112.846 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -136.7 100.38 10.06 Favored Pre-proline 1 CA--C 1.636 4.262 0 C-N-CA 129.521 3.128 . . . . 0.0 106.562 -161.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.286 26.1 Cg_endo -81.94 -27.97 2.27 Favored 'Trans proline' 0 CA--C 1.552 1.42 2 C-N-CA 131.32 8.013 . . . . 0.0 125.385 176.571 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.442 10.1 p30 -61.89 3.64 0.15 Allowed 'General case' 1 N--CA 1.547 4.377 0 C-N-CA 127.527 2.331 . . . . 0.0 117.014 175.878 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.273 6.2 p -145.85 116.23 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 124.693 1.246 . . . . 0.0 109.497 -149.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 84.1 m -71.08 157.2 38.6 Favored 'General case' 0 CA--C 1.585 2.317 0 CA-C-O 125.807 2.717 . . . . 0.0 109.921 166.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.415 ' CE2' ' HA ' ' A' ' 52' ' ' ALA . 88.3 m-85 -144.31 136.82 26.71 Favored 'General case' 0 N--CA 1.509 2.492 0 C-N-CA 127.958 2.503 . . . . 0.0 108.476 -176.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.417 HD11 ' SG ' ' A' ' 9' ' ' CYS 0.259 0.9 OUTLIER -157.03 156.59 33.16 Favored 'General case' 0 CA--C 1.581 2.16 0 CA-C-N 111.706 -2.497 . . . . 0.0 109.726 -173.961 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.359 42.3 pttt -143.81 108.48 4.88 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 -160.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.56 125.24 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 128.143 2.577 . . . . 0.0 108.033 175.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -78.35 90.74 4.4 Favored 'General case' 0 C--O 1.257 1.45 0 CA-C-N 110.681 -2.963 . . . . 0.0 103.959 164.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -43.94 -42.17 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.6 2.902 0 N-CA-C 121.008 3.707 . . . . 0.0 121.008 168.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.68 -44.52 37.96 Favored 'General case' 1 CA--C 1.636 4.279 0 CA-C-O 122.547 1.165 . . . . 0.0 113.763 173.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.312 0.3 OUTLIER -62.15 -39.07 91.38 Favored 'General case' 0 CA--C 1.588 2.426 0 N-CA-C 118.204 2.668 . . . . 0.0 118.204 161.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.5 mt -143.03 56.83 1.4 Allowed 'General case' 1 CA--C 1.636 4.285 0 CA-C-O 125.91 2.767 . . . . 0.0 114.879 -159.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.37 33.1 pttt -68.94 -52.13 32.45 Favored 'General case' 0 C--O 1.189 -2.095 0 CA-C-N 110.044 -3.253 . . . . 0.0 116.244 172.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.277 . . -49.16 -66.72 0.35 Allowed 'General case' 0 N--CA 1.531 3.599 0 O-C-N 126.833 2.583 . . . . 0.0 117.754 175.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.625 HG22 ' HE1' ' A' ' 75' ' ' TRP . 9.9 p -60.54 -42.98 93.43 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.907 0 CA-C-O 112.553 -3.594 . . . . 0.0 118.846 163.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . 0.28 . . -40.17 -58.42 1.48 Allowed 'General case' 0 CA--C 1.577 2.001 0 CA-C-N 124.071 3.123 . . . . 0.0 114.447 162.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . 0.315 51.7 mt-10 -48.28 -52.64 20.43 Favored 'General case' 0 N--CA 1.529 3.479 0 O-C-N 127.347 2.904 . . . . 0.0 115.651 173.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.384 0.0 OUTLIER -45.47 -51.39 11.67 Favored 'General case' 0 CA--C 1.583 2.218 0 N-CA-C 120.519 3.526 . . . . 0.0 120.519 170.106 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.625 ' HE1' HG22 ' A' ' 71' ' ' VAL . 50.1 m95 -61.5 -45.75 92.89 Favored 'General case' 0 N--CA 1.531 3.588 1 O-C-N 114.481 -5.137 . . . . 0.0 112.334 168.649 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.404 10.5 t30 151.29 81.72 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.529 1 O-C-N 129.651 4.345 . . . . 0.0 104.529 148.397 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 t -143.47 74.47 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.536 3.863 0 O-C-N 118.46 -2.65 . . . . 0.0 110.299 -173.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.405 1.9 pp20? -68.47 -1.29 6.26 Favored 'General case' 0 N--CA 1.522 3.127 0 N-CA-C 120.924 3.676 . . . . 0.0 120.924 138.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.19 123.74 7.82 Favored 'General case' 0 C--N 1.41 3.209 0 O-C-N 116.307 -3.996 . . . . 0.0 113.959 -164.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.43 ' N ' ' SD ' ' A' ' 80' ' ' MET 0.368 0.0 OUTLIER -65.81 114.97 18.46 Favored Pre-proline 0 N--CA 1.528 3.434 0 CA-C-N 111.26 -2.7 . . . . 0.0 106.52 159.981 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 80' ' ' MET . 80.8 Cg_endo -159.0 147.13 0.0 OUTLIER 'Cis proline' 1 C--N 1.425 4.594 0 CA-C-O 129.522 3.884 . . . . 0.0 117.917 -1.229 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.2 m -120.92 128.45 52.78 Favored 'General case' 0 CA--C 1.587 2.386 1 CA-C-N 106.859 -4.7 . . . . 0.0 107.982 -144.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -120.88 117.11 26.52 Favored 'General case' 0 C--O 1.286 3.011 2 O-C-N 134.18 7.175 . . . . 0.0 105.572 -177.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.3 mt -129.71 141.44 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.356 0 CA-C-O 126.704 3.145 . . . . 0.0 104.997 -163.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -131.67 112.83 12.9 Favored 'General case' 0 C--O 1.262 1.713 1 CA-C-N 107.134 -4.575 . . . . 0.0 103.045 -154.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.3 125.98 15.11 Favored 'General case' 0 C--N 1.414 3.405 0 CA-C-N 110.089 -3.232 . . . . 0.0 103.088 -166.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -130.42 178.15 6.82 Favored 'General case' 0 CA--C 1.592 2.573 0 CA-C-N 110.189 -3.187 . . . . 0.0 106.878 -169.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.361 4.1 p-10 -60.53 56.3 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.794 0 O-C-N 126.762 2.538 . . . . 0.0 115.536 164.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 170.11 45.06 0.03 OUTLIER Glycine 0 CA--C 1.577 3.951 0 CA-C-O 123.111 1.395 . . . . 0.0 116.494 169.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.439 ' HG3' ' H ' ' A' ' 91' ' ' LEU 0.471 0.1 OUTLIER 68.86 -167.79 0.18 Allowed 'General case' 0 N--CA 1.53 3.532 0 C-N-CA 127.932 2.493 . . . . 0.0 114.131 -173.372 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.439 ' H ' ' HG3' ' A' ' 90' ' ' LYS 0.328 12.2 tp -51.43 107.24 0.17 Allowed 'General case' 0 N--CA 1.5 2.033 0 C-N-CA 128.682 2.793 . . . . 0.0 112.055 171.427 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.251 27.4 m -84.88 -38.64 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.954 0 C-N-CA 128.306 2.642 . . . . 0.0 115.023 167.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.96 163.92 16.06 Favored 'General case' 0 N--CA 1.505 2.317 0 CA-C-N 123.525 2.875 . . . . 0.0 115.269 -174.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -155.94 131.64 9.72 Favored 'General case' 0 N--CA 1.421 -1.907 0 C-N-CA 127.288 2.235 . . . . 0.0 110.525 -176.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . 0.303 33.4 m -140.79 149.86 42.6 Favored 'General case' 0 N--CA 1.418 -2.048 1 N-CA-C 99.538 -4.245 . . . . 0.0 99.538 -170.569 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 p -150.21 97.76 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.263 1.772 0 CA-C-N 112.907 -1.951 . . . . 0.0 106.063 -176.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -171.22 -168.1 32.42 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 105.628 -2.989 . . . . 0.0 105.628 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -161.97 105.7 1.2 Allowed 'General case' 0 N--CA 1.528 3.427 0 N-CA-C 104.718 -2.327 . . . . 0.0 104.718 -174.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -151.49 125.61 9.26 Favored 'General case' 0 CA--C 1.576 1.966 0 CA-C-N 113.646 -1.616 . . . . 0.0 108.03 -171.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.478 51.8 pttt -49.16 -60.36 2.86 Favored 'General case' 0 N--CA 1.491 1.592 1 N-CA-C 124.301 4.926 . . . . 0.0 124.301 167.664 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.89 -39.68 61.36 Favored 'General case' 0 N--CA 1.526 3.34 0 C-N-CA 127.351 2.261 . . . . 0.0 115.318 167.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -44.7 -60.08 3.98 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 121.341 3.296 . . . . 0.0 121.341 173.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.6 tp -53.72 -60.36 7.38 Favored Pre-proline 0 CA--C 1.593 2.632 0 CA-C-O 115.521 -2.181 . . . . 0.0 115.299 172.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -43.14 -37.08 6.4 Favored 'Trans proline' 1 CA--C 1.642 5.916 0 C-N-CA 124.818 3.678 . . . . 0.0 121.431 159.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 92.5 m -64.86 -58.86 5.05 Favored 'General case' 0 N--CA 1.506 2.365 0 CA-C-O 114.605 -2.617 . . . . 0.0 110.035 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.2 tp -49.41 -50.08 42.08 Favored 'General case' 0 CA--C 1.585 2.289 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 169.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.297 93.2 t -63.27 -40.3 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.01 0 C-N-CA 125.739 1.615 . . . . 0.0 111.841 177.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.24 77.94 Favored 'General case' 0 C--N 1.387 2.199 0 O-C-N 118.469 -2.644 . . . . 0.0 113.702 165.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -59.88 -41.31 91.29 Favored 'General case' 0 CA--C 1.609 3.223 0 N-CA-C 117.357 2.355 . . . . 0.0 117.357 167.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -62.38 -62.72 1.56 Allowed 'General case' 0 N--CA 1.507 2.421 0 N-CA-C 117.528 2.418 . . . . 0.0 117.528 164.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.531 3.581 0 C-N-CA 128.476 2.711 . . . . 0.0 116.678 -177.852 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.25 16.3 pt-20 . . . . . 0 C--O 1.267 1.99 0 CA-C-O 123.008 1.385 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.17 172.21 50.16 Favored Glycine 0 CA--C 1.569 3.412 0 O-C-N 120.534 -1.354 . . . . 0.0 115.096 162.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -160.43 135.14 7.58 Favored 'General case' 0 CA--C 1.569 1.698 0 CA-C-N 119.66 1.73 . . . . 0.0 107.853 -169.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.0 t -90.96 121.88 41.79 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.123 0 N-CA-C 102.364 -3.199 . . . . 0.0 102.364 176.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.296 0.3 OUTLIER -115.61 125.1 72.68 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.732 0 N-CA-C 102.171 -3.27 . . . . 0.0 102.171 -176.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.77 136.67 57.61 Favored 'General case' 0 N--CA 1.516 2.862 0 CA-C-N 109.989 -3.278 . . . . 0.0 115.007 165.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.5 m -144.06 142.04 30.42 Favored 'General case' 0 CA--C 1.597 2.777 0 C-N-CA 128.146 2.578 . . . . 0.0 112.488 -171.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -151.87 -16.27 0.19 Allowed 'General case' 0 CA--C 1.598 2.821 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 -169.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.72 -171.28 3.77 Favored 'General case' 0 N--CA 1.532 3.635 0 O-C-N 118.981 -2.324 . . . . 0.0 111.468 -160.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.33 9.8 p -53.26 -33.47 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.658 0 CA-C-N 114.03 -1.441 . . . . 0.0 112.992 164.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -44.17 -56.59 3.97 Favored 'General case' 0 CA--C 1.575 1.915 0 O-C-N 118.64 -2.537 . . . . 0.0 114.907 170.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.05 -39.88 9.86 Favored 'General case' 2 N--CA 1.559 5.01 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 162.021 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -52.71 -43.71 65.85 Favored 'General case' 0 N--CA 1.533 3.689 0 CA-C-O 118.031 -0.985 . . . . 0.0 113.567 168.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -62.11 -53.45 55.19 Favored 'General case' 0 CA--C 1.583 2.224 0 N-CA-C 117.722 2.489 . . . . 0.0 117.722 162.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.311 38.0 mt-10 -51.62 -62.66 1.49 Allowed 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 128.082 2.553 . . . . 0.0 115.67 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -52.42 -61.65 2.14 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 117.295 2.332 . . . . 0.0 117.295 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -52.61 -61.96 1.95 Allowed 'General case' 0 CA--C 1.61 3.282 0 N-CA-C 117.463 2.394 . . . . 0.0 117.463 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.325 3.7 mm-40 -62.98 -46.58 87.0 Favored 'General case' 0 CA--C 1.579 2.092 0 N-CA-C 116.388 1.995 . . . . 0.0 116.388 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.288 5.5 mmtp -50.31 -66.57 0.37 Allowed 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 115.036 -2.411 . . . . 0.0 115.063 168.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.93 -94.84 0.01 OUTLIER Glycine 0 CA--C 1.555 2.558 0 N-CA-C 119.237 2.455 . . . . 0.0 119.237 165.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.387 2.3 ttmm -62.36 88.7 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 O-C-N 119.561 -2.141 . . . . 0.0 114.04 158.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.77 -49.77 0.34 Allowed Glycine 0 CA--C 1.554 2.525 0 CA-C-O 126.456 3.253 . . . . 0.0 111.369 163.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.6 m -92.75 123.31 35.94 Favored 'General case' 0 CA--C 1.566 1.582 0 C-N-CA 128.996 2.919 . . . . 0.0 105.742 -176.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -60.54 82.23 0.01 OUTLIER 'General case' 0 N--CA 1.531 3.617 0 CA-C-O 125.259 2.457 . . . . 0.0 108.249 170.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -169.96 163.36 9.46 Favored 'General case' 0 CA--C 1.583 2.23 0 CA-C-N 112.36 -2.2 . . . . 0.0 111.078 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.7 tp -84.4 155.0 22.49 Favored 'General case' 0 CA--C 1.6 2.892 0 C-N-CA 128.81 2.844 . . . . 0.0 107.433 166.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.497 HG22 ' HB ' ' A' ' 59' ' ' THR . 1.3 pt -146.61 139.57 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.363 1 N-CA-C 98.639 -4.578 . . . . 0.0 98.639 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.426 HG12 ' CE1' ' A' ' 85' ' ' PHE . 86.3 t -146.2 125.08 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 CA-C-N 112.672 -2.058 . . . . 0.0 108.308 -169.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.61 113.32 3.69 Favored 'Isoleucine or valine' 0 C--N 1.365 1.242 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.489 -154.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -70.12 149.17 47.87 Favored 'General case' 0 CA--C 1.556 1.181 1 CA-C-O 128.95 4.214 . . . . 0.0 116.004 160.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -137.06 107.89 6.64 Favored 'General case' 0 CA--C 1.584 2.288 1 N-CA-C 97.519 -4.993 . . . . 0.0 97.519 -175.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 t -156.03 146.72 21.95 Favored 'General case' 0 CA--C 1.594 2.659 0 N-CA-C 103.547 -2.76 . . . . 0.0 103.547 -169.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.84 130.37 34.9 Favored 'General case' 0 C--O 1.277 2.546 0 CA-C-N 110.195 -3.184 . . . . 0.0 108.196 169.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 t -43.55 -46.65 7.13 Favored 'General case' 1 CA--C 1.64 4.44 0 O-C-N 128.152 3.407 . . . . 0.0 117.64 172.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.9 p-90 -61.39 75.43 0.01 OUTLIER 'General case' 0 N--CA 1.534 3.76 0 O-C-N 120.534 -1.354 . . . . 0.0 113.67 161.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 42.1 t -163.95 84.44 1.28 Allowed Pre-proline 0 N--CA 1.514 2.754 0 O-C-N 120.578 -1.326 . . . . 0.0 109.469 -176.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.38 27.2 Cg_exo -50.07 -46.53 27.81 Favored 'Trans proline' 0 CA--C 1.59 3.287 0 C-N-CA 124.785 3.657 . . . . 0.0 118.388 169.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -46.28 -53.0 6.44 Favored 'Trans proline' 0 N--CA 1.496 1.628 1 C-N-CA 126.706 4.937 . . . . 0.0 116.687 167.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 51.8 m -66.21 -22.48 66.34 Favored 'General case' 0 C--O 1.282 2.802 0 N-CA-C 117.88 2.548 . . . . 0.0 117.88 165.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.339 42.8 tttp -60.57 -40.21 90.87 Favored 'General case' 0 N--CA 1.529 3.511 0 CA-C-O 125.203 2.43 . . . . 0.0 111.489 166.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.488 13.5 ptt? -66.74 -53.6 31.64 Favored 'General case' 0 CA--C 1.614 3.441 1 O-C-N 115.871 -4.268 . . . . 0.0 116.94 159.98 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.362 1.0 OUTLIER -47.98 -33.26 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.764 0 N-CA-C 120.094 3.368 . . . . 0.0 120.094 172.406 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.33 -49.87 91.17 Favored Pre-proline 0 CA--C 1.587 2.397 0 CA-C-O 113.986 -2.911 . . . . 0.0 118.166 167.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -50.26 -42.9 45.82 Favored 'Trans proline' 0 CA--C 1.601 3.859 0 N-CA-C 121.543 3.632 . . . . 0.0 121.543 155.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.372 35.7 mm -56.1 -49.91 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.29 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 171.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.34 65.9 t80 -54.35 -41.75 69.46 Favored 'General case' 0 CA--C 1.614 3.422 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 165.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.02 -47.89 75.86 Favored 'General case' 0 N--CA 1.515 2.807 0 N-CA-C 118.777 2.88 . . . . 0.0 118.777 168.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.31 -54.16 48.72 Favored 'General case' 0 N--CA 1.53 3.531 0 N-CA-C 116.34 1.978 . . . . 0.0 116.34 161.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.301 1.7 tm? -46.43 -47.79 18.94 Favored 'General case' 1 CA--C 1.63 4.057 0 N-CA-C 118.091 2.626 . . . . 0.0 118.091 163.277 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.28 -49.78 32.4 Favored 'General case' 0 N--CA 1.508 2.46 0 CA-C-N 119.89 1.223 . . . . 0.0 114.229 167.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -56.35 -46.31 80.05 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 172.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -54.43 -36.12 63.69 Favored 'General case' 0 N--CA 1.517 2.915 0 C-N-CA 127.125 2.17 . . . . 0.0 114.862 171.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -134.69 101.36 11.84 Favored Pre-proline 0 N--CA 1.499 2.006 0 O-C-N 126.179 2.175 . . . . 0.0 110.09 -156.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -82.43 -20.85 5.63 Favored 'Trans proline' 0 CA--C 1.6 3.777 1 C-N-CA 126.263 4.642 . . . . 0.0 117.846 172.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -57.49 0.03 0.06 Allowed 'General case' 1 C--O 1.316 4.567 1 O-C-N 115.601 -4.437 . . . . 0.0 118.721 173.674 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 p -149.51 119.92 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.95 0 O-C-N 127.537 3.023 . . . . 0.0 110.742 -154.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.497 ' HB ' HG22 ' A' ' 29' ' ' ILE . 42.7 m -75.37 158.3 32.96 Favored 'General case' 0 N--CA 1.501 2.075 0 C-N-CA 128.347 2.659 . . . . 0.0 109.807 167.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -149.15 136.97 20.5 Favored 'General case' 0 C--N 1.389 2.305 0 CA-C-O 125.647 2.642 . . . . 0.0 106.933 -169.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.282 0.6 OUTLIER -153.38 154.98 35.54 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 109.655 -3.429 . . . . 0.0 111.857 -175.836 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -144.91 116.58 8.16 Favored 'General case' 0 CA--C 1.598 2.826 0 CA-C-O 127.364 3.459 . . . . 0.0 105.724 -171.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.3 t -82.46 125.19 39.86 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.833 0 CA-C-N 110.666 -2.97 . . . . 0.0 111.603 170.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.41 104.0 0.46 Allowed 'General case' 0 CA--C 1.59 2.496 0 O-C-N 125.609 1.818 . . . . 0.0 112.6 152.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.08 -47.56 66.05 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.096 0 N-CA-C 118.279 2.696 . . . . 0.0 118.279 173.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.275 23.8 m-20 -38.88 -53.38 1.72 Allowed 'General case' 1 N--CA 1.569 5.52 0 O-C-N 119.252 -2.155 . . . . 0.0 112.104 171.812 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.8 -32.61 74.24 Favored 'General case' 0 CA--C 1.607 3.164 0 C-N-CA 129.935 3.294 . . . . 0.0 112.759 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.8 mt -148.69 57.21 1.04 Allowed 'General case' 0 N--CA 1.496 1.83 2 O-C-N 115.723 -4.361 . . . . 0.0 109.802 -169.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -72.53 -45.22 60.34 Favored 'General case' 0 C--O 1.265 1.869 0 C-N-CA 130.749 3.619 . . . . 0.0 118.14 174.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.02 -52.13 66.5 Favored 'General case' 1 N--CA 1.544 4.269 0 C-N-CA 127.065 2.146 . . . . 0.0 114.019 172.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.271 7.1 p -61.12 -50.08 82.0 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.444 0 N-CA-C 121.217 3.784 . . . . 0.0 121.217 170.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.02 -51.4 24.21 Favored 'General case' 0 CA--C 1.586 2.328 0 CA-C-O 124.601 2.143 . . . . 0.0 116.135 167.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 76' ' ' ASN . 35.9 mt-10 -55.22 -50.73 68.67 Favored 'General case' 0 C--N 1.389 2.297 0 CA-C-O 114.17 -2.824 . . . . 0.0 110.313 167.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.617 3.0 pt-20 -41.67 -55.52 2.93 Favored 'General case' 0 N--CA 1.532 3.628 0 N-CA-C 121.776 3.991 . . . . 0.0 121.776 167.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -57.1 -47.85 80.07 Favored 'General case' 0 N--CA 1.522 3.135 0 N-CA-C 117.648 2.462 . . . . 0.0 117.648 166.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 73' ' ' GLU 0.298 13.1 t30 149.69 83.98 0.0 OUTLIER 'General case' 0 N--CA 1.428 -1.534 0 CA-C-O 127.089 3.328 . . . . 0.0 104.751 148.224 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.4 t -147.59 91.76 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.597 2.763 0 O-C-N 116.549 -3.844 . . . . 0.0 105.247 -168.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.12 13.6 28.66 Favored 'General case' 0 C--O 1.27 2.156 0 O-C-N 118.814 -2.429 . . . . 0.0 114.493 157.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -153.64 134.64 13.93 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-O 127.282 3.42 . . . . 0.0 111.821 -168.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.39 117.4 68.04 Favored Pre-proline 0 N--CA 1.514 2.733 1 CA-C-N 108.15 -4.114 . . . . 0.0 106.739 160.798 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.544 55.2 Cg_endo -148.77 154.71 0.0 OUTLIER 'Cis proline' 0 N--CA 1.532 3.79 1 C-N-CA 115.934 -4.611 . . . . 0.0 116.036 -8.749 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.4 m -125.27 116.07 21.36 Favored 'General case' 0 CA--C 1.548 0.867 1 CA-C-N 106.992 -4.64 . . . . 0.0 109.425 -147.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -88.02 130.96 34.82 Favored 'General case' 0 C--N 1.29 -2.004 0 CA-C-N 110.376 -3.102 . . . . 0.0 114.614 160.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 mt -125.79 139.71 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.399 0 N-CA-C 100.328 -3.953 . . . . 0.0 100.328 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.426 ' CE1' HG12 ' A' ' 30' ' ' VAL . 94.1 m-85 -135.79 118.68 16.25 Favored 'General case' 0 CA--C 1.589 2.455 0 CA-C-N 111.108 -2.769 . . . . 0.0 107.199 -164.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.25 1.1 tm? -148.26 127.38 12.88 Favored 'General case' 0 C--N 1.392 2.454 1 N-CA-C 99.166 -4.383 . . . . 0.0 99.166 -164.899 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.294 24.2 tttt -109.16 172.86 6.6 Favored 'General case' 1 N--CA 1.555 4.806 0 C-N-CA 129.839 3.256 . . . . 0.0 112.432 173.777 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -52.68 16.54 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.305 1 N-CA-C 124.691 5.071 . . . . 0.0 124.691 156.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -149.77 43.99 0.73 Allowed Glycine 0 CA--C 1.542 1.769 0 C-N-CA 128.732 3.063 . . . . 0.0 112.378 -177.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.27 -171.75 0.17 Allowed 'General case' 0 CA--C 1.608 3.211 0 C-N-CA 130.497 3.519 . . . . 0.0 111.946 -177.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 tp -56.42 105.78 0.23 Allowed 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 127.834 2.454 . . . . 0.0 116.095 170.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.288 20.7 m -71.57 -55.61 13.11 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.969 0 CA-C-N 111.37 -2.65 . . . . 0.0 112.453 171.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.62 164.48 38.12 Favored 'General case' 0 C--N 1.419 3.628 0 CA-C-O 123.258 1.504 . . . . 0.0 112.225 -164.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.428 ' C ' ' HG1' ' A' ' 95' ' ' THR . 0.1 OUTLIER -152.3 130.18 11.72 Favored 'General case' 0 CA--C 1.594 2.668 0 C-N-CA 127.281 2.232 . . . . 0.0 109.609 -175.803 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.428 ' HG1' ' C ' ' A' ' 94' ' ' LYS . 37.9 m -159.91 151.62 20.12 Favored 'General case' 0 CA--C 1.598 2.811 0 C-N-CA 126.449 1.899 . . . . 0.0 107.119 -177.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.273 1.3 p -140.73 95.44 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 N-CA-C 102.74 -3.059 . . . . 0.0 102.74 -159.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -175.23 -175.7 42.89 Favored Glycine 0 N--CA 1.508 3.464 0 CA-C-O 125.849 2.916 . . . . 0.0 109.399 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.63 120.93 12.3 Favored 'General case' 0 CA--C 1.591 2.533 0 CA-C-N 110.534 -2.833 . . . . 0.0 111.0 -176.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -173.34 130.41 0.46 Allowed 'General case' 0 CA--C 1.569 1.678 0 C-N-CA 125.367 1.467 . . . . 0.0 112.108 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.295 56.7 pttt -42.82 -56.94 2.99 Favored 'General case' 1 CA--C 1.635 4.228 0 O-C-N 126.328 2.267 . . . . 0.0 114.922 173.244 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -79.62 -40.92 28.14 Favored 'General case' 0 CA--C 1.595 2.687 1 C-N-CA 134.698 5.199 . . . . 0.0 117.667 175.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -45.71 -59.52 4.83 Favored Glycine 1 CA--C 1.594 5.024 0 O-C-N 128.505 3.628 . . . . 0.0 114.153 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.26 22.1 tp -54.21 -47.42 97.41 Favored Pre-proline 0 N--CA 1.526 3.358 0 CA-C-O 113.209 -3.281 . . . . 0.0 117.392 171.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -50.09 -39.73 50.87 Favored 'Trans proline' 0 CA--C 1.579 2.754 0 N-CA-C 122.389 3.957 . . . . 0.0 122.389 159.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.357 35.5 m -64.32 -61.53 2.18 Favored 'General case' 0 CA--C 1.569 1.687 0 C-N-CA 130.32 3.448 . . . . 0.0 111.952 175.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 20.5 tp -49.91 -48.59 51.58 Favored 'General case' 0 CA--C 1.59 2.512 0 N-CA-C 120.886 3.661 . . . . 0.0 120.886 169.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.267 97.9 t -64.99 -50.16 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.592 0 C-N-CA 127.899 2.48 . . . . 0.0 113.591 169.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.66 -63.79 0.61 Allowed 'General case' 0 N--CA 1.508 2.431 0 CA-C-N 123.002 2.637 . . . . 0.0 115.851 166.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -42.17 -49.6 4.87 Favored 'General case' 0 N--CA 1.535 3.78 0 N-CA-C 118.746 2.869 . . . . 0.0 118.746 169.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -63.91 -68.29 0.36 Allowed 'General case' 0 C--N 1.399 2.747 0 C-N-CA 126.362 1.865 . . . . 0.0 111.025 170.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.198 -1.609 1 N-CA-C 125.254 5.279 . . . . 0.0 125.254 176.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 C--O 1.186 -2.281 0 CA-C-O 126.596 3.093 . . . . 0.0 108.894 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.3 155.71 53.14 Favored Glycine 0 N--CA 1.488 2.102 0 CA-C-N 108.433 -3.985 . . . . 0.0 110.769 167.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -151.23 134.53 16.09 Favored 'General case' 0 CA--C 1.582 2.188 0 CA-C-N 112.089 -2.055 . . . . 0.0 106.826 -170.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 t -108.12 115.06 48.17 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.435 0 C-N-CA 128.879 2.872 . . . . 0.0 103.975 175.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.329 0.2 OUTLIER -117.89 119.23 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 C-N-CA 131.47 3.908 . . . . 0.0 106.388 -173.577 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.16 130.2 37.51 Favored 'General case' 0 CA--C 1.556 1.188 0 N-CA-C 118.317 2.71 . . . . 0.0 118.317 166.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.2 m -144.36 139.34 28.41 Favored 'General case' 0 N--CA 1.514 2.748 0 O-C-N 119.457 -2.027 . . . . 0.0 112.566 -162.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -148.11 -22.65 0.35 Allowed 'General case' 0 CA--C 1.605 3.067 0 CA-C-N 113.854 -1.521 . . . . 0.0 112.637 -159.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.5 p -150.46 174.02 13.39 Favored 'General case' 0 N--CA 1.521 3.079 0 O-C-N 117.953 -2.967 . . . . 0.0 106.941 -152.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.352 10.4 p -49.34 -19.11 0.5 Allowed 'Isoleucine or valine' 1 CA--C 1.638 4.331 0 N-CA-C 117.686 2.476 . . . . 0.0 117.686 167.621 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -57.34 -44.26 84.12 Favored 'General case' 0 C--N 1.368 1.376 0 CA-C-O 114.396 -2.716 . . . . 0.0 111.866 166.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.402 0.6 OUTLIER -53.24 -41.56 65.57 Favored 'General case' 0 CA--C 1.611 3.297 0 CA-C-N 123.326 2.785 . . . . 0.0 117.497 161.551 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -54.39 -36.52 64.02 Favored 'General case' 0 CA--C 1.581 2.162 0 O-C-N 126.891 2.619 . . . . 0.0 115.818 166.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.251 48.9 mtmt -56.63 -62.47 1.71 Allowed 'General case' 0 C--O 1.269 2.123 0 CA-C-N 120.164 1.347 . . . . 0.0 113.716 162.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -48.2 -61.8 1.8 Allowed 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 119.259 3.059 . . . . 0.0 119.259 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -55.26 -59.86 4.19 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 125.761 1.624 . . . . 0.0 113.547 175.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.317 56.4 t80 -56.69 -55.04 39.11 Favored 'General case' 0 CA--C 1.582 2.207 0 CA-C-O 114.115 -2.85 . . . . 0.0 117.402 175.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.315 3.9 mm-40 -48.93 -57.65 6.12 Favored 'General case' 0 N--CA 1.513 2.682 0 N-CA-C 118.501 2.778 . . . . 0.0 118.501 167.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -56.09 -58.94 5.8 Favored 'General case' 0 CA--C 1.577 2.006 0 CA-C-N 121.892 2.133 . . . . 0.0 113.695 172.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.49 -82.19 0.04 OUTLIER Glycine 0 C--O 1.196 -2.241 0 C-N-CA 126.256 1.884 . . . . 0.0 115.883 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -90.17 89.05 7.49 Favored 'General case' 0 CA--C 1.605 3.074 0 C-N-CA 131.048 3.739 . . . . 0.0 109.166 165.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.41 -30.51 0.18 Allowed Glycine 1 CA--C 1.612 6.142 0 CA-C-N 111.559 -2.564 . . . . 0.0 111.023 166.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.33 70.0 m -120.62 131.49 54.64 Favored 'General case' 0 CA--C 1.589 2.452 0 C-N-CA 129.66 3.184 . . . . 0.0 107.596 -173.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.49 77.01 0.02 OUTLIER 'General case' 0 CA--C 1.597 2.763 0 CA-C-O 123.387 1.565 . . . . 0.0 111.915 166.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -160.65 161.96 32.56 Favored 'General case' 0 CA--C 1.607 3.138 0 CA-C-N 112.873 -1.967 . . . . 0.0 108.976 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.263 23.6 tp -87.81 149.11 24.36 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 110.766 -2.925 . . . . 0.0 115.212 162.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.331 0.6 OUTLIER -142.71 120.54 7.21 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.639 0 C-N-CA 131.243 3.817 . . . . 0.0 108.372 -177.235 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.1 t -128.02 120.36 53.5 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.153 0 CA-C-O 126.859 3.218 . . . . 0.0 105.636 -169.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.9 p -143.2 109.98 1.61 Allowed 'Isoleucine or valine' 1 CA--C 1.658 5.104 0 CA-C-N 111.214 -2.721 . . . . 0.0 109.133 -156.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -71.65 144.52 49.37 Favored 'General case' 0 CA--C 1.593 2.62 0 CA-C-N 112.217 -2.265 . . . . 0.0 114.827 168.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -137.14 100.29 4.23 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 102.404 -3.184 . . . . 0.0 102.404 -175.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.4 t -145.0 148.35 33.66 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 100.887 -3.746 . . . . 0.0 100.887 -165.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.338 . . -76.52 123.28 25.82 Favored 'General case' 0 CA--C 1.625 3.86 0 CA-C-N 112.121 -2.309 . . . . 0.0 108.714 153.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 t -34.87 -52.63 0.54 Allowed 'General case' 0 C--O 1.278 2.595 0 N-CA-C 119.311 3.078 . . . . 0.0 119.311 173.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.7 p-90 -56.43 88.53 0.01 OUTLIER 'General case' 1 N--CA 1.542 4.126 0 C-N-CA 129.035 2.934 . . . . 0.0 115.197 160.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.4 t -165.5 105.49 0.75 Allowed Pre-proline 0 N--CA 1.514 2.729 0 CA-C-O 116.039 -1.934 . . . . 0.0 106.32 -177.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.268 23.2 Cg_exo -57.36 -41.07 76.65 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 125.207 3.938 . . . . 0.0 117.815 161.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.407 33.8 Cg_exo -49.9 -54.65 5.11 Favored 'Trans proline' 0 C--N 1.412 3.882 1 C-N-CA 127.056 5.171 . . . . 0.0 116.312 164.922 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.405 ' SG ' ' HG3' ' A' ' 81' ' ' PRO 0.354 59.1 m -68.22 -16.52 64.01 Favored 'General case' 0 CA--C 1.563 1.473 0 N-CA-C 117.31 2.337 . . . . 0.0 117.31 165.727 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.394 33.6 tttp -58.57 -60.22 4.15 Favored 'General case' 0 N--CA 1.529 3.508 0 CA-C-N 122.493 2.406 . . . . 0.0 114.078 158.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.315 12.2 ptt? -47.73 -52.71 17.49 Favored 'General case' 0 C--N 1.406 3.047 1 O-C-N 115.909 -4.244 . . . . 0.0 119.02 163.431 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.404 ' HA ' ' HB ' ' A' ' 47' ' ' ILE 0.417 0.8 OUTLIER -48.1 -31.61 3.08 Favored 'Isoleucine or valine' 1 N--CA 1.555 4.806 0 N-CA-C 117.313 2.338 . . . . 0.0 117.313 164.717 . . . . . . . . 5 4 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.396 . . -53.3 -67.34 0.6 Allowed Pre-proline 0 CA--C 1.615 3.466 0 CA-C-N 122.934 2.606 . . . . 0.0 114.042 173.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -50.88 -42.48 51.57 Favored 'Trans proline' 1 CA--C 1.634 5.509 0 CA-C-O 113.423 -2.824 . . . . 0.0 118.644 160.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.404 ' HB ' ' HA ' ' A' ' 44' ' ' ILE 0.405 28.3 mm -51.51 -53.15 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 CA-C-N 122.089 2.222 . . . . 0.0 114.332 171.604 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -33.86 68.98 Favored 'General case' 0 N--CA 1.524 3.235 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 170.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.306 . . -76.31 -36.15 58.45 Favored 'General case' 0 N--CA 1.418 -2.033 1 N-CA-C 123.094 4.479 . . . . 0.0 123.094 169.023 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.79 -63.02 1.44 Allowed 'General case' 0 CA--C 1.578 2.044 0 C-N-CA 126.444 1.898 . . . . 0.0 110.179 162.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.6 -48.43 14.56 Favored 'General case' 0 CA--C 1.596 2.725 0 C-N-CA 128.199 2.6 . . . . 0.0 111.497 172.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.08 -46.98 72.18 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 119.163 3.023 . . . . 0.0 119.163 168.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -56.85 -35.02 68.38 Favored 'General case' 0 N--CA 1.515 2.777 0 O-C-N 125.919 2.012 . . . . 0.0 115.778 167.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.271 29.9 ttmt -63.1 -29.95 71.21 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 119.878 3.288 . . . . 0.0 119.878 171.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -131.17 96.8 21.09 Favored Pre-proline 0 CA--C 1.574 1.871 0 C-N-CA 129.537 3.135 . . . . 0.0 114.877 -158.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.353 12.8 Cg_endo -67.67 -39.23 12.27 Favored 'Trans proline' 0 CA--C 1.599 3.761 2 C-N-CA 130.494 7.463 . . . . 0.0 126.03 174.231 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.415 10.6 p30 -62.66 -6.01 3.19 Favored 'General case' 0 CA--C 1.609 3.235 0 C-N-CA 129.352 3.061 . . . . 0.0 118.104 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.254 2.5 p -144.49 112.15 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.617 3.536 0 N-CA-C 101.998 -3.334 . . . . 0.0 101.998 -153.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.5 m -72.59 148.92 44.43 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 113.014 -1.903 . . . . 0.0 115.065 158.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -140.26 137.58 34.35 Favored 'General case' 0 CA--C 1.6 2.867 0 CA-C-O 127.709 3.623 . . . . 0.0 108.731 -171.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.341 0.7 OUTLIER -154.8 156.7 36.73 Favored 'General case' 0 CA--C 1.565 1.555 0 CA-C-N 110.94 -2.845 . . . . 0.0 110.583 -174.161 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -147.47 105.7 3.76 Favored 'General case' 0 CA--C 1.607 3.139 0 CA-C-O 128.393 3.949 . . . . 0.0 105.887 -161.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.2 t -91.69 119.05 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.561 0 CA-C-N 111.138 -2.756 . . . . 0.0 108.432 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -62.12 103.73 0.4 Allowed 'General case' 0 CA--C 1.557 1.212 0 CA-C-O 126.855 3.217 . . . . 0.0 113.087 152.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 p -52.62 -42.31 40.18 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.283 0 N-CA-C 119.579 3.177 . . . . 0.0 119.579 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.346 8.6 m-20 -39.91 -49.87 2.45 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 117.411 2.375 . . . . 0.0 117.411 174.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -73.88 -14.78 61.13 Favored 'General case' 0 CA--C 1.591 2.528 0 N-CA-C 119.384 3.105 . . . . 0.0 119.384 167.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.7 mt -154.64 50.39 0.61 Allowed 'General case' 0 CA--C 1.581 2.165 0 CA-C-O 125.46 2.552 . . . . 0.0 116.57 -166.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.348 56.9 pttt -73.55 -39.05 65.01 Favored 'General case' 0 C--N 1.296 -1.732 1 C-N-CA 131.886 4.074 . . . . 0.0 114.927 174.483 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.48 -54.43 45.89 Favored 'General case' 0 CA--C 1.568 1.654 0 O-C-N 120.654 -1.279 . . . . 0.0 112.809 174.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.572 HG22 ' HE1' ' A' ' 75' ' ' TRP 0.298 11.1 p -58.32 -53.42 46.46 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.238 0 C-N-CA 127.271 2.228 . . . . 0.0 115.895 169.287 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.47 -54.27 7.68 Favored 'General case' 0 C--N 1.403 2.928 0 N-CA-C 120.428 3.492 . . . . 0.0 120.428 168.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -58.05 -47.92 81.66 Favored 'General case' 0 CA--C 1.597 2.762 1 CA-C-O 111.422 -4.132 . . . . 0.0 108.001 173.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.63 0.9 OUTLIER -46.11 -53.93 9.47 Favored 'General case' 0 C--N 1.42 3.636 0 N-CA-C 118.392 2.738 . . . . 0.0 118.392 171.012 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.572 ' HE1' HG22 ' A' ' 71' ' ' VAL 0.322 11.1 m95 -56.33 -46.99 79.66 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 119.723 3.231 . . . . 0.0 119.723 170.002 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 143.06 93.81 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.92 0 C-N-CA 128.131 2.572 . . . . 0.0 106.031 150.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.6 t -144.56 76.26 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.46 0 CA-C-N 110.937 -2.847 . . . . 0.0 114.53 -173.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -63.47 -29.64 70.89 Favored 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 116.76 2.133 . . . . 0.0 116.76 152.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -133.19 134.01 43.52 Favored 'General case' 0 N--CA 1.533 3.68 0 C-N-CA 130.523 3.529 . . . . 0.0 108.137 -153.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . 0.302 0.1 OUTLIER -80.04 129.68 69.27 Favored Pre-proline 0 C--N 1.398 2.682 0 C-N-CA 127.91 2.484 . . . . 0.0 107.825 163.344 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.405 ' HG3' ' SG ' ' A' ' 41' ' ' CYS 0.252 62.1 Cg_endo -143.6 141.65 0.0 OUTLIER 'Cis proline' 0 N--CA 1.519 3.02 1 CA-C-O 134.067 5.778 . . . . 0.0 116.958 -12.512 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -118.31 122.32 42.61 Favored 'General case' 0 C--N 1.271 -2.814 1 CA-C-N 104.032 -5.985 . . . . 0.0 112.275 -148.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -95.37 137.85 33.86 Favored 'General case' 0 CA--C 1.592 2.578 1 C-N-CA 134.192 4.997 . . . . 0.0 107.331 173.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 mp -131.7 128.1 59.88 Favored 'Isoleucine or valine' 0 C--O 1.302 3.854 1 CA-C-O 129.142 4.306 . . . . 0.0 106.849 -174.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -102.77 114.54 28.87 Favored 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 130.159 3.383 . . . . 0.0 105.33 -176.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.259 0.2 OUTLIER -139.08 124.95 19.75 Favored 'General case' 0 CA--C 1.609 3.214 1 N-CA-C 99.855 -4.128 . . . . 0.0 99.855 -168.561 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -125.45 171.66 10.3 Favored 'General case' 0 C--N 1.272 -2.78 0 C-N-CA 128.317 2.647 . . . . 0.0 109.016 -169.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -57.47 52.62 0.0 OUTLIER 'General case' 0 CA--C 1.602 2.944 0 O-C-N 116.86 -3.65 . . . . 0.0 116.493 145.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -177.06 41.51 0.1 OUTLIER Glycine 0 CA--C 1.57 3.497 0 CA-C-N 114.374 -1.285 . . . . 0.0 111.371 174.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.295 26.1 mtmt 56.74 -167.71 0.11 Allowed 'General case' 0 C--O 1.266 1.97 0 C-N-CA 128.718 2.807 . . . . 0.0 111.951 -175.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.6 tp -58.06 100.35 0.06 Allowed 'General case' 0 CA--C 1.58 2.11 0 CA-C-O 125.094 2.378 . . . . 0.0 111.641 171.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.8 m -76.71 -33.72 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.567 0 N-CA-C 120.291 3.441 . . . . 0.0 120.291 167.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.94 165.96 15.68 Favored 'General case' 0 C--N 1.409 3.19 0 CA-C-N 125.909 3.959 . . . . 0.0 113.054 -172.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -160.81 129.88 4.77 Favored 'General case' 0 C--N 1.381 1.959 0 CA-C-O 122.819 1.295 . . . . 0.0 112.36 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.5 m -149.59 140.45 22.78 Favored 'General case' 0 CA--C 1.591 2.557 0 CA-C-O 124.798 2.237 . . . . 0.0 107.631 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.262 0.2 OUTLIER -138.05 106.27 3.7 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.081 1 CA-C-N 107.204 -4.544 . . . . 0.0 104.421 -163.69 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 174.57 -148.88 10.08 Favored Glycine 0 N--CA 1.503 3.101 0 N-CA-C 105.08 -3.208 . . . . 0.0 105.08 169.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -166.57 101.83 0.59 Allowed 'General case' 0 CA--C 1.616 3.513 0 CA-C-N 110.943 -2.629 . . . . 0.0 108.956 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -146.87 118.82 8.16 Favored 'General case' 0 CA--C 1.573 1.854 0 N-CA-C 101.517 -3.512 . . . . 0.0 101.517 -174.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -46.21 -39.51 9.89 Favored 'General case' 0 N--CA 1.517 2.896 0 N-CA-C 118.463 2.764 . . . . 0.0 118.463 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.271 2.6 p30 -83.09 -46.65 12.54 Favored 'General case' 0 N--CA 1.52 3.047 0 C-N-CA 129.676 3.19 . . . . 0.0 115.024 171.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -44.1 -50.14 7.74 Favored Glycine 1 CA--C 1.579 4.068 0 N-CA-C 120.84 3.096 . . . . 0.0 120.84 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.4 tp -72.23 -60.54 2.19 Favored Pre-proline 0 CA--C 1.58 2.132 0 C-N-CA 130.146 3.378 . . . . 0.0 108.622 -176.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -44.18 -42.31 13.1 Favored 'Trans proline' 0 CA--C 1.562 1.887 0 CA-C-N 125.398 2.963 . . . . 0.0 118.983 166.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 21.3 m -60.24 -61.74 2.38 Favored 'General case' 0 CA--C 1.614 3.427 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 170.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 56.7 tp -42.13 -59.23 1.84 Allowed 'General case' 1 N--CA 1.544 4.275 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 170.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.1 t -55.33 -47.68 77.68 Favored 'Isoleucine or valine' 0 C--O 1.262 1.722 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 173.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.68 -47.02 20.44 Favored 'General case' 0 CA--C 1.569 1.689 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 168.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . 0.259 67.3 mttt -58.09 -45.27 87.46 Favored 'General case' 1 CA--C 1.631 4.087 0 O-C-N 119.563 -1.961 . . . . 0.0 115.004 172.448 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -70.02 -54.75 11.8 Favored 'General case' 0 N--CA 1.514 2.768 0 N-CA-C 120.022 3.342 . . . . 0.0 120.022 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.929 1 N-CA-C 122.626 4.306 . . . . 0.0 122.626 168.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 . . . . . 0 CA--C 1.595 2.694 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.8 -179.71 5.98 Favored Glycine 1 CA--C 1.449 -4.088 0 CA-C-O 119.102 -0.832 . . . . 0.0 113.243 158.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -161.48 138.0 8.32 Favored 'General case' 0 CA--C 1.591 2.528 0 N-CA-C 104.059 -2.571 . . . . 0.0 104.059 -176.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.1 t -97.98 117.36 42.67 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.565 0 C-N-CA 131.68 3.992 . . . . 0.0 109.156 174.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -136.15 112.23 12.49 Favored 'Isoleucine or valine' 1 CA--C 1.637 4.315 0 C-N-CA 126.104 1.762 . . . . 0.0 107.358 -164.679 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.02 144.28 34.86 Favored 'General case' 0 N--CA 1.405 -2.715 0 CA-C-N 112.557 -2.111 . . . . 0.0 116.38 169.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.0 m -145.07 134.85 23.54 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 111.41 -2.632 . . . . 0.0 111.849 -166.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -150.13 -11.98 0.26 Allowed 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 113.402 -3.19 . . . . 0.0 115.833 -162.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.2 p -158.05 -172.74 4.03 Favored 'General case' 0 CA--C 1.59 2.492 0 CA-C-N 122.86 2.573 . . . . 0.0 106.556 -162.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.7 p -59.15 -15.91 8.22 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.582 0 O-C-N 117.833 -3.042 . . . . 0.0 118.398 165.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.411 ' HD2' ' HE2' ' A' ' 16' ' ' LYS . 56.8 m-20 -50.97 -44.95 60.71 Favored 'General case' 0 CA--C 1.59 2.514 1 N-CA-C 122.018 4.081 . . . . 0.0 122.018 155.798 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.412 3.6 t -56.81 -33.83 67.1 Favored 'General case' 0 CA--C 1.613 3.401 0 N-CA-C 119.943 3.312 . . . . 0.0 119.943 158.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 28.5 m95 -54.03 -42.32 69.01 Favored 'General case' 0 CA--C 1.608 3.194 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 161.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HE2' ' HD2' ' A' ' 13' ' ' ASP . 36.5 mtmt -52.59 -56.02 18.27 Favored 'General case' 0 N--CA 1.523 3.191 0 C-N-CA 127.028 2.131 . . . . 0.0 112.347 162.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -57.57 -70.34 0.13 Allowed 'General case' 0 CA--C 1.574 1.889 1 N-CA-C 122.887 4.403 . . . . 0.0 122.887 170.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -51.86 -58.22 7.08 Favored 'General case' 0 N--CA 1.5 2.056 0 CA-C-O 125.417 2.532 . . . . 0.0 116.26 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -56.04 -57.42 12.2 Favored 'General case' 0 N--CA 1.482 1.132 1 N-CA-C 124.981 5.178 . . . . 0.0 124.981 171.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.347 1.7 mm-40 -63.55 -50.81 68.03 Favored 'General case' 0 CA--C 1.588 2.425 0 C-N-CA 129.757 3.223 . . . . 0.0 117.478 176.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.304 33.9 mmtp -51.6 -65.94 0.47 Allowed 'General case' 0 CA--C 1.592 2.592 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 155.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.0 -92.56 0.01 OUTLIER Glycine 0 N--CA 1.512 3.751 0 N-CA-C 117.479 1.751 . . . . 0.0 117.479 175.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -65.73 96.5 0.28 Allowed 'General case' 0 CA--C 1.61 3.287 0 CA-C-N 123.013 3.407 . . . . 0.0 108.069 156.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.96 -63.72 0.3 Allowed Glycine 0 CA--C 1.575 3.811 0 CA-C-N 110.506 -3.043 . . . . 0.0 112.371 162.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.5 m -85.51 124.13 31.73 Favored 'General case' 0 C--N 1.287 -2.148 1 CA-C-N 106.105 -5.047 . . . . 0.0 105.082 -176.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -67.86 78.09 0.21 Allowed 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 112.343 -2.208 . . . . 0.0 116.664 173.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -151.44 177.62 10.11 Favored 'General case' 0 C--N 1.382 1.982 0 C-N-CA 129.704 3.202 . . . . 0.0 108.322 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.0 tp -108.17 153.51 23.07 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 129.74 3.216 . . . . 0.0 106.316 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.365 2.8 pt -146.5 135.55 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.843 0 C-N-CA 129.346 3.058 . . . . 0.0 104.037 -176.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.5 t -140.69 129.57 25.3 Favored 'Isoleucine or valine' 0 C--O 1.266 1.957 1 N-CA-C 100.163 -4.014 . . . . 0.0 100.163 -168.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.383 7.1 p -144.35 115.59 2.3 Favored 'Isoleucine or valine' 1 N--CA 1.567 5.4 0 O-C-N 118.622 -2.549 . . . . 0.0 109.155 -154.857 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -76.79 141.81 40.59 Favored 'General case' 0 CA--C 1.581 2.143 0 CA-C-N 112.677 -2.056 . . . . 0.0 111.069 163.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -137.4 105.59 5.72 Favored 'General case' 0 CA--C 1.578 2.042 1 C-N-CA 132.306 4.242 . . . . 0.0 100.806 175.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.9 t -149.31 153.22 37.16 Favored 'General case' 0 C--N 1.283 -2.314 1 O-C-N 130.106 4.629 . . . . 0.0 103.416 -168.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.293 . . -77.81 139.08 39.28 Favored 'General case' 0 C--O 1.29 3.2 0 C-N-CA 127.714 2.405 . . . . 0.0 110.398 159.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.9 t -51.42 -38.85 55.68 Favored 'General case' 0 N--CA 1.525 3.281 0 CA-C-O 128.375 3.94 . . . . 0.0 118.851 169.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -72.85 84.25 1.22 Allowed 'General case' 0 C--N 1.279 -2.473 0 CA-C-N 110.28 -3.146 . . . . 0.0 115.978 170.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 41.9 t -166.04 92.62 0.82 Allowed Pre-proline 1 N--CA 1.543 4.206 0 CA-C-O 116.18 -1.867 . . . . 0.0 108.89 -173.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.34 33.1 Cg_exo -47.28 -45.32 22.46 Favored 'Trans proline' 0 N--CA 1.523 3.259 0 N-CA-C 118.065 2.294 . . . . 0.0 118.065 164.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -46.42 -56.99 2.5 Favored 'Trans proline' 0 CA--C 1.573 2.461 0 N-CA-C 118.255 2.367 . . . . 0.0 118.255 162.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.428 4.8 m -64.02 -23.97 67.54 Favored 'General case' 0 CA--C 1.574 1.869 0 N-CA-C 119.675 3.213 . . . . 0.0 119.675 170.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -57.57 -42.08 82.34 Favored 'General case' 0 N--CA 1.524 3.23 0 N-CA-C 117.471 2.397 . . . . 0.0 117.471 162.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.445 17.0 ptt? -63.83 -52.08 61.8 Favored 'General case' 0 CA--C 1.617 3.531 0 N-CA-C 119.355 3.094 . . . . 0.0 119.355 156.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.521 1.1 tp -43.66 -40.38 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.385 2.117 1 N-CA-C 121.812 4.005 . . . . 0.0 121.812 169.434 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.67 -62.88 3.81 Favored Pre-proline 0 C--O 1.265 1.889 1 CA-C-O 109.665 -4.969 . . . . 0.0 109.807 170.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -46.27 -39.95 21.63 Favored 'Trans proline' 0 CA--C 1.572 2.383 2 C-N-CA 127.772 5.648 . . . . 0.0 116.31 167.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.329 50.4 mm -55.37 -60.3 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 CA-C-N 122.518 2.417 . . . . 0.0 114.589 168.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -53.79 -36.27 62.25 Favored 'General case' 0 CA--C 1.623 3.766 0 C-N-CA 128.387 2.675 . . . . 0.0 110.762 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.68 -57.73 9.99 Favored 'General case' 0 C--N 1.368 1.384 0 N-CA-C 118.878 2.918 . . . . 0.0 118.878 162.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.66 -48.35 63.43 Favored 'General case' 0 C--O 1.261 1.688 0 O-C-N 117.909 -2.994 . . . . 0.0 117.347 168.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.92 -35.64 58.65 Favored 'General case' 0 CA--C 1.57 1.721 0 N-CA-C 117.362 2.356 . . . . 0.0 117.362 163.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . 0.272 . . -63.51 -47.82 80.12 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 126.859 2.063 . . . . 0.0 116.427 166.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -51.96 -34.49 42.37 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 117.762 2.504 . . . . 0.0 117.762 162.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.428 31.7 ttmt -64.97 -36.21 83.67 Favored 'General case' 0 C--N 1.392 2.437 0 N-CA-C 119.259 3.059 . . . . 0.0 119.259 169.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -130.99 89.8 41.42 Favored Pre-proline 0 CA--C 1.626 3.881 0 C-N-CA 130.095 3.358 . . . . 0.0 110.946 -154.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.385 63.0 Cg_endo -62.44 -34.66 75.63 Favored 'Trans proline' 1 CA--C 1.613 4.458 2 C-N-CA 130.91 7.74 . . . . 0.0 122.867 167.706 . . . . . . . . 4 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.418 HD22 ' HB1' ' A' ' 111' ' ' ALA 0.403 4.8 p30 -61.56 -11.7 12.32 Favored 'General case' 0 C--O 1.268 2.03 0 N-CA-C 121.37 3.841 . . . . 0.0 121.37 176.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.278 6.5 p -139.74 107.24 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 -145.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.8 m -65.57 157.61 29.31 Favored 'General case' 0 CA--C 1.584 2.28 0 N-CA-C 114.598 1.332 . . . . 0.0 114.598 161.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -149.58 126.96 11.46 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 108.855 -3.793 . . . . 0.0 106.679 -169.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.445 0.4 OUTLIER -143.01 147.58 35.35 Favored 'General case' 0 CA--C 1.609 3.223 0 CA-C-N 111.466 -2.606 . . . . 0.0 107.803 -168.349 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.455 33.3 pttt -139.07 108.53 6.15 Favored 'General case' 0 CA--C 1.622 3.746 0 N-CA-C 103.471 -2.789 . . . . 0.0 103.471 -170.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.5 t -89.63 127.38 42.3 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.35 0 CA-C-N 110.202 -3.181 . . . . 0.0 107.396 172.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -75.61 115.08 14.91 Favored 'General case' 0 C--N 1.39 2.343 0 CA-C-N 110.87 -2.877 . . . . 0.0 107.911 157.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.273 0.4 OUTLIER -53.93 -44.07 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 118.085 2.624 . . . . 0.0 118.085 163.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -50.96 -41.06 59.0 Favored 'General case' 1 N--CA 1.543 4.194 0 O-C-N 126.962 2.664 . . . . 0.0 115.557 171.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -47.59 80.47 Favored 'General case' 0 N--CA 1.514 2.746 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 155.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.4 mt -144.16 63.52 1.33 Allowed 'General case' 0 CA--C 1.605 3.094 1 CA-C-O 131.211 5.291 . . . . 0.0 111.984 -162.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.297 54.1 pttt -66.33 -47.51 73.26 Favored 'General case' 0 CA--C 1.573 1.854 0 CA-C-N 109.346 -3.57 . . . . 0.0 118.914 169.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.18 -60.05 3.92 Favored 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 118.565 2.802 . . . . 0.0 118.565 172.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.391 8.7 p -57.58 -50.25 77.87 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.741 0 CA-C-O 116.877 -1.535 . . . . 0.0 114.318 169.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.5 -48.15 38.24 Favored 'General case' 0 N--CA 1.506 2.332 0 CA-C-N 125.346 3.703 . . . . 0.0 118.403 172.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -52.05 -51.05 60.07 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-N 112.703 -2.044 . . . . 0.0 112.251 169.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.513 0.0 OUTLIER -48.19 -55.6 10.0 Favored 'General case' 0 N--CA 1.519 3.02 0 N-CA-C 119.057 2.984 . . . . 0.0 119.057 173.449 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -55.31 -50.36 69.78 Favored 'General case' 0 N--CA 1.514 2.735 0 O-C-N 126.8 2.562 . . . . 0.0 110.181 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.465 11.3 t30 150.86 88.42 0.0 OUTLIER 'General case' 0 C--O 1.263 1.808 0 C-N-CA 127.287 2.235 . . . . 0.0 107.318 154.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.3 t -147.9 83.72 0.11 Allowed 'Isoleucine or valine' 1 CA--C 1.648 4.75 1 N-CA-C 99.646 -4.205 . . . . 0.0 99.646 -166.332 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -81.67 7.44 12.36 Favored 'General case' 0 N--CA 1.424 -1.755 0 N-CA-C 119.808 3.262 . . . . 0.0 119.808 152.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -162.96 131.96 4.08 Favored 'General case' 1 CA--C 1.677 5.854 0 O-C-N 117.109 -3.494 . . . . 0.0 114.962 -171.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -75.06 112.87 20.05 Favored Pre-proline 0 CA--C 1.614 3.415 0 CA-C-O 112.591 -3.576 . . . . 0.0 112.682 165.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.378 96.1 Cg_endo -150.55 144.47 0.0 OUTLIER 'Cis proline' 0 C--N 1.396 3.03 0 N-CA-C 121.938 3.784 . . . . 0.0 121.938 -4.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.9 m -115.94 135.97 53.48 Favored 'General case' 0 N--CA 1.53 3.533 1 CA-C-N 107.62 -4.355 . . . . 0.0 107.198 -147.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -120.75 117.07 26.5 Favored 'General case' 0 N--CA 1.489 1.476 1 CA-C-N 106.424 -4.898 . . . . 0.0 101.733 -169.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.304 14.5 mt -126.75 135.54 63.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 2 CA-C-O 129.762 4.601 . . . . 0.0 106.11 -165.683 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -122.69 108.66 13.32 Favored 'General case' 0 CA--C 1.574 1.875 0 CA-C-N 109.736 -3.393 . . . . 0.0 105.87 -163.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.87 132.37 34.47 Favored 'General case' 0 N--CA 1.422 -1.826 0 CA-C-O 128.382 3.944 . . . . 0.0 104.78 -170.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' A' ' 89' ' ' GLY . 38.7 tttt -134.29 174.29 10.68 Favored 'General case' 0 CA--C 1.577 1.993 0 CA-C-N 111.142 -2.754 . . . . 0.0 111.319 -168.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.339 4.1 p-10 -57.97 44.94 0.0 OUTLIER 'General case' 0 CA--C 1.58 2.109 0 N-CA-C 120.556 3.539 . . . . 0.0 120.556 151.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 87' ' ' LYS . . . -176.69 51.16 0.11 Allowed Glycine 1 CA--C 1.593 4.962 0 C-N-CA 126.389 1.947 . . . . 0.0 110.129 175.511 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.272 18.9 mtmt 49.87 -157.11 0.09 Allowed 'General case' 0 C--N 1.426 3.921 0 C-N-CA 129.537 3.135 . . . . 0.0 113.543 -176.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.3 tp -60.65 105.49 0.45 Allowed 'General case' 0 CA--C 1.613 3.399 0 O-C-N 118.121 -2.862 . . . . 0.0 108.674 172.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.383 35.3 m -76.31 -43.38 36.72 Favored 'Isoleucine or valine' 0 C--O 1.275 2.443 0 CA-C-O 113.726 -3.035 . . . . 0.0 117.155 165.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -170.82 169.69 6.78 Favored 'General case' 0 C--O 1.271 2.195 0 CA-C-N 122.228 2.285 . . . . 0.0 112.515 -176.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -158.75 139.89 13.06 Favored 'General case' 0 CA--C 1.617 3.528 0 CA-C-O 125.375 2.512 . . . . 0.0 108.559 -176.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.4 m -154.39 152.78 30.6 Favored 'General case' 0 CA--C 1.576 1.973 1 CA-C-N 107.498 -4.41 . . . . 0.0 105.618 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.65 102.8 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.468 0 O-C-N 126.256 2.223 . . . . 0.0 110.906 -165.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -168.3 -141.26 3.14 Favored Glycine 0 C--O 1.288 3.502 0 C-N-CA 117.196 -2.43 . . . . 0.0 111.818 -174.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 177.45 114.55 0.03 OUTLIER 'General case' 0 N--CA 1.524 3.273 0 N-CA-C 100.322 -3.955 . . . . 0.0 100.322 169.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . 0.267 5.8 t0 -161.18 130.55 4.73 Favored 'General case' 0 N--CA 1.522 3.155 0 N-CA-C 102.74 -3.059 . . . . 0.0 102.74 -177.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.278 56.7 pttt -59.05 -53.58 56.75 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-N 109.099 -3.682 . . . . 0.0 116.831 172.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.319 3.2 p30 -71.39 -46.64 59.81 Favored 'General case' 0 N--CA 1.406 -2.647 0 O-C-N 118.937 -2.352 . . . . 0.0 113.024 168.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -42.21 -53.77 4.76 Favored Glycine 1 CA--C 1.594 4.97 1 N-CA-C 125.691 5.036 . . . . 0.0 125.691 179.973 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.06 -51.54 54.8 Favored Pre-proline 0 CA--C 1.585 2.304 0 CA-C-O 113.976 -2.916 . . . . 0.0 116.127 171.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -48.16 -38.26 32.51 Favored 'Trans proline' 0 CA--C 1.552 1.382 0 CA-C-N 127.33 3.654 . . . . 0.0 120.404 157.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.341 26.2 m -64.48 -54.35 33.9 Favored 'General case' 0 CA--C 1.592 2.588 0 O-C-N 119.082 -2.261 . . . . 0.0 113.955 175.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.0 tp -55.89 -38.07 69.69 Favored 'General case' 1 N--CA 1.542 4.173 0 N-CA-C 121.227 3.788 . . . . 0.0 121.227 167.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.47 -50.06 77.86 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.664 0 C-N-CA 129.696 3.198 . . . . 0.0 116.154 168.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.68 -55.87 19.51 Favored 'General case' 0 C--N 1.277 -2.585 0 C-N-CA 126.087 1.755 . . . . 0.0 111.046 171.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -47.25 -46.17 24.31 Favored 'General case' 0 CA--C 1.621 3.71 0 O-C-N 119.384 -2.073 . . . . 0.0 115.486 168.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.44 46.6 m-70 -64.38 -52.25 59.2 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 119.659 3.207 . . . . 0.0 119.659 173.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.418 ' HB1' HD22 ' A' ' 57' ' ' ASN . . . . . . . . 0 CA--C 1.592 2.589 0 CA-C-O 112.956 -3.402 . . . . 0.0 117.185 164.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 N--CA 1.517 2.915 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.36 157.51 53.46 Favored Glycine 0 C--N 1.374 2.655 0 CA-C-O 126.437 3.243 . . . . 0.0 113.494 157.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -149.45 133.77 17.4 Favored 'General case' 0 CA--C 1.592 2.587 0 CA-C-N 112.267 -1.967 . . . . 0.0 108.026 -170.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.7 t -95.16 128.19 46.54 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-O 126.956 3.265 . . . . 0.0 105.424 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.29 0.5 OUTLIER -126.93 120.61 56.14 Favored 'Isoleucine or valine' 0 CA--C 1.609 3.239 0 C-N-CA 129.632 3.173 . . . . 0.0 104.065 -173.197 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.413 ' O ' ' SG ' ' A' ' 9' ' ' CYS . . . -59.22 147.19 36.44 Favored 'General case' 0 N--CA 1.506 2.357 0 CA-C-O 124.439 2.066 . . . . 0.0 111.905 165.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 8' ' ' ALA . 78.6 m -150.36 135.66 17.94 Favored 'General case' 0 CA--C 1.594 2.639 0 C-N-CA 125.199 1.4 . . . . 0.0 113.026 -172.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -151.16 -14.45 0.21 Allowed 'General case' 0 C--N 1.387 2.227 0 O-C-N 126.624 2.453 . . . . 0.0 112.503 -164.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.2 p -146.5 -177.29 5.55 Favored 'General case' 0 CA--C 1.6 2.887 0 CA-C-N 123.131 2.696 . . . . 0.0 110.47 -155.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -55.6 -17.84 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.259 0 O-C-N 126.975 2.672 . . . . 0.0 117.656 154.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.97 -41.69 62.33 Favored 'General case' 0 CA--C 1.614 3.415 0 N-CA-C 116.252 1.945 . . . . 0.0 116.252 167.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.289 0.7 OUTLIER -62.64 -38.62 90.98 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 164.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -52.21 -49.96 62.9 Favored 'General case' 0 CA--C 1.569 1.681 0 O-C-N 118.635 -2.541 . . . . 0.0 114.628 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -58.46 -47.65 83.31 Favored 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 165.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.283 38.5 mt-10 -58.42 -65.08 0.71 Allowed 'General case' 0 CA--C 1.619 3.618 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 174.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -47.6 -64.74 0.71 Allowed 'General case' 0 CA--C 1.591 2.525 0 N-CA-C 117.895 2.554 . . . . 0.0 117.895 175.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.252 1.1 t80 -54.52 -59.36 4.8 Favored 'General case' 0 CA--C 1.62 3.67 0 N-CA-C 120.677 3.584 . . . . 0.0 120.677 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.18 -42.24 90.35 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -63.32 -63.08 1.29 Allowed 'General case' 0 CA--C 1.578 2.021 0 CA-C-N 122.219 2.281 . . . . 0.0 111.832 170.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.0 -75.75 0.2 Allowed Glycine 0 CA--C 1.569 3.411 0 O-C-N 120.897 -1.127 . . . . 0.0 115.475 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -79.73 91.31 5.28 Favored 'General case' 0 CA--C 1.62 3.657 0 CA-C-O 125.616 2.626 . . . . 0.0 106.511 161.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.4 -29.29 0.51 Allowed Glycine 0 C--O 1.293 3.817 0 N-CA-C 120.016 2.767 . . . . 0.0 120.016 162.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.1 m -119.29 138.26 53.13 Favored 'General case' 0 C--O 1.27 2.171 0 CA-C-N 110.87 -2.665 . . . . 0.0 106.188 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.341 0.2 OUTLIER -64.23 74.85 0.04 OUTLIER 'General case' 0 CA--C 1.592 2.594 0 CA-C-N 112.283 -2.235 . . . . 0.0 115.3 169.454 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.298 15.5 ptpt -158.54 154.03 26.0 Favored 'General case' 0 C--O 1.277 2.532 0 C-N-CA 126.553 1.941 . . . . 0.0 110.062 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 tp -86.17 153.52 21.99 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 124.628 2.156 . . . . 0.0 106.51 160.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.1 pt -149.5 137.53 14.31 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.723 0 N-CA-C 102.345 -3.206 . . . . 0.0 102.345 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.2 t -138.59 131.72 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 CA-C-N 110.473 -3.058 . . . . 0.0 105.737 -162.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.9 p -150.86 113.69 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.458 0 CA-C-O 123.345 1.545 . . . . 0.0 112.559 -158.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -77.15 133.14 39.05 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 129.542 3.137 . . . . 0.0 112.504 171.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -113.87 110.3 19.9 Favored 'General case' 0 C--O 1.276 2.472 0 CA-C-N 109.25 -3.614 . . . . 0.0 103.888 170.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -153.8 136.06 14.89 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 100.681 -3.822 . . . . 0.0 100.681 -171.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.25 153.8 39.26 Favored 'General case' 0 N--CA 1.388 -3.526 0 CA-C-N 109.8 -3.364 . . . . 0.0 116.979 150.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.1 t -55.34 -44.08 75.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 125.939 2.024 . . . . 0.0 115.42 162.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.403 40.5 p-90 -62.44 58.98 0.01 OUTLIER 'General case' 0 N--CA 1.525 3.309 1 CA-C-O 128.888 4.185 . . . . 0.0 115.994 165.536 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.4 t -153.95 81.02 4.8 Favored Pre-proline 0 N--CA 1.488 1.439 0 O-C-N 117.407 -3.308 . . . . 0.0 109.444 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.322 16.8 Cg_exo -47.35 -36.02 22.19 Favored 'Trans proline' 1 CA--C 1.619 4.746 0 N-CA-C 121.564 3.64 . . . . 0.0 121.564 160.932 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.78 -37.38 84.57 Favored 'Trans proline' 0 CA--C 1.584 3.003 0 C-N-CA 124.973 3.782 . . . . 0.0 120.422 158.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.463 72.9 m -75.53 -28.29 59.03 Favored 'General case' 0 CA--C 1.593 2.602 0 N-CA-C 119.926 3.306 . . . . 0.0 119.926 162.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.32 37.2 tttp -60.07 -39.17 85.11 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 166.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.447 9.7 ptt? -60.5 -47.93 83.99 Favored 'General case' 1 N--CA 1.544 4.247 0 N-CA-C 119.325 3.083 . . . . 0.0 119.325 153.619 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.603 1.1 tp -54.42 -42.9 60.89 Favored 'Isoleucine or valine' 0 C--O 1.283 2.856 1 N-CA-C 122.535 4.272 . . . . 0.0 122.535 178.512 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.85 -53.52 64.04 Favored Pre-proline 0 C--N 1.381 1.959 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 167.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -46.46 -41.86 23.12 Favored 'Trans proline' 0 CA--C 1.567 2.137 0 N-CA-C 121.206 3.502 . . . . 0.0 121.206 161.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mm -58.22 -60.46 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.647 0 O-C-N 117.729 -3.107 . . . . 0.0 113.766 164.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -44.99 -33.57 2.08 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 168.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.94 -51.9 42.3 Favored 'General case' 0 CA--C 1.587 2.384 0 O-C-N 118.505 -2.622 . . . . 0.0 115.137 166.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.01 -50.48 68.92 Favored 'General case' 0 N--CA 1.518 2.961 0 CA-C-O 115.9 -2.0 . . . . 0.0 115.804 171.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.0 -44.25 74.35 Favored 'General case' 1 CA--C 1.635 4.245 0 C-N-CA 126.201 1.8 . . . . 0.0 115.848 163.318 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.35 -43.76 75.33 Favored 'General case' 0 CA--C 1.617 3.524 0 O-C-N 119.119 -2.238 . . . . 0.0 116.328 171.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -58.06 -35.75 71.8 Favored 'General case' 0 CA--C 1.628 3.961 0 O-C-N 128.435 3.584 . . . . 0.0 117.003 166.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -63.24 -40.82 98.51 Favored 'General case' 0 CA--C 1.582 2.184 0 O-C-N 119.586 -1.946 . . . . 0.0 114.654 173.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -131.82 81.05 64.18 Favored Pre-proline 0 CA--C 1.609 3.247 0 O-C-N 126.629 2.455 . . . . 0.0 105.791 -147.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -56.67 -38.1 96.33 Favored 'Trans proline' 0 C--N 1.386 2.539 1 C-N-CA 125.521 4.147 . . . . 0.0 122.272 177.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.495 HD22 ' HB1' ' A' ' 111' ' ' ALA 0.295 9.3 p30 -57.27 1.1 0.04 OUTLIER 'General case' 0 CA--C 1.606 3.114 0 N-CA-C 118.821 2.897 . . . . 0.0 118.821 -178.584 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.485 3.2 p -140.19 110.16 3.71 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.687 0 C-N-CA 126.711 2.004 . . . . 0.0 115.501 -152.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . 0.286 90.8 m -64.97 143.31 58.04 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 118.199 -2.813 . . . . 0.0 113.661 161.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -138.64 129.48 26.53 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 126.653 3.12 . . . . 0.0 106.211 -169.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.277 0.6 OUTLIER -152.19 156.1 39.11 Favored 'General case' 0 C--N 1.36 1.056 0 O-C-N 118.684 -2.51 . . . . 0.0 108.524 -171.24 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -148.98 113.85 5.41 Favored 'General case' 0 N--CA 1.526 3.375 0 O-C-N 118.916 -2.365 . . . . 0.0 106.202 -164.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . 0.326 44.4 t -92.47 109.97 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.619 3.611 0 O-C-N 127.447 2.967 . . . . 0.0 108.964 -174.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -70.27 99.45 1.54 Allowed 'General case' 0 CA--C 1.583 2.216 0 N-CA-C 103.426 -2.805 . . . . 0.0 103.426 163.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.327 0.3 OUTLIER -53.86 -30.12 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.931 1 N-CA-C 123.007 4.447 . . . . 0.0 123.007 176.248 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.51 -44.33 62.54 Favored 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 117.211 2.3 . . . . 0.0 117.211 171.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.345 10.0 mm-40 -59.16 -42.26 90.32 Favored 'General case' 0 CA--C 1.625 3.842 0 N-CA-C 120.199 3.407 . . . . 0.0 120.199 162.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.5 mt -139.91 52.19 1.7 Allowed 'General case' 1 CA--C 1.641 4.48 0 CA-C-O 125.067 2.365 . . . . 0.0 109.691 -153.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -76.2 -41.58 49.03 Favored 'General case' 0 C--O 1.252 1.211 0 CA-C-O 113.886 -2.959 . . . . 0.0 118.624 172.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.92 -57.0 11.77 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 128.622 3.701 . . . . 0.0 115.128 173.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.9 p -58.12 -50.19 79.02 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.881 1 N-CA-C 123.413 4.598 . . . . 0.0 123.413 163.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.92 -55.65 2.44 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 117.581 2.437 . . . . 0.0 117.581 163.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -47.06 -54.78 9.55 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-O 112.975 -3.393 . . . . 0.0 117.938 164.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.472 2.1 pt-20 -49.14 -51.02 34.72 Favored 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 175.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -58.64 -49.85 76.01 Favored 'General case' 0 C--N 1.377 1.783 0 CA-C-O 113.072 -3.346 . . . . 0.0 115.166 165.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.8 t30 157.34 84.51 0.0 OUTLIER 'General case' 0 CA--C 1.599 2.837 0 CA-C-N 123.545 2.884 . . . . 0.0 106.283 153.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.0 t -150.91 94.34 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.186 -2.254 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 -164.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.59 -5.91 56.75 Favored 'General case' 0 N--CA 1.526 3.364 0 C-N-CA 131.237 3.815 . . . . 0.0 112.742 164.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.57 131.59 19.27 Favored 'General case' 0 CA--C 1.604 3.049 0 O-C-N 125.547 1.779 . . . . 0.0 114.196 -152.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.77 115.09 32.25 Favored Pre-proline 0 N--CA 1.512 2.637 0 CA-C-O 114.86 -2.495 . . . . 0.0 111.499 152.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -150.71 143.97 0.0 OUTLIER 'Cis proline' 1 C--N 1.443 5.502 1 CA-C-O 133.537 5.557 . . . . 0.0 120.212 -4.353 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.4 m -126.57 135.04 50.74 Favored 'General case' 0 C--O 1.279 2.609 0 CA-C-N 109.185 -3.643 . . . . 0.0 106.311 -140.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -132.39 106.25 7.77 Favored 'General case' 0 N--CA 1.499 2.003 0 CA-C-N 108.814 -3.812 . . . . 0.0 108.867 -165.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.382 17.6 mt -109.9 146.24 15.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 1 C-N-CA 132.357 4.263 . . . . 0.0 106.647 -171.541 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -136.57 104.72 5.65 Favored 'General case' 0 CA--C 1.582 2.177 0 CA-C-N 108.575 -3.92 . . . . 0.0 104.577 -159.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.48 125.76 35.19 Favored 'General case' 0 CA--C 1.586 2.339 2 N-CA-C 96.019 -5.549 . . . . 0.0 96.019 -166.035 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.401 ' C ' ' H ' ' A' ' 89' ' ' GLY . 56.4 tttt -118.28 172.3 7.54 Favored 'General case' 0 CA--C 1.568 1.663 1 CA-C-N 106.328 -4.942 . . . . 0.0 111.398 -179.199 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.333 5.1 p-10 -59.7 47.45 0.01 OUTLIER 'General case' 0 CA--C 1.626 3.868 0 N-CA-C 119.636 3.199 . . . . 0.0 119.636 148.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 87' ' ' LYS . . . -167.26 30.93 0.19 Allowed Glycine 0 N--CA 1.513 3.785 0 O-C-N 127.733 3.145 . . . . 0.0 112.01 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.474 48.0 mtmt 59.57 -151.22 0.42 Allowed 'General case' 1 CA--C 1.64 4.412 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -165.552 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.5 tp -72.87 89.92 1.42 Allowed 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.367 22.8 m -63.63 -29.24 46.75 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 N-CA-C 118.756 2.872 . . . . 0.0 118.756 171.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -165.82 170.04 14.32 Favored 'General case' 0 CA--C 1.573 1.828 0 CA-C-N 121.685 2.039 . . . . 0.0 112.718 -177.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -165.95 130.96 2.35 Favored 'General case' 0 CA--C 1.576 1.954 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 176.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 87.1 m -145.74 157.63 43.92 Favored 'General case' 0 CA--C 1.619 3.61 0 N-CA-C 102.717 -3.068 . . . . 0.0 102.717 -172.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.278 0.2 OUTLIER -150.17 107.9 0.43 Allowed 'Isoleucine or valine' 0 C--O 1.292 3.32 0 N-CA-C 100.939 -3.726 . . . . 0.0 100.939 -168.405 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -179.27 -158.01 20.77 Favored Glycine 0 C--N 1.393 3.705 0 CA-C-N 114.023 -1.444 . . . . 0.0 109.968 174.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -167.34 116.67 0.83 Allowed 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -161.57 122.18 2.69 Favored 'General case' 0 CA--C 1.602 2.969 0 C-N-CA 127.299 2.24 . . . . 0.0 108.44 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.326 38.2 pttt -45.28 -33.4 2.39 Favored 'General case' 1 CA--C 1.639 4.402 1 N-CA-C 123.065 4.469 . . . . 0.0 123.065 170.908 . . . . . . . . 4 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -105.55 -47.07 4.01 Favored 'General case' 0 CA--C 1.561 1.402 1 C-N-CA 132.397 4.279 . . . . 0.0 114.652 -176.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -49.72 -43.57 38.1 Favored Glycine 0 CA--C 1.544 1.879 0 O-C-N 126.449 2.343 . . . . 0.0 117.917 173.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.429 34.4 tp -62.3 -60.73 9.24 Favored Pre-proline 0 N--CA 1.501 2.09 1 CA-C-O 111.588 -4.053 . . . . 0.0 110.899 171.756 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . 0.252 32.3 Cg_exo -44.49 -41.88 14.06 Favored 'Trans proline' 1 CA--C 1.608 4.18 0 C-N-CA 124.836 3.691 . . . . 0.0 114.82 170.897 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.322 37.0 m -58.2 -47.23 84.11 Favored 'General case' 0 CA--C 1.593 2.627 0 N-CA-C 118.517 2.784 . . . . 0.0 118.517 174.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.305 49.6 tp -60.13 -61.36 2.66 Favored 'General case' 0 CA--C 1.564 1.482 0 CA-C-N 108.899 -3.773 . . . . 0.0 113.075 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 51.7 t -58.32 -36.86 60.12 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.614 0 N-CA-C 117.689 2.477 . . . . 0.0 117.689 169.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.09 -57.34 4.55 Favored 'General case' 0 CA--C 1.562 1.423 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 162.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -52.33 -49.27 64.61 Favored 'General case' 0 CA--C 1.579 2.064 0 N-CA-C 120.672 3.582 . . . . 0.0 120.672 166.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -60.6 -59.66 5.04 Favored 'General case' 0 CA--C 1.602 2.943 0 C-N-CA 126.71 2.004 . . . . 0.0 112.446 171.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.495 ' HB1' HD22 ' A' ' 57' ' ' ASN . . . . . . . . 0 CA--C 1.581 2.135 0 N-CA-C 118.778 2.881 . . . . 0.0 118.778 171.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 CA--C 1.576 1.968 0 CA-C-O 119.177 -0.44 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.01 174.99 51.14 Favored Glycine 1 N--CA 1.532 5.067 1 O-C-N 129.167 4.042 . . . . 0.0 111.486 163.035 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -159.28 126.52 4.74 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 125.197 2.427 . . . . 0.0 107.733 -171.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.3 t -84.47 124.46 39.85 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.392 0 C-N-CA 129.792 3.237 . . . . 0.0 111.001 170.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.41 0.3 OUTLIER -126.13 114.52 38.96 Favored 'Isoleucine or valine' 1 CA--C 1.63 4.027 0 C-N-CA 130.268 3.427 . . . . 0.0 112.601 -179.629 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.41 137.38 52.97 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 118.388 -2.695 . . . . 0.0 112.557 165.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.1 m -149.28 131.11 15.13 Favored 'General case' 0 N--CA 1.493 1.724 1 CA-C-O 128.517 4.008 . . . . 0.0 106.696 -161.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -145.79 -15.38 0.48 Allowed 'General case' 0 CA--C 1.577 2.006 0 O-C-N 118.585 -2.572 . . . . 0.0 117.652 -160.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.9 p -149.79 -170.67 3.7 Favored 'General case' 0 CA--C 1.595 2.681 0 C-N-CA 125.205 1.402 . . . . 0.0 108.223 -163.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.256 8.4 p -61.09 -12.19 5.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 N-CA-C 120.17 3.396 . . . . 0.0 120.17 161.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.59 -54.69 33.89 Favored 'General case' 0 N--CA 1.523 3.182 0 O-C-N 119.869 -1.77 . . . . 0.0 114.825 163.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.268 1.1 t -48.43 -41.82 30.48 Favored 'General case' 0 CA--C 1.578 2.052 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 165.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -52.59 -50.54 62.82 Favored 'General case' 0 CA--C 1.567 1.621 0 O-C-N 118.214 -2.804 . . . . 0.0 112.222 173.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.297 29.6 mtmt -48.28 -51.56 25.22 Favored 'General case' 0 CA--C 1.599 2.831 0 N-CA-C 118.306 2.706 . . . . 0.0 118.306 164.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -65.33 -60.55 2.85 Favored 'General case' 0 N--CA 1.535 3.782 0 N-CA-C 115.219 1.563 . . . . 0.0 115.219 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -51.49 -62.25 1.74 Allowed 'General case' 0 CA--C 1.591 2.546 0 C-N-CA 126.956 2.102 . . . . 0.0 114.265 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.89 -58.76 6.28 Favored 'General case' 0 CA--C 1.62 3.648 0 N-CA-C 120.128 3.381 . . . . 0.0 120.128 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.311 52.3 mm-40 -54.6 -47.08 73.82 Favored 'General case' 0 N--CA 1.509 2.507 0 CA-C-O 115.251 -2.309 . . . . 0.0 114.266 168.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -52.35 -60.19 3.52 Favored 'General case' 0 CA--C 1.617 3.527 0 CA-C-N 122.109 2.231 . . . . 0.0 116.078 165.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.36 -86.61 0.02 OUTLIER Glycine 0 N--CA 1.491 2.313 0 C-N-CA 125.129 1.347 . . . . 0.0 116.174 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -75.84 99.39 4.45 Favored 'General case' 0 C--O 1.196 -1.737 0 CA-C-O 125.083 2.373 . . . . 0.0 105.103 163.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.16 -48.46 0.48 Allowed Glycine 1 CA--C 1.623 6.797 0 C-N-CA 126.912 2.196 . . . . 0.0 112.994 161.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m -92.91 122.71 35.56 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 128.447 2.699 . . . . 0.0 105.174 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -58.87 77.51 0.01 OUTLIER 'General case' 0 N--CA 1.521 3.109 0 CA-C-O 125.471 2.558 . . . . 0.0 113.233 169.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -165.05 171.35 14.0 Favored 'General case' 0 C--O 1.273 2.301 0 CA-C-N 113.522 -1.672 . . . . 0.0 109.358 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.2 tp -94.26 150.58 20.17 Favored 'General case' 0 CA--C 1.604 3.028 0 CA-C-O 126.633 3.111 . . . . 0.0 107.394 165.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.292 1.0 OUTLIER -139.97 144.18 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.856 1 CA-C-N 107.802 -4.272 . . . . 0.0 102.718 178.683 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.7 t -146.02 136.06 18.02 Favored 'Isoleucine or valine' 0 C--O 1.249 1.076 0 O-C-N 126.727 2.517 . . . . 0.0 106.808 -171.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.419 HG22 ' CE2' ' A' ' 33' ' ' PHE . 6.0 p -152.48 116.7 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.403 2.917 0 CA-C-O 125.121 2.391 . . . . 0.0 113.857 -164.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -78.41 129.61 35.14 Favored 'General case' 0 CA--C 1.569 1.689 0 CA-C-O 125.982 2.801 . . . . 0.0 106.797 168.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.419 ' CE2' HG22 ' A' ' 31' ' ' VAL . 86.8 m-85 -114.85 103.55 11.06 Favored 'General case' 0 CA--C 1.594 2.66 1 N-CA-C 99.425 -4.287 . . . . 0.0 99.425 169.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.404 ' HG1' ' HB2' ' A' ' 41' ' ' CYS . 11.1 t -148.81 150.51 33.17 Favored 'General case' 0 C--O 1.264 1.857 0 N-CA-C 101.054 -3.684 . . . . 0.0 101.054 -169.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.52 152.49 22.17 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 128.175 2.59 . . . . 0.0 111.088 172.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.6 t -56.13 -39.06 71.67 Favored 'General case' 0 CA--C 1.582 2.18 0 N-CA-C 117.867 2.544 . . . . 0.0 117.867 158.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -62.07 71.84 0.02 OUTLIER 'General case' 0 C--O 1.193 -1.89 0 N-CA-C 117.367 2.358 . . . . 0.0 117.367 154.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.0 t -168.63 96.67 0.55 Allowed Pre-proline 1 N--CA 1.544 4.273 0 C-N-CA 127.514 2.325 . . . . 0.0 112.914 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -65.38 -44.38 9.03 Favored 'Trans proline' 0 N--CA 1.531 3.695 1 C-N-CA 126.924 5.083 . . . . 0.0 112.613 165.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -46.78 -49.71 11.85 Favored 'Trans proline' 0 CA--C 1.583 2.928 0 N-CA-C 121.851 3.751 . . . . 0.0 121.851 165.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.404 ' HB2' ' HG1' ' A' ' 34' ' ' THR 0.454 60.4 m -70.79 -18.02 62.76 Favored 'General case' 0 N--CA 1.508 2.434 1 N-CA-C 121.822 4.008 . . . . 0.0 121.822 159.749 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -55.84 -53.88 51.37 Favored 'General case' 0 N--CA 1.52 3.047 0 O-C-N 118.419 -2.676 . . . . 0.0 114.859 160.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.323 24.9 ptt? -59.85 -40.37 88.34 Favored 'General case' 0 N--CA 1.525 3.291 0 N-CA-C 118.707 2.855 . . . . 0.0 118.707 163.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.593 1.0 OUTLIER -52.18 -35.07 18.72 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.202 0 N-CA-C 119.853 3.279 . . . . 0.0 119.853 163.405 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.268 . . -48.59 -73.0 0.12 Allowed Pre-proline 0 N--CA 1.524 3.27 0 O-C-N 118.765 -2.46 . . . . 0.0 111.167 169.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -46.58 -33.61 13.53 Favored 'Trans proline' 0 N--CA 1.501 1.963 1 N-CA-C 125.946 5.325 . . . . 0.0 125.946 162.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.527 19.4 mm -51.49 -63.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.378 1.813 0 N-CA-C 119.086 2.995 . . . . 0.0 119.086 163.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.33 68.3 t80 -46.7 -42.84 17.2 Favored 'General case' 0 CA--C 1.605 3.093 0 CA-C-N 110.413 -3.085 . . . . 0.0 115.063 171.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.333 . . -56.52 -52.77 63.51 Favored 'General case' 0 CA--C 1.612 3.33 1 N-CA-C 124.608 5.04 . . . . 0.0 124.608 160.214 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -59.6 -51.42 69.89 Favored 'General case' 0 C--N 1.378 1.836 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 171.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.281 1.2 tm? -51.98 -40.35 60.79 Favored 'General case' 0 N--CA 1.509 2.488 0 N-CA-C 117.079 2.251 . . . . 0.0 117.079 161.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.43 -36.57 73.82 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 117.884 2.55 . . . . 0.0 117.884 166.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -66.06 -34.96 79.26 Favored 'General case' 1 N--CA 1.552 4.651 0 N-CA-C 117.798 2.518 . . . . 0.0 117.798 167.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -69.68 -28.76 66.12 Favored 'General case' 0 CA--C 1.574 1.866 0 CA-C-N 110.877 -2.874 . . . . 0.0 116.528 172.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -137.04 102.8 9.05 Favored Pre-proline 0 CA--C 1.627 3.916 0 C-N-CA 131.486 3.914 . . . . 0.0 111.77 -159.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.353 0.3 OUTLIER -64.37 -38.67 33.02 Favored 'Trans proline' 0 C--N 1.41 3.796 2 N-CA-C 131.61 7.504 . . . . 0.0 131.61 175.442 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.496 HD22 ' HB1' ' A' ' 111' ' ' ALA 0.286 9.4 p30 -65.11 2.08 0.85 Allowed 'General case' 0 N--CA 1.515 2.815 0 C-N-CA 131.337 3.855 . . . . 0.0 115.875 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.306 7.4 p -144.49 102.13 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.609 3.218 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -148.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . 0.33 11.9 m -62.89 154.56 29.81 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 118.794 2.887 . . . . 0.0 118.794 149.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -145.79 132.61 20.07 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 112.324 -2.217 . . . . 0.0 107.365 -165.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.51 151.38 29.75 Favored 'General case' 0 C--N 1.365 1.259 0 N-CA-C 104.315 -2.476 . . . . 0.0 104.315 -165.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.286 44.7 pttt -144.77 113.67 6.84 Favored 'General case' 0 C--O 1.262 1.713 0 C-N-CA 125.755 1.622 . . . . 0.0 109.961 -170.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.5 t -89.46 113.34 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.75 1 C-N-CA 132.585 4.354 . . . . 0.0 110.898 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -59.46 104.72 0.29 Allowed 'General case' 0 N--CA 1.519 3.006 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 151.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.9 p -56.09 -43.6 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.724 0 C-N-CA 125.255 1.422 . . . . 0.0 114.757 174.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -45.7 -38.03 6.44 Favored 'General case' 0 N--CA 1.519 2.986 0 CA-C-N 122.221 2.282 . . . . 0.0 113.518 172.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -63.2 -48.07 79.89 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 125.388 1.475 . . . . 0.0 114.26 166.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.7 mt -139.45 52.91 1.72 Allowed 'General case' 0 CA--C 1.581 2.141 0 C-N-CA 129.12 2.968 . . . . 0.0 111.362 -157.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -73.74 -49.23 26.55 Favored 'General case' 0 CA--C 1.582 2.205 0 C-N-CA 128.754 2.821 . . . . 0.0 110.016 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.93 -57.07 7.05 Favored 'General case' 0 C--N 1.397 2.651 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.532 HG22 ' HE1' ' A' ' 75' ' ' TRP 0.412 12.3 p -52.44 -50.36 39.24 Favored 'Isoleucine or valine' 0 C--N 1.378 1.829 0 N-CA-C 121.001 3.704 . . . . 0.0 121.001 161.079 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.92 -49.66 29.34 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 117.751 -3.093 . . . . 0.0 112.901 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -53.67 -53.6 49.68 Favored 'General case' 0 N--CA 1.503 2.181 0 CA-C-O 113.312 -3.232 . . . . 0.0 109.943 170.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.798 1.2 pt-20 -44.61 -58.59 2.93 Favored 'General case' 0 C--O 1.275 2.431 0 N-CA-C 120.234 3.42 . . . . 0.0 120.234 175.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.532 ' HE1' HG22 ' A' ' 71' ' ' VAL . 42.3 m95 -58.0 -43.29 86.55 Favored 'General case' 0 N--CA 1.497 1.924 1 O-C-N 115.357 -4.59 . . . . 0.0 115.221 171.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.292 8.9 t30 146.53 86.73 0.0 OUTLIER 'General case' 0 CA--C 1.614 3.416 0 CA-C-O 126.083 2.849 . . . . 0.0 103.486 146.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . 0.387 7.4 t -134.45 73.78 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.611 3.321 0 CA-C-N 112.323 -2.217 . . . . 0.0 110.636 -174.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.297 0.0 OUTLIER -64.47 -19.74 65.75 Favored 'General case' 0 CA--C 1.587 2.387 0 N-CA-C 120.804 3.631 . . . . 0.0 120.804 148.184 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.04 141.49 23.37 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 124.044 1.878 . . . . 0.0 110.295 -160.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.06 119.51 73.46 Favored Pre-proline 0 N--CA 1.499 1.987 0 CA-C-N 110.164 -3.198 . . . . 0.0 106.241 171.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.341 9.0 Cg_endo -157.5 149.85 0.0 OUTLIER 'Cis proline' 0 C--N 1.399 3.235 0 N-CA-C 120.362 3.178 . . . . 0.0 120.362 -3.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.2 m -118.9 112.46 19.68 Favored 'General case' 0 N--CA 1.496 1.839 2 CA-C-N 103.725 -6.125 . . . . 0.0 105.95 -142.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -93.21 120.21 33.24 Favored 'General case' 0 C--O 1.302 3.817 0 O-C-N 127.492 2.995 . . . . 0.0 106.263 169.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -108.29 144.62 16.56 Favored 'Isoleucine or valine' 1 CA--C 1.633 4.156 0 C-N-CA 130.541 3.537 . . . . 0.0 109.095 179.535 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -128.66 111.52 13.26 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 100.771 -3.788 . . . . 0.0 100.771 -161.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.35 127.09 20.45 Favored 'General case' 0 CA--C 1.566 1.568 1 CA-C-O 131.603 5.478 . . . . 0.0 103.658 -169.421 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -128.09 176.26 7.77 Favored 'General case' 0 C--O 1.282 2.809 1 O-C-N 114.914 -4.866 . . . . 0.0 110.366 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -60.81 41.04 0.01 OUTLIER 'General case' 1 N--CA 1.545 4.281 0 CA-C-O 127.121 3.343 . . . . 0.0 119.809 157.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.48 44.65 0.39 Allowed Glycine 0 N--CA 1.493 2.442 0 CA-C-N 112.787 -2.006 . . . . 0.0 111.6 177.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.297 51.6 mtmt 50.9 -157.06 0.11 Allowed 'General case' 0 N--CA 1.527 3.385 0 C-N-CA 125.428 1.491 . . . . 0.0 113.114 -172.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.4 tp -66.76 92.96 0.23 Allowed 'General case' 0 CA--C 1.594 2.657 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 170.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.4 m -68.31 -30.16 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 1 N-CA-C 122.585 4.291 . . . . 0.0 122.585 170.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -168.0 164.23 13.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.047 -1.658 . . . . 0.0 113.222 -177.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . 0.337 18.0 pttm -157.01 139.16 14.56 Favored 'General case' 0 CA--C 1.609 3.215 0 C-N-CA 126.09 1.756 . . . . 0.0 110.033 -173.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 38.1 m -162.52 149.02 12.98 Favored 'General case' 0 C--N 1.288 -2.079 0 CA-C-O 124.622 2.153 . . . . 0.0 109.435 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.82 99.39 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.514 2.737 0 CA-C-O 126.75 3.166 . . . . 0.0 109.41 -163.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -166.05 -149.43 5.91 Favored Glycine 0 C--O 1.273 2.55 0 O-C-N 117.923 -2.986 . . . . 0.0 115.575 -177.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -176.83 102.65 0.06 Allowed 'General case' 0 CA--C 1.556 1.195 0 CA-C-N 122.935 3.367 . . . . 0.0 109.03 177.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -165.74 132.35 2.7 Favored 'General case' 0 CA--C 1.58 2.122 0 CA-C-N 120.982 1.719 . . . . 0.0 109.133 -173.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.431 36.5 pttt -47.39 -66.38 0.41 Allowed 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 119.145 3.017 . . . . 0.0 119.145 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.398 9.4 p-10 -56.89 -43.15 81.01 Favored 'General case' 0 CA--C 1.591 2.557 0 N-CA-C 116.669 2.1 . . . . 0.0 116.669 167.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -39.83 -81.36 0.03 OUTLIER Glycine 1 N--CA 1.529 4.854 0 N-CA-C 117.949 1.94 . . . . 0.0 117.949 174.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.298 57.8 tp -37.69 -57.34 1.58 Allowed Pre-proline 0 N--CA 1.508 2.45 1 N-CA-C 123.891 4.774 . . . . 0.0 123.891 172.75 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -43.31 -47.72 8.74 Favored 'Trans proline' 0 CA--C 1.588 3.222 0 C-N-CA 124.11 3.207 . . . . 0.0 119.369 160.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.472 89.7 m -52.08 -60.26 3.41 Favored 'General case' 0 N--CA 1.52 3.036 0 N-CA-C 116.75 2.13 . . . . 0.0 116.75 170.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 45.8 tp -53.41 -59.66 4.29 Favored 'General case' 0 CA--C 1.573 1.837 0 C-N-CA 128.267 2.627 . . . . 0.0 115.088 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.282 84.0 t -45.64 -55.38 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.517 2.91 0 O-C-N 117.681 -3.137 . . . . 0.0 116.04 166.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.69 -52.93 10.14 Favored 'General case' 0 C--N 1.368 1.396 0 N-CA-C 119.254 3.057 . . . . 0.0 119.254 169.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -46.13 -52.15 12.72 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 117.208 2.299 . . . . 0.0 117.208 161.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -57.81 -71.18 0.11 Allowed 'General case' 0 CA--C 1.615 3.476 0 N-CA-C 117.515 2.413 . . . . 0.0 117.515 174.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.496 ' HB1' HD22 ' A' ' 57' ' ' ASN 0.274 . . . . . . . 0 CA--C 1.586 2.355 0 N-CA-C 119.324 3.083 . . . . 0.0 119.324 177.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 . . . . . 0 N--CA 1.514 2.757 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.92 -176.5 42.49 Favored Glycine 0 CA--C 1.549 2.161 0 CA-C-N 112.199 -2.273 . . . . 0.0 114.159 153.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -156.86 157.45 34.94 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-O 125.108 2.385 . . . . 0.0 111.201 -170.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.9 t -125.16 121.67 61.3 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.626 0 C-N-CA 129.122 2.969 . . . . 0.0 105.969 -161.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.1 125.29 51.31 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.125 0 N-CA-C 102.469 -3.16 . . . . 0.0 102.469 -165.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.86 141.15 51.27 Favored 'General case' 0 C--O 1.246 0.892 0 N-CA-C 119.335 3.087 . . . . 0.0 119.335 163.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 62.2 m -146.67 132.57 19.1 Favored 'General case' 0 CA--C 1.595 2.686 0 CA-C-O 127.395 3.474 . . . . 0.0 106.565 -166.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -141.46 -4.32 1.13 Allowed 'General case' 0 N--CA 1.507 2.423 0 CA-C-N 108.717 -3.856 . . . . 0.0 119.046 -170.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.3 p -149.77 -169.37 3.36 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 119.465 -2.022 . . . . 0.0 112.265 -157.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.359 14.5 p -56.89 -13.97 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.539 3.984 1 N-CA-C 121.917 4.043 . . . . 0.0 121.917 153.137 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.265 76.5 m-20 -48.49 -48.62 37.85 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 118.637 2.829 . . . . 0.0 118.637 169.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.294 6.6 t -63.26 -31.27 72.38 Favored 'General case' 0 CA--C 1.603 3.018 0 CA-C-N 111.824 -2.444 . . . . 0.0 116.059 169.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . 0.253 19.4 m95 -54.25 -41.79 69.19 Favored 'General case' 0 CA--C 1.593 2.611 0 O-C-N 118.685 -2.51 . . . . 0.0 117.131 165.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -61.88 -54.86 36.24 Favored 'General case' 2 N--CA 1.54 4.075 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 159.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.318 33.8 mt-10 -56.28 -63.67 1.11 Allowed 'General case' 0 CA--C 1.575 1.915 1 N-CA-C 126.739 5.829 . . . . 0.0 126.739 175.661 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -53.06 -62.71 1.48 Allowed 'General case' 0 CA--C 1.592 2.593 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 173.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.406 1.1 t80 -50.52 -58.85 4.82 Favored 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 174.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.369 39.2 mm-40 -61.07 -60.38 3.86 Favored 'General case' 0 CA--C 1.571 1.78 0 C-N-CA 127.985 2.514 . . . . 0.0 115.142 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -47.26 -56.91 5.86 Favored 'General case' 0 N--CA 1.5 2.025 0 CA-C-N 122.86 2.573 . . . . 0.0 112.099 167.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.59 -95.31 0.01 OUTLIER Glycine 1 CA--C 1.61 5.974 1 C-N-CA 130.723 4.011 . . . . 0.0 111.592 -177.976 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -70.53 100.33 1.79 Allowed 'General case' 0 C--N 1.383 2.055 0 CA-C-O 122.817 1.294 . . . . 0.0 110.527 157.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.34 -41.31 0.51 Allowed Glycine 0 CA--C 1.552 2.4 0 CA-C-N 112.671 -2.059 . . . . 0.0 114.517 160.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.8 m -106.65 124.77 50.11 Favored 'General case' 0 CA--C 1.605 3.071 0 O-C-N 129.314 3.597 . . . . 0.0 106.843 -172.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -65.62 75.65 0.07 Allowed 'General case' 0 N--CA 1.506 2.36 0 CA-C-N 113.498 -1.683 . . . . 0.0 114.582 167.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.284 0.1 OUTLIER -158.25 164.02 36.87 Favored 'General case' 0 CA--C 1.627 3.908 0 N-CA-C 102.334 -3.21 . . . . 0.0 102.334 -178.526 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.34 31.8 tp -89.31 152.85 21.31 Favored 'General case' 0 C--O 1.266 1.94 0 CA-C-N 110.195 -3.184 . . . . 0.0 111.966 161.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.332 1.4 pt -148.87 133.78 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 C-N-CA 129.843 3.257 . . . . 0.0 104.229 -175.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -139.14 140.25 38.45 Favored 'Isoleucine or valine' 0 CA--C 1.629 3.999 0 CA-C-O 126.717 3.151 . . . . 0.0 102.924 -173.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.7 p -150.96 109.16 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.452 0 CA-C-O 124.279 1.99 . . . . 0.0 110.329 -164.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -66.68 136.95 56.3 Favored 'General case' 0 CA--C 1.573 1.86 0 C-N-CA 127.228 2.211 . . . . 0.0 114.218 158.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -135.54 93.61 2.98 Favored 'General case' 0 CA--C 1.561 1.394 0 N-CA-C 102.682 -3.081 . . . . 0.0 102.682 -169.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.1 t -135.72 151.63 50.34 Favored 'General case' 0 C--O 1.272 2.238 0 CA-C-O 127.9 3.714 . . . . 0.0 103.722 -161.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.86 128.58 33.52 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 110.866 -2.879 . . . . 0.0 114.295 158.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.298 8.0 t -47.32 -33.9 6.24 Favored 'General case' 0 N--CA 1.517 2.885 0 N-CA-C 120.021 3.341 . . . . 0.0 120.021 172.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 54.1 p-90 -83.91 90.24 7.36 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 128.577 2.751 . . . . 0.0 105.309 166.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.531 ' SG ' ' HD2' ' A' ' 40' ' ' PRO . 53.4 t -170.06 95.92 0.48 Allowed Pre-proline 0 CA--C 1.565 1.524 0 CA-C-O 113.46 -3.162 . . . . 0.0 110.772 174.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -53.03 -42.25 65.91 Favored 'Trans proline' 1 CA--C 1.633 5.458 0 N-CA-C 120.074 3.067 . . . . 0.0 120.074 159.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.531 ' HD2' ' SG ' ' A' ' 38' ' ' CYS . 24.2 Cg_exo -53.74 -50.54 13.4 Favored 'Trans proline' 1 CA--C 1.611 4.336 0 C-N-CA 124.294 3.329 . . . . 0.0 116.027 168.756 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.636 66.7 m -62.66 -28.06 69.67 Favored 'General case' 0 CA--C 1.582 2.178 1 N-CA-C 124.791 5.108 . . . . 0.0 124.791 160.256 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -56.16 -51.62 67.33 Favored 'General case' 0 CA--C 1.572 1.818 0 CA-C-O 112.466 -3.635 . . . . 0.0 115.802 163.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.354 11.6 ptt? -63.18 -35.16 79.37 Favored 'General case' 0 N--CA 1.502 2.139 1 N-CA-C 122.394 4.22 . . . . 0.0 122.394 159.484 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.581 1.0 OUTLIER -54.58 -38.37 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 166.415 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.261 . . -50.21 -56.81 15.52 Favored Pre-proline 0 C--O 1.186 -2.254 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 165.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -48.52 -40.94 37.39 Favored 'Trans proline' 0 N--CA 1.507 2.311 2 O-C-N 113.173 -4.172 . . . . 0.0 121.304 161.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.38 40.4 mm -51.06 -55.57 7.08 Favored 'Isoleucine or valine' 0 C--N 1.392 2.422 1 O-C-N 115.215 -4.678 . . . . 0.0 115.412 162.292 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.31 -31.97 70.78 Favored 'General case' 0 C--N 1.395 2.546 0 C-N-CA 127.527 2.331 . . . . 0.0 116.199 171.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.36 . . -68.5 -55.49 11.57 Favored 'General case' 0 C--O 1.276 2.498 0 N-CA-C 117.535 2.42 . . . . 0.0 117.535 163.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.256 7.1 tm-20 -50.83 -58.26 6.39 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 118.254 -2.779 . . . . 0.0 116.919 167.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.5 -47.35 14.16 Favored 'General case' 0 CA--C 1.571 1.768 0 O-C-N 127.358 2.911 . . . . 0.0 115.262 169.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.01 -44.27 74.39 Favored 'General case' 0 CA--C 1.559 1.304 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 168.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -56.4 -38.44 71.52 Favored 'General case' 0 N--CA 1.504 2.24 0 CA-C-O 127.891 3.71 . . . . 0.0 117.652 168.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -62.07 -30.07 70.74 Favored 'General case' 0 CA--C 1.608 3.184 1 O-C-N 116.164 -4.085 . . . . 0.0 118.359 166.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -136.97 98.51 10.48 Favored Pre-proline 1 CA--C 1.633 4.165 0 C-N-CA 127.489 2.315 . . . . 0.0 113.688 -156.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.516 0.1 OUTLIER -66.37 -35.26 31.94 Favored 'Trans proline' 0 N--CA 1.512 2.59 2 C-N-CA 131.969 8.446 . . . . 0.0 129.911 -179.294 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.447 7.4 p30 -69.71 -2.82 12.92 Favored 'General case' 0 N--CA 1.503 2.217 0 C-N-CA 128.34 2.656 . . . . 0.0 114.511 -176.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.353 2.6 p -140.57 118.54 9.91 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.141 0 CA-C-O 115.927 -1.987 . . . . 0.0 108.716 -142.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.5 m -88.83 146.84 24.73 Favored 'General case' 0 CA--C 1.597 2.769 0 C-N-CA 130.122 3.369 . . . . 0.0 102.602 174.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -133.35 126.92 32.4 Favored 'General case' 0 C--O 1.266 1.957 0 C-N-CA 130.901 3.68 . . . . 0.0 109.975 -176.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.433 0.4 OUTLIER -149.43 139.8 22.35 Favored 'General case' 0 N--CA 1.533 3.69 0 O-C-N 120.619 -1.3 . . . . 0.0 109.731 -164.215 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -138.36 120.33 15.49 Favored 'General case' 0 CA--C 1.577 2.013 0 N-CA-C 104.98 -2.23 . . . . 0.0 104.98 -156.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.9 t -127.26 119.77 53.4 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.02 0 N-CA-C 101.449 -3.537 . . . . 0.0 101.449 -157.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -63.71 108.22 1.37 Allowed 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 111.923 -2.399 . . . . 0.0 110.7 161.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.262 0.8 OUTLIER -60.05 -37.93 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.916 0 C-N-CA 125.799 1.64 . . . . 0.0 114.781 178.272 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -48.57 -47.86 39.3 Favored 'General case' 0 CA--C 1.565 1.551 0 N-CA-C 119.699 3.222 . . . . 0.0 119.699 168.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -67.28 -34.55 77.63 Favored 'General case' 0 CA--C 1.58 2.114 0 N-CA-C 121.043 3.72 . . . . 0.0 121.043 159.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.6 mt -141.83 61.29 1.46 Allowed 'General case' 0 CA--C 1.59 2.509 0 CA-C-O 125.472 2.558 . . . . 0.0 110.854 -163.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -80.0 -41.18 26.35 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 112.394 -2.184 . . . . 0.0 115.623 172.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.335 . . -54.52 -59.52 4.59 Favored 'General case' 0 CA--C 1.605 3.077 0 CA-C-N 121.455 1.934 . . . . 0.0 114.92 175.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.288 7.7 p -56.65 -57.93 7.48 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.672 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 169.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.25 -45.37 2.9 Favored 'General case' 0 N--CA 1.536 3.867 0 N-CA-C 120.401 3.482 . . . . 0.0 120.401 168.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -54.41 -54.1 45.26 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 127.241 2.216 . . . . 0.0 111.382 168.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.71 -51.22 40.2 Favored 'General case' 0 C--N 1.415 3.443 0 C-N-CA 128.702 2.801 . . . . 0.0 115.207 171.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -55.01 -57.06 13.25 Favored 'General case' 0 CA--C 1.601 2.925 0 CA-C-N 123.973 3.078 . . . . 0.0 109.942 171.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.4 t30 154.73 89.5 0.0 OUTLIER 'General case' 1 N--CA 1.562 5.147 0 O-C-N 127.383 2.927 . . . . 0.0 103.725 155.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 t -151.13 67.71 0.06 OUTLIER 'Isoleucine or valine' 1 N--CA 1.546 4.356 0 CA-C-O 124.652 2.168 . . . . 0.0 107.268 -168.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.34 2.0 pp20? -68.28 -8.53 40.29 Favored 'General case' 0 CA--C 1.599 2.856 0 N-CA-C 120.579 3.548 . . . . 0.0 120.579 149.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.92 139.71 38.11 Favored 'General case' 0 CA--C 1.582 2.186 0 C-N-CA 130.129 3.372 . . . . 0.0 112.523 -165.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.16 121.79 73.98 Favored Pre-proline 0 N--CA 1.532 3.627 0 O-C-N 128.417 3.573 . . . . 0.0 105.373 162.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.429 25.7 Cg_endo -151.94 134.34 0.0 OUTLIER 'Cis proline' 1 N--CA 1.543 4.405 0 N-CA-C 120.181 3.108 . . . . 0.0 120.181 -12.608 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . 0.39 7.3 m -97.97 132.94 43.1 Favored 'General case' 0 C--O 1.176 -2.786 3 CA-C-N 105.508 -5.315 . . . . 0.0 110.935 -154.437 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -111.85 125.1 53.66 Favored 'General case' 0 C--O 1.289 3.15 1 CA-C-N 107.62 -4.355 . . . . 0.0 108.231 162.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.1 mt -123.28 133.66 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.437 1 O-C-N 134.729 7.518 . . . . 0.0 105.803 -176.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -114.73 112.23 22.5 Favored 'General case' 0 CA--C 1.603 2.996 0 N-CA-C 100.352 -3.944 . . . . 0.0 100.352 -165.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.33 118.57 19.6 Favored 'General case' 0 CA--C 1.622 3.731 1 N-CA-C 99.99 -4.078 . . . . 0.0 99.99 -177.044 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.25 45.8 tttt -102.15 174.51 5.89 Favored 'General case' 0 CA--C 1.569 1.702 0 C-N-CA 131.08 3.752 . . . . 0.0 112.277 175.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.268 4.2 p-10 -53.83 45.06 0.0 OUTLIER 'General case' 0 CA--C 1.623 3.76 0 N-CA-C 120.153 3.39 . . . . 0.0 120.153 151.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -173.67 47.1 0.15 Allowed Glycine 1 CA--C 1.601 5.418 0 C-N-CA 125.627 1.584 . . . . 0.0 115.684 176.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.354 9.9 mptt 51.2 -167.42 0.04 OUTLIER 'General case' 0 CA--C 1.596 2.728 0 C-N-CA 127.04 2.136 . . . . 0.0 110.755 -169.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.1 tp -53.46 109.94 0.5 Allowed 'General case' 0 N--CA 1.51 2.575 0 O-C-N 117.764 -3.085 . . . . 0.0 111.698 175.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.53 26.2 m -77.44 -53.13 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.614 0 CA-C-N 108.688 -3.869 . . . . 0.0 112.456 167.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -166.15 172.05 11.67 Favored 'General case' 1 N--CA 1.557 4.893 0 O-C-N 117.684 -3.135 . . . . 0.0 108.659 -172.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -161.97 136.87 7.11 Favored 'General case' 0 CA--C 1.615 3.479 0 CA-C-N 112.215 -2.266 . . . . 0.0 110.475 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 92.7 m -144.31 159.49 42.61 Favored 'General case' 0 CA--C 1.601 2.94 0 C-N-CA 127.13 2.172 . . . . 0.0 107.514 -176.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.324 0.2 OUTLIER -151.72 106.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 100.797 -3.779 . . . . 0.0 100.797 -164.392 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -176.5 -163.45 28.91 Favored Glycine 1 CA--C 1.591 4.799 1 CA-C-O 128.656 4.476 . . . . 0.0 105.93 172.532 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.97 93.8 1.78 Allowed 'General case' 0 CA--C 1.566 1.579 1 CA-C-N 107.368 -4.416 . . . . 0.0 109.353 -176.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -156.06 116.06 3.65 Favored 'General case' 0 C--O 1.182 -2.471 0 CA-C-O 126.601 3.096 . . . . 0.0 106.594 -167.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.291 56.5 pttt -50.77 -51.53 49.54 Favored 'General case' 0 N--CA 1.52 3.042 0 CA-C-N 108.966 -3.743 . . . . 0.0 118.51 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.35 -44.38 25.26 Favored 'General case' 0 C--O 1.289 3.177 0 C-N-CA 125.602 1.561 . . . . 0.0 115.168 170.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -44.66 -56.53 5.64 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 120.244 2.858 . . . . 0.0 120.244 175.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.302 60.9 tp -53.67 -53.23 59.6 Favored Pre-proline 0 CA--C 1.592 2.575 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 174.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -49.01 -48.74 17.21 Favored 'Trans proline' 1 CA--C 1.608 4.183 0 CA-C-N 123.622 2.329 . . . . 0.0 117.604 159.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.334 31.8 m -54.29 -60.5 3.25 Favored 'General case' 0 N--CA 1.532 3.672 0 C-N-CA 124.4 1.08 . . . . 0.0 109.812 -179.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 27.1 tp -50.78 -56.88 10.02 Favored 'General case' 0 CA--C 1.62 3.652 0 C-N-CA 126.573 1.949 . . . . 0.0 114.467 173.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.4 t -55.13 -46.16 77.48 Favored 'Isoleucine or valine' 1 N--CA 1.547 4.415 0 CA-C-O 116.097 -1.906 . . . . 0.0 115.746 171.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.53 -57.52 6.04 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 168.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -53.97 -36.57 63.02 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 117.788 2.514 . . . . 0.0 117.788 169.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.26 7.6 m-70 -65.15 -59.55 3.98 Favored 'General case' 0 C--N 1.379 1.853 0 O-C-N 117.395 -3.316 . . . . 0.0 115.288 170.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.601 2.931 0 N-CA-C 116.148 1.907 . . . . 0.0 116.148 170.86 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 . . . . . 0 N--CA 1.539 3.998 0 CA-C-O 124.588 2.137 . . . . 0.0 115.44 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.64 -163.26 10.77 Favored Glycine 0 CA--C 1.557 2.657 2 N-CA-C 99.715 -5.354 . . . . 0.0 99.715 -173.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -152.36 150.58 29.86 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 118.688 -2.654 . . . . 0.0 107.128 -165.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.76 123.44 68.27 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.438 0 CA-C-N 109.534 -3.484 . . . . 0.0 104.364 174.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.52 129.9 64.72 Favored 'Isoleucine or valine' 1 CA--C 1.629 4.006 0 C-N-CA 127.918 2.487 . . . . 0.0 110.649 -175.263 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.27 118.22 13.78 Favored 'General case' 0 CA--C 1.581 2.164 0 N-CA-C 118.17 2.656 . . . . 0.0 118.17 174.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 73.0 m -122.6 135.03 54.51 Favored 'General case' 0 CA--C 1.609 3.214 1 C-N-CA 131.745 4.018 . . . . 0.0 108.793 -167.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -142.67 -24.8 0.64 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 119.454 3.131 . . . . 0.0 119.454 -166.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.7 p -147.86 -166.63 2.58 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.031 -1.668 . . . . 0.0 109.963 -160.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.8 p -57.92 -24.73 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.744 0 CA-C-O 126.04 2.829 . . . . 0.0 116.873 166.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -49.22 -35.84 18.4 Favored 'General case' 0 CA--C 1.581 2.159 1 O-C-N 116.257 -4.027 . . . . 0.0 121.226 166.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.373 0.6 OUTLIER -61.29 -44.34 97.38 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 160.612 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -44.77 -51.39 9.43 Favored 'General case' 0 N--CA 1.527 3.403 0 N-CA-C 117.819 2.526 . . . . 0.0 117.819 168.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -56.44 -39.02 72.43 Favored 'General case' 0 CA--C 1.606 3.119 0 N-CA-C 116.749 2.129 . . . . 0.0 116.749 164.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -73.97 -64.14 1.07 Allowed 'General case' 0 C--O 1.214 -0.786 0 C-N-CA 126.066 1.746 . . . . 0.0 111.526 174.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -49.58 -60.26 3.02 Favored 'General case' 0 N--CA 1.493 1.705 1 N-CA-C 122.434 4.235 . . . . 0.0 122.434 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -55.39 20.46 Favored 'General case' 0 CA--C 1.598 2.82 0 N-CA-C 118.39 2.737 . . . . 0.0 118.39 173.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.592 1.1 mm-40 -61.0 -43.13 99.33 Favored 'General case' 0 N--CA 1.522 3.134 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 175.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.423 31.9 mmtp -59.28 -63.3 1.35 Allowed 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 119.953 3.316 . . . . 0.0 119.953 162.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.76 -68.34 1.15 Allowed Glycine 1 CA--C 1.606 5.733 0 CA-C-N 113.287 -1.779 . . . . 0.0 116.69 177.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm -83.83 88.14 7.1 Favored 'General case' 0 C--O 1.276 2.486 0 CA-C-N 113.284 -1.458 . . . . 0.0 110.518 157.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.26 -35.42 0.17 Allowed Glycine 0 CA--C 1.554 2.51 0 CA-C-N 108.928 -3.76 . . . . 0.0 117.75 169.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.9 m -120.01 139.55 52.33 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 129.919 3.288 . . . . 0.0 104.969 -168.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -72.63 80.4 1.1 Allowed 'General case' 0 N--CA 1.518 2.928 0 CA-C-N 112.041 -2.345 . . . . 0.0 110.644 165.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -167.51 163.68 14.79 Favored 'General case' 0 C--N 1.395 2.584 0 C-N-CA 128.755 2.822 . . . . 0.0 110.532 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.6 tp -86.22 142.38 28.63 Favored 'General case' 0 CA--C 1.585 2.303 0 C-N-CA 127.983 2.513 . . . . 0.0 109.154 161.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.292 0.9 OUTLIER -145.17 126.67 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.615 0 N-CA-C 102.241 -3.244 . . . . 0.0 102.241 -172.425 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 t -129.46 151.79 36.33 Favored 'Isoleucine or valine' 0 C--O 1.259 1.579 0 C-N-CA 130.775 3.63 . . . . 0.0 114.867 -169.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 p -156.36 122.11 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 C-N-CA 126.331 1.852 . . . . 0.0 108.053 -170.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -81.87 108.31 15.29 Favored 'General case' 0 CA--C 1.607 3.168 0 CA-C-N 111.807 -2.451 . . . . 0.0 116.419 157.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -85.43 102.42 13.43 Favored 'General case' 0 CA--C 1.594 2.651 0 C-N-CA 129.284 3.034 . . . . 0.0 105.012 168.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.8 t -151.22 144.71 24.9 Favored 'General case' 0 N--CA 1.515 2.804 0 N-CA-C 103.319 -2.845 . . . . 0.0 103.319 -168.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.262 . . -73.22 151.26 41.51 Favored 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 111.404 -2.635 . . . . 0.0 115.633 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.9 t -56.39 -39.87 73.67 Favored 'General case' 0 N--CA 1.52 3.061 0 O-C-N 117.596 -3.19 . . . . 0.0 118.297 154.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 61.5 p-90 -66.95 61.09 0.05 OUTLIER 'General case' 0 N--CA 1.503 2.206 0 C-N-CA 127.701 2.4 . . . . 0.0 114.476 161.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 28.6 t -156.38 79.96 3.85 Favored Pre-proline 0 C--N 1.406 3.047 0 CA-C-N 112.303 -2.226 . . . . 0.0 110.427 -172.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -52.63 -48.56 21.34 Favored 'Trans proline' 0 N--CA 1.513 2.674 1 C-N-CA 128.904 6.402 . . . . 0.0 114.496 161.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.298 71.9 Cg_exo -44.43 -50.85 7.59 Favored 'Trans proline' 0 C--N 1.39 2.735 0 C-N-CA 124.54 3.493 . . . . 0.0 118.573 168.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' A' ' 38' ' ' CYS 0.347 5.6 m -71.39 -22.06 61.93 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 121.35 3.833 . . . . 0.0 121.35 166.202 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.29 56.8 tttp -63.0 -34.63 77.97 Favored 'General case' 0 CA--C 1.587 2.397 0 CA-C-N 120.376 1.444 . . . . 0.0 113.723 163.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.312 4.3 ptt? -67.92 -49.71 60.26 Favored 'General case' 1 N--CA 1.589 6.484 0 O-C-N 117.718 -3.114 . . . . 0.0 116.991 155.257 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.409 1.0 OUTLIER -50.73 -36.7 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.166 0 N-CA-C 118.392 2.738 . . . . 0.0 118.392 171.791 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.358 . . -44.68 -67.45 0.36 Allowed Pre-proline 0 N--CA 1.523 3.198 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 167.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -43.34 -43.03 10.56 Favored 'Trans proline' 0 C--O 1.252 1.22 1 N-CA-C 124.302 4.693 . . . . 0.0 124.302 156.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.276 38.4 mm -53.18 -63.87 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.604 3.023 0 O-C-N 118.564 -2.585 . . . . 0.0 113.855 167.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -51.33 -27.98 11.05 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 115.69 -2.1 . . . . 0.0 113.224 171.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.14 -48.77 50.1 Favored 'General case' 0 CA--C 1.581 2.166 0 C-N-CA 129.768 3.227 . . . . 0.0 114.663 164.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.279 3.7 tm-20 -49.43 -57.22 7.36 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-N 123.215 2.734 . . . . 0.0 114.404 166.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.87 -48.58 51.25 Favored 'General case' 0 N--CA 1.428 -1.562 0 CA-C-O 115.262 -2.304 . . . . 0.0 116.231 166.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.65 -48.99 28.53 Favored 'General case' 0 CA--C 1.581 2.16 0 N-CA-C 120.263 3.431 . . . . 0.0 120.263 167.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -56.13 -44.57 79.3 Favored 'General case' 0 N--CA 1.508 2.464 0 CA-C-O 115.606 -2.14 . . . . 0.0 115.188 166.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -54.57 -27.27 37.63 Favored 'General case' 1 CA--C 1.646 4.667 0 N-CA-C 119.734 3.235 . . . . 0.0 119.734 169.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -136.2 78.64 45.58 Favored Pre-proline 0 CA--C 1.556 1.18 0 CA-C-N 111.031 -2.804 . . . . 0.0 107.891 -159.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.251 18.5 Cg_endo -63.51 -19.89 68.64 Favored 'Trans proline' 0 CA--C 1.594 3.522 2 C-N-CA 127.913 5.742 . . . . 0.0 126.262 163.255 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.333 8.3 p30 -65.07 -4.54 4.91 Favored 'General case' 0 N--CA 1.531 3.601 0 C-N-CA 127.16 2.184 . . . . 0.0 116.63 173.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.414 3.4 p -145.89 110.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.417 3.515 0 CA-C-N 114.398 -1.274 . . . . 0.0 109.542 -154.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.2 m -67.47 154.49 41.26 Favored 'General case' 0 CA--C 1.578 2.03 0 O-C-N 118.555 -2.59 . . . . 0.0 112.808 160.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -139.0 130.33 26.95 Favored 'General case' 0 C--O 1.267 2.022 1 C-N-CA 131.97 4.108 . . . . 0.0 115.704 178.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.38 0.7 OUTLIER -137.29 157.46 46.57 Favored 'General case' 0 CA--C 1.582 2.173 0 C-N-CA 127.342 2.257 . . . . 0.0 109.891 -170.724 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -153.58 104.73 2.75 Favored 'General case' 0 N--CA 1.504 2.264 1 CA-C-O 128.613 4.054 . . . . 0.0 102.094 -163.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.8 t -80.34 115.49 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.189 1 CA-C-N 107.617 -4.356 . . . . 0.0 111.609 172.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -67.83 105.9 2.11 Favored 'General case' 0 N--CA 1.524 3.252 0 CA-C-O 123.334 1.54 . . . . 0.0 107.871 148.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.387 0.3 OUTLIER -63.83 -14.31 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.218 1 N-CA-C 122.169 4.137 . . . . 0.0 122.169 176.211 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -51.78 -58.7 5.66 Favored 'General case' 0 C--O 1.201 -1.489 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 166.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -64.51 -19.54 65.66 Favored 'General case' 0 CA--C 1.616 3.49 0 CA-C-O 113.989 -2.91 . . . . 0.0 117.141 169.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.5 mt -145.92 40.31 1.16 Allowed 'General case' 0 CA--C 1.582 2.189 0 C-N-CA 127.112 2.165 . . . . 0.0 113.501 -158.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.303 25.5 pttm -63.58 -54.66 32.58 Favored 'General case' 0 CA--C 1.597 2.757 0 C-N-CA 126.931 2.092 . . . . 0.0 116.442 163.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.02 -57.11 2.11 Favored 'General case' 1 N--CA 1.551 4.576 0 O-C-N 117.32 -3.362 . . . . 0.0 112.575 178.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.263 9.9 p -61.42 -48.83 87.06 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.247 0 C-N-CA 128.694 2.798 . . . . 0.0 115.325 170.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.46 -55.97 2.66 Favored 'General case' 0 N--CA 1.511 2.608 0 N-CA-C 116.777 2.14 . . . . 0.0 116.777 170.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -59.68 -52.97 63.21 Favored 'General case' 0 CA--C 1.588 2.418 0 CA-C-N 111.706 -2.497 . . . . 0.0 111.287 173.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -52.1 -50.72 61.06 Favored 'General case' 0 N--CA 1.531 3.577 0 CA-C-N 123.243 2.747 . . . . 0.0 115.453 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.333 5.7 m95 -57.37 -45.67 84.2 Favored 'General case' 0 C--N 1.385 2.144 0 CA-C-N 125.079 3.581 . . . . 0.0 116.951 167.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.2 t30 148.04 90.65 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.08 0 O-C-N 126.349 2.281 . . . . 0.0 105.818 147.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.3 t -146.9 85.17 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 CA-C-O 125.74 2.686 . . . . 0.0 105.49 -170.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.74 3.36 19.61 Favored 'General case' 0 N--CA 1.513 2.718 0 N-CA-C 119.207 3.04 . . . . 0.0 119.207 156.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -160.12 129.63 5.18 Favored 'General case' 0 C--N 1.395 2.568 0 CA-C-O 122.758 1.266 . . . . 0.0 114.022 -169.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.405 ' HA ' ' HA ' ' A' ' 81' ' ' PRO 0.317 0.0 OUTLIER -62.65 116.57 24.42 Favored Pre-proline 0 CA--C 1.612 3.358 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.492 154.896 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -151.58 143.69 0.0 OUTLIER 'Cis proline' 2 CA--C 1.617 4.627 1 N-CA-C 127.848 6.057 . . . . 0.0 127.848 -4.497 . . . . . . . . 5 4 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.8 m -133.33 125.77 29.94 Favored 'General case' 0 C--O 1.256 1.417 0 CA-C-O 125.774 2.702 . . . . 0.0 108.311 -136.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -104.02 130.86 51.7 Favored 'General case' 0 CA--C 1.583 2.218 1 CA-C-N 106.485 -4.87 . . . . 0.0 104.305 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -134.72 143.38 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.635 0 N-CA-C 102.16 -3.274 . . . . 0.0 102.16 -166.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -137.2 116.61 12.76 Favored 'General case' 0 CA--C 1.594 2.668 0 N-CA-C 100.442 -3.91 . . . . 0.0 100.442 -153.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.267 0.2 OUTLIER -128.37 128.63 44.89 Favored 'General case' 0 N--CA 1.511 2.591 0 C-N-CA 129.685 3.194 . . . . 0.0 103.695 -176.094 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -96.89 165.21 12.2 Favored 'General case' 0 C--O 1.194 -1.825 0 CA-C-N 109.148 -3.66 . . . . 0.0 113.148 174.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.253 3.5 p30 -63.9 52.33 0.02 OUTLIER 'General case' 1 N--CA 1.54 4.064 0 O-C-N 119.626 -1.921 . . . . 0.0 114.279 143.827 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -177.08 35.29 0.08 OUTLIER Glycine 0 CA--C 1.575 3.837 0 C-N-CA 128.781 3.086 . . . . 0.0 116.189 174.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.4 mptt 71.54 176.11 0.28 Allowed 'General case' 2 N--CA 1.554 4.774 0 C-N-CA 128.329 2.652 . . . . 0.0 111.189 -177.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . 0.258 19.4 tp -45.94 98.21 0.01 OUTLIER 'General case' 0 C--O 1.29 3.236 1 O-C-N 129.179 4.049 . . . . 0.0 112.197 175.473 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.385 12.0 m -70.9 -71.53 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.266 1.95 0 C-N-CA 126.995 2.118 . . . . 0.0 112.456 172.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . 0.267 5.2 t70 -153.41 177.52 10.81 Favored 'General case' 0 CA--C 1.566 1.593 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -163.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.9 pttm -164.17 159.35 20.13 Favored 'General case' 1 N--CA 1.541 4.12 0 C-N-CA 126.053 1.741 . . . . 0.0 112.557 -174.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 37.9 m -160.72 133.14 6.15 Favored 'General case' 0 CA--C 1.562 1.417 0 N-CA-C 103.024 -2.954 . . . . 0.0 103.024 -177.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.32 1.8 p -113.03 98.45 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.628 3.959 0 C-N-CA 129.675 3.19 . . . . 0.0 108.015 -174.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -176.42 -161.68 25.83 Favored Glycine 1 N--CA 1.534 5.22 0 CA-C-O 123.992 1.885 . . . . 0.0 113.45 172.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -163.16 101.96 0.97 Allowed 'General case' 0 N--CA 1.532 3.635 0 CA-C-N 112.719 -1.741 . . . . 0.0 108.25 -174.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -156.82 128.55 7.16 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 127.548 3.03 . . . . 0.0 106.357 -168.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -56.34 -61.33 2.47 Favored 'General case' 0 CA--C 1.597 2.751 0 C-N-CA 128.447 2.699 . . . . 0.0 116.779 -174.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -71.67 -44.44 64.27 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 118.701 2.852 . . . . 0.0 118.701 157.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -35.83 -53.61 1.14 Allowed Glycine 2 CA--C 1.604 5.627 0 N-CA-C 121.289 3.276 . . . . 0.0 121.289 172.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.293 13.5 tp -60.39 -56.58 33.92 Favored Pre-proline 0 CA--C 1.563 1.46 1 CA-C-O 111.568 -4.063 . . . . 0.0 112.494 168.779 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -48.49 -32.85 21.71 Favored 'Trans proline' 1 CA--C 1.619 4.743 2 CA-C-N 129.892 4.569 . . . . 0.0 117.829 165.841 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 49.1 m -60.81 -62.69 1.68 Allowed 'General case' 0 N--CA 1.519 2.986 0 C-N-CA 125.467 1.507 . . . . 0.0 112.458 172.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.3 tp -51.51 -59.65 4.02 Favored 'General case' 0 CA--C 1.563 1.459 1 O-C-N 129.908 4.505 . . . . 0.0 116.242 175.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.259 91.9 t -48.68 -50.7 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.539 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 167.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.68 -54.06 20.83 Favored 'General case' 0 N--CA 1.51 2.541 0 CA-C-O 123.411 1.577 . . . . 0.0 111.573 174.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . 0.339 88.5 mttt -49.81 -50.13 46.16 Favored 'General case' 0 C--O 1.2 -1.538 0 N-CA-C 120.224 3.416 . . . . 0.0 120.224 166.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -61.95 -46.89 87.29 Favored 'General case' 0 CA--C 1.605 3.059 0 N-CA-C 118.543 2.794 . . . . 0.0 118.543 172.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.611 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 176.797 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.278 2.56 0 CA-C-O 126.037 2.827 . . . . 0.0 116.193 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.11 -166.66 18.6 Favored Glycine 0 C--O 1.253 1.295 0 CA-C-N 112.5 -2.136 . . . . 0.0 112.303 151.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -149.01 110.58 4.49 Favored 'General case' 0 N--CA 1.503 2.204 0 C-N-CA 125.445 1.498 . . . . 0.0 107.3 -169.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.3 t -85.95 112.56 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 C-N-CA 128.324 2.65 . . . . 0.0 108.614 173.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.58 128.03 50.58 Favored 'Isoleucine or valine' 1 CA--C 1.632 4.103 0 O-C-N 117.816 -3.053 . . . . 0.0 106.794 -162.411 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.17 145.28 47.56 Favored 'General case' 0 CA--C 1.581 2.165 0 C-N-CA 126.124 1.77 . . . . 0.0 115.285 166.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 61' ' ' LEU . 96.6 m -150.51 141.88 23.34 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 103.113 -2.921 . . . . 0.0 103.113 -167.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -147.64 -15.17 0.38 Allowed 'General case' 0 CA--C 1.602 2.981 0 N-CA-C 118.074 2.62 . . . . 0.0 118.074 -168.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.1 p -146.08 -173.97 4.31 Favored 'General case' 0 CA--C 1.596 2.723 0 O-C-N 118.311 -2.743 . . . . 0.0 109.706 -154.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.17 -13.52 12.56 Favored 'Isoleucine or valine' 0 CA--C 1.62 3.655 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 160.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.273 18.1 m-20 -60.76 -39.9 90.48 Favored 'General case' 0 CA--C 1.578 2.024 0 N-CA-C 118.063 2.616 . . . . 0.0 118.063 169.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.402 ' HG1' ' HB3' ' A' ' 9' ' ' CYS . 0.6 OUTLIER -62.89 -38.45 90.95 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 118.87 2.915 . . . . 0.0 118.87 163.298 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -47.6 -53.85 13.51 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-O 116.861 -1.542 . . . . 0.0 113.39 160.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -50.49 -33.82 22.76 Favored 'General case' 0 CA--C 1.608 3.2 0 N-CA-C 121.163 3.764 . . . . 0.0 121.163 164.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -76.28 -58.16 3.44 Favored 'General case' 0 CA--C 1.583 2.242 0 C-N-CA 130.706 3.602 . . . . 0.0 115.713 173.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.325 1.8 t-80 -51.75 -62.03 1.88 Allowed 'General case' 0 CA--C 1.571 1.785 0 O-C-N 127.122 2.764 . . . . 0.0 115.689 176.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -67.28 -55.89 12.06 Favored 'General case' 0 CA--C 1.577 1.986 0 O-C-N 127.596 3.06 . . . . 0.0 117.373 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -58.39 -48.89 79.18 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 123.647 2.93 . . . . 0.0 117.122 170.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -53.76 -61.66 2.16 Favored 'General case' 0 N--CA 1.525 3.303 0 O-C-N 118.652 -2.53 . . . . 0.0 115.822 161.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.92 -86.94 0.01 OUTLIER Glycine 0 C--N 1.377 2.848 0 N-CA-C 118.534 2.173 . . . . 0.0 118.534 174.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.69 97.98 3.34 Favored 'General case' 0 CA--C 1.579 2.058 0 O-C-N 127.127 2.31 . . . . 0.0 110.551 157.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.38 -58.96 0.13 Allowed Glycine 0 N--CA 1.488 2.163 0 CA-C-N 111.789 -2.46 . . . . 0.0 107.263 173.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.252 56.0 m -116.24 135.21 54.1 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 130.126 3.371 . . . . 0.0 111.424 -178.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -57.57 77.99 0.01 OUTLIER 'General case' 0 C--N 1.409 3.168 0 C-N-CA 127.984 2.514 . . . . 0.0 111.332 171.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -156.12 145.93 21.15 Favored 'General case' 0 C--O 1.273 2.331 0 C-N-CA 126.428 1.891 . . . . 0.0 108.952 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.0 tp -71.28 153.49 42.36 Favored 'General case' 0 CA--C 1.608 3.182 0 CA-C-O 125.288 2.47 . . . . 0.0 110.815 156.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.326 1.5 pp -149.28 126.41 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.911 0 N-CA-C 102.632 -3.099 . . . . 0.0 102.632 -175.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -136.03 112.09 12.52 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.895 0 C-N-CA 128.829 2.852 . . . . 0.0 103.755 -156.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.305 0.4 OUTLIER -130.07 101.93 6.52 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.31 0 CA-C-N 111.695 -2.502 . . . . 0.0 105.97 -156.727 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -65.66 150.67 48.09 Favored 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 130.316 3.446 . . . . 0.0 110.969 168.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -147.19 96.02 2.65 Favored 'General case' 0 C--O 1.283 2.818 1 N-CA-C 99.844 -4.132 . . . . 0.0 99.844 -174.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.9 t -145.53 154.54 42.3 Favored 'General case' 1 N--CA 1.541 4.097 0 CA-C-O 127.206 3.384 . . . . 0.0 103.469 -173.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.42 145.62 25.21 Favored 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 130.005 3.322 . . . . 0.0 110.999 169.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.8 t -54.63 -38.5 66.91 Favored 'General case' 0 C--O 1.204 -1.323 0 O-C-N 128.966 3.916 . . . . 0.0 118.309 168.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 28.2 p-90 -66.78 78.76 0.12 Allowed 'General case' 0 CA--C 1.58 2.121 0 N-CA-C 117.083 2.253 . . . . 0.0 117.083 162.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.538 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 42.8 t -167.02 89.78 0.75 Allowed Pre-proline 0 C--O 1.267 2.013 0 CA-C-O 117.049 -1.453 . . . . 0.0 110.697 -177.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -48.82 -43.15 35.78 Favored 'Trans proline' 0 CA--C 1.599 3.752 0 N-CA-C 118.029 2.28 . . . . 0.0 118.029 161.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.376 25.8 Cg_exo -40.64 -59.21 0.8 Allowed 'Trans proline' 0 C--N 1.393 2.911 1 N-CA-C 123.05 4.212 . . . . 0.0 123.05 164.426 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.538 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 0.9 OUTLIER -71.35 -14.9 62.34 Favored 'General case' 0 CA--C 1.583 2.214 0 N-CA-C 120.443 3.497 . . . . 0.0 120.443 163.474 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.32 20.8 tttp -57.9 -41.45 82.63 Favored 'General case' 0 CA--C 1.602 2.946 0 N-CA-C 121.344 3.831 . . . . 0.0 121.344 154.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.353 16.6 ptt? -67.82 -40.8 83.78 Favored 'General case' 0 N--CA 1.535 3.812 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 159.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.466 0.9 OUTLIER -56.83 -44.01 81.1 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.2 0 N-CA-C 117.364 2.357 . . . . 0.0 117.364 169.761 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.39 . . -41.29 -60.15 1.92 Allowed Pre-proline 0 N--CA 1.52 3.054 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 170.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -46.54 -47.21 16.02 Favored 'Trans proline' 0 CA--C 1.549 1.236 1 C-N-CA 125.883 4.388 . . . . 0.0 119.465 161.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.371 44.9 mm -54.76 -42.54 62.5 Favored 'Isoleucine or valine' 0 C--N 1.402 2.89 0 C-N-CA 126.516 1.926 . . . . 0.0 115.498 172.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -36.68 82.31 Favored 'General case' 0 N--CA 1.532 3.675 0 C-N-CA 129.757 3.223 . . . . 0.0 113.535 171.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.463 . . -62.3 -52.75 62.42 Favored 'General case' 0 CA--C 1.576 1.942 0 N-CA-C 121.384 3.846 . . . . 0.0 121.384 165.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.6 -57.2 8.75 Favored 'General case' 0 C--O 1.257 1.471 0 N-CA-C 117.263 2.319 . . . . 0.0 117.263 162.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.339 1.5 tm? -48.74 -45.55 39.78 Favored 'General case' 0 CA--C 1.595 2.675 0 N-CA-C 117.898 2.555 . . . . 0.0 117.898 165.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.26 -41.62 50.65 Favored 'General case' 0 CA--C 1.594 2.652 0 CA-C-N 122.667 2.485 . . . . 0.0 117.388 168.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -63.99 -38.56 91.52 Favored 'General case' 0 CA--C 1.58 2.104 0 C-N-CA 128.902 2.881 . . . . 0.0 116.821 169.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -61.16 -38.16 85.47 Favored 'General case' 0 CA--C 1.598 2.808 0 N-CA-C 119.578 3.177 . . . . 0.0 119.578 167.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -129.39 78.35 75.91 Favored Pre-proline 1 CA--C 1.655 5.0 0 CA-C-N 111.557 -2.565 . . . . 0.0 116.093 -156.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -60.37 -20.34 62.67 Favored 'Trans proline' 1 CA--C 1.66 6.808 2 N-CA-C 129.056 6.522 . . . . 0.0 129.056 179.196 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.259 9.8 p30 -81.57 16.07 1.87 Allowed 'General case' 0 C--O 1.187 -2.201 0 C-N-CA 129.967 3.307 . . . . 0.0 118.402 175.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.469 4.3 p -151.64 118.08 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 120.151 -1.593 . . . . 0.0 109.522 -160.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.3 m -85.52 158.52 20.14 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 125.216 2.436 . . . . 0.0 105.497 172.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -150.61 124.83 9.42 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-O 124.763 2.221 . . . . 0.0 108.314 -164.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.481 ' HB2' ' SG ' ' A' ' 9' ' ' CYS 0.417 1.6 pp -146.27 156.15 43.17 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 125.826 2.727 . . . . 0.0 108.236 -170.238 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -146.25 108.94 4.52 Favored 'General case' 0 N--CA 1.507 2.404 0 CA-C-O 124.449 2.071 . . . . 0.0 108.86 -168.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 66.3 t -83.15 120.57 34.69 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.097 0 CA-C-N 110.61 -2.995 . . . . 0.0 107.284 177.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -70.97 106.81 3.79 Favored 'General case' 0 CA--C 1.586 2.347 0 CA-C-N 110.727 -2.942 . . . . 0.0 109.639 159.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.516 HG11 ' SD ' ' A' ' 80' ' ' MET 0.468 0.3 OUTLIER -55.23 -37.68 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 N-CA-C 119.552 3.167 . . . . 0.0 119.552 -179.641 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.77 -40.09 72.15 Favored 'General case' 0 C--O 1.246 0.896 0 C-N-CA 127.51 2.324 . . . . 0.0 112.777 175.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.8 -37.55 87.15 Favored 'General case' 0 C--N 1.365 1.242 0 N-CA-C 121.401 3.852 . . . . 0.0 121.401 165.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 mt -148.32 43.4 1.03 Allowed 'General case' 0 CA--C 1.601 2.925 0 CA-C-O 126.291 2.948 . . . . 0.0 116.535 -162.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -63.49 -46.51 85.82 Favored 'General case' 0 C--O 1.261 1.671 0 CA-C-N 110.421 -3.081 . . . . 0.0 117.937 171.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.14 -62.02 1.76 Allowed 'General case' 0 CA--C 1.599 2.863 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 174.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.365 5.5 p -50.74 -55.08 7.64 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.811 0 N-CA-C 119.406 3.113 . . . . 0.0 119.406 166.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.84 -56.7 10.96 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 113.762 -1.563 . . . . 0.0 113.631 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -54.73 -43.52 72.71 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 112.211 -2.268 . . . . 0.0 111.205 172.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.543 0.0 OUTLIER -41.78 -59.18 1.75 Allowed 'General case' 1 N--CA 1.542 4.156 0 N-CA-C 120.514 3.524 . . . . 0.0 120.514 168.557 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.348 10.0 m95 -53.31 -52.13 60.11 Favored 'General case' 0 CA--C 1.584 2.283 0 O-C-N 126.371 2.295 . . . . 0.0 115.22 166.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 23.7 t30 150.46 77.0 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 131.026 3.73 . . . . 0.0 107.962 151.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . 0.478 39.0 t -98.42 83.35 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.605 3.093 0 C-N-CA 129.314 3.046 . . . . 0.0 111.8 171.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.295 0.0 OUTLIER -63.01 -37.2 86.25 Favored 'General case' 0 N--CA 1.506 2.345 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 160.339 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.59 153.67 42.03 Favored 'General case' 0 C--O 1.258 1.507 0 CA-C-O 126.443 3.021 . . . . 0.0 110.01 -158.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.516 ' SD ' HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -73.61 109.65 7.08 Favored Pre-proline 0 C--N 1.385 2.125 1 CA-C-N 107.606 -4.361 . . . . 0.0 108.702 143.948 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.493 ' HG3' ' SG ' ' A' ' 41' ' ' CYS 0.286 58.8 Cg_endo -153.41 137.15 0.0 OUTLIER 'Cis proline' 0 CA--C 1.592 3.403 0 CA-C-O 129.602 3.918 . . . . 0.0 120.935 -5.164 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 m -101.07 135.56 42.33 Favored 'General case' 1 CA--C 1.661 5.233 2 C-N-CA 132.924 4.49 . . . . 0.0 104.077 -159.601 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -123.21 137.59 54.85 Favored 'General case' 0 C--N 1.399 2.738 0 CA-C-N 108.99 -3.732 . . . . 0.0 103.612 171.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.32 145.55 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 1 CA-C-N 107.948 -4.206 . . . . 0.0 106.982 -167.225 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -134.72 114.42 12.66 Favored 'General case' 0 N--CA 1.522 3.14 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 -154.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.84 120.77 24.18 Favored 'General case' 0 CA--C 1.609 3.242 1 N-CA-C 96.813 -5.255 . . . . 0.0 96.813 -171.803 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.335 50.9 tptt -101.2 177.9 4.81 Favored 'General case' 0 C--O 1.289 3.168 0 C-N-CA 127.526 2.331 . . . . 0.0 113.92 170.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -59.09 37.08 0.01 OUTLIER 'General case' 1 CA--C 1.653 4.937 0 N-CA-C 120.722 3.601 . . . . 0.0 120.722 147.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -159.46 35.31 0.47 Allowed Glycine 0 C--O 1.19 -2.629 0 N-CA-C 118.909 2.324 . . . . 0.0 118.909 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.28 7.8 mptt 68.82 -164.43 0.19 Allowed 'General case' 0 CA--C 1.583 2.218 0 C-N-CA 127.351 2.26 . . . . 0.0 111.244 -169.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.9 tp -69.97 95.9 0.99 Allowed 'General case' 0 C--N 1.398 2.679 0 C-N-CA 129.754 3.222 . . . . 0.0 111.837 173.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.263 20.4 m -70.15 -51.54 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.94 0 O-C-N 119.544 -1.972 . . . . 0.0 114.36 174.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -152.97 163.61 39.5 Favored 'General case' 0 CA--C 1.587 2.367 0 O-C-N 118.96 -2.338 . . . . 0.0 114.853 -161.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -163.18 123.11 2.22 Favored 'General case' 0 CA--C 1.587 2.386 0 O-C-N 125.986 2.054 . . . . 0.0 112.248 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.8 m -149.65 142.5 24.73 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 104.69 -2.337 . . . . 0.0 104.69 -171.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 p -135.24 106.95 7.18 Favored 'Isoleucine or valine' 0 C--N 1.258 -3.374 0 N-CA-C 102.606 -3.109 . . . . 0.0 102.606 -161.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 176.1 -163.26 32.59 Favored Glycine 0 C--N 1.379 2.946 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 170.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . 0.348 . . -165.32 106.73 0.78 Allowed 'General case' 0 N--CA 1.537 3.888 0 CA-C-O 124.203 1.954 . . . . 0.0 109.933 -176.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -155.85 131.17 9.49 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 125.967 1.707 . . . . 0.0 109.589 -175.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.28 50.5 pttt -41.75 -62.67 0.85 Allowed 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 120.444 3.498 . . . . 0.0 120.444 177.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.267 2.5 p-10 -62.21 -50.27 72.44 Favored 'General case' 0 N--CA 1.527 3.421 0 N-CA-C 121.549 3.907 . . . . 0.0 121.549 158.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -38.14 -64.09 0.85 Allowed Glycine 0 CA--C 1.566 3.219 0 N-CA-C 118.528 2.171 . . . . 0.0 118.528 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.307 60.1 tp -53.56 -56.14 27.9 Favored Pre-proline 0 CA--C 1.588 2.438 0 N-CA-C 117.993 2.59 . . . . 0.0 117.993 172.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -40.46 -43.2 4.09 Favored 'Trans proline' 0 CA--C 1.585 3.028 1 C-N-CA 125.304 4.003 . . . . 0.0 121.331 164.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.297 93.3 m -68.47 -49.85 56.76 Favored 'General case' 0 CA--C 1.597 2.766 0 O-C-N 127.938 3.274 . . . . 0.0 118.307 173.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.9 tp -53.65 -47.42 70.36 Favored 'General case' 1 N--CA 1.543 4.214 0 N-CA-C 119.41 3.115 . . . . 0.0 119.41 166.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.363 57.7 t -61.36 -56.36 18.38 Favored 'Isoleucine or valine' 0 C--N 1.386 2.185 0 C-N-CA 130.087 3.355 . . . . 0.0 115.693 173.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.12 -49.81 50.57 Favored 'General case' 0 CA--C 1.582 2.179 0 N-CA-C 118.04 2.607 . . . . 0.0 118.04 169.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -53.27 -37.99 62.65 Favored 'General case' 0 CA--C 1.616 3.488 0 CA-C-O 124.027 1.87 . . . . 0.0 114.366 168.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.522 80.7 m-70 -66.82 -52.65 41.34 Favored 'General case' 0 CA--C 1.577 2.007 1 N-CA-C 123.113 4.486 . . . . 0.0 123.113 167.679 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 119.565 3.172 . . . . 0.0 119.565 166.431 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.36 12.0 pt-20 . . . . . 0 CA--C 1.547 0.854 0 CA-C-O 121.861 0.839 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.99 165.79 37.62 Favored Glycine 1 CA--C 1.582 4.224 0 CA-C-N 111.998 -2.364 . . . . 0.0 114.638 155.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -152.51 117.4 5.12 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 123.897 1.808 . . . . 0.0 108.685 -164.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.4 t -84.48 118.42 31.65 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.705 0 C-N-CA 127.961 2.504 . . . . 0.0 106.312 174.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.274 0.3 OUTLIER -124.33 126.84 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.021 0 C-N-CA 131.022 3.729 . . . . 0.0 108.34 -175.83 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.76 142.82 58.0 Favored 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 121.393 3.849 . . . . 0.0 121.393 165.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.1 m -149.98 128.95 12.59 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 128.061 2.545 . . . . 0.0 108.783 -170.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -143.55 -17.04 0.63 Allowed 'General case' 0 CA--C 1.582 2.211 0 O-C-N 128.893 3.871 . . . . 0.0 115.928 -165.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.0 p -146.41 -175.56 4.83 Favored 'General case' 0 C--N 1.38 1.917 0 C-N-CA 127.741 2.416 . . . . 0.0 113.07 -160.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -52.75 -22.83 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.532 3.662 0 O-C-N 116.849 -3.657 . . . . 0.0 117.686 162.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.278 20.4 m-20 -44.56 -43.67 8.22 Favored 'General case' 0 N--CA 1.514 2.738 0 N-CA-C 118.475 2.768 . . . . 0.0 118.475 159.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.03 -28.3 68.76 Favored 'General case' 0 CA--C 1.578 2.02 0 N-CA-C 119.688 3.218 . . . . 0.0 119.688 163.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -56.65 -48.62 77.17 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 115.129 -2.367 . . . . 0.0 111.115 162.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.359 28.4 mtmt -55.98 -57.54 11.67 Favored 'General case' 0 N--CA 1.509 2.49 0 N-CA-C 118.414 2.746 . . . . 0.0 118.414 164.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -55.3 -65.36 0.6 Allowed 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 127.447 2.299 . . . . 0.0 114.549 177.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -50.0 -57.55 7.34 Favored 'General case' 0 N--CA 1.52 3.074 0 N-CA-C 117.333 2.345 . . . . 0.0 117.333 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.291 2.4 t80 -60.33 -62.77 1.62 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 127.763 3.164 . . . . 0.0 114.786 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.272 13.4 mm-40 -53.2 -50.27 65.03 Favored 'General case' 0 CA--C 1.598 2.805 0 N-CA-C 120.408 3.485 . . . . 0.0 120.408 174.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -58.29 -60.61 3.5 Favored 'General case' 0 CA--C 1.585 2.298 0 CA-C-O 123.882 1.801 . . . . 0.0 114.457 169.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.89 -88.38 0.01 OUTLIER Glycine 0 C--N 1.392 3.664 0 CA-C-N 113.315 -1.766 . . . . 0.0 112.791 176.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -71.74 97.75 1.83 Allowed 'General case' 0 N--CA 1.513 2.697 0 CA-C-N 113.954 -1.123 . . . . 0.0 111.883 158.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.66 -36.8 0.58 Allowed Glycine 0 CA--C 1.578 3.994 0 N-CA-C 118.042 1.977 . . . . 0.0 118.042 160.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.3 m -104.26 134.31 47.71 Favored 'General case' 0 CA--C 1.582 2.2 1 N-CA-C 99.912 -4.107 . . . . 0.0 99.912 176.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.313 8.1 mp0 -67.84 84.31 0.21 Allowed 'General case' 0 N--CA 1.509 2.512 0 CA-C-N 110.568 -3.014 . . . . 0.0 114.208 163.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -164.78 161.6 20.59 Favored 'General case' 0 CA--C 1.601 2.935 0 C-N-CA 128.706 2.802 . . . . 0.0 108.9 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 tp -95.46 144.37 26.02 Favored 'General case' 0 CA--C 1.57 1.718 2 O-C-N 129.716 4.385 . . . . 0.0 105.789 166.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.304 3.3 pt -138.11 144.47 30.61 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 CA-C-N 110.865 -2.88 . . . . 0.0 105.848 179.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.8 t -136.96 141.7 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.582 0 C-N-CA 128.853 2.861 . . . . 0.0 105.302 -169.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.439 2.6 p -144.01 106.35 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 127.105 2.162 . . . . 0.0 114.362 -168.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -65.04 151.04 47.01 Favored 'General case' 1 N--CA 1.552 4.632 0 CA-C-O 125.322 2.487 . . . . 0.0 113.44 152.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -141.17 99.63 3.62 Favored 'General case' 1 N--CA 1.563 5.182 1 N-CA-C 96.833 -5.247 . . . . 0.0 96.833 -173.496 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.0 t -148.92 140.16 23.17 Favored 'General case' 0 C--O 1.291 3.247 1 N-CA-C 99.678 -4.193 . . . . 0.0 99.678 -162.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.261 . . -78.39 154.38 30.77 Favored 'General case' 1 CA--C 1.65 4.811 0 C-N-CA 127.579 2.351 . . . . 0.0 108.68 167.389 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.251 0.2 OUTLIER -55.91 -48.89 74.85 Favored 'General case' 0 C--O 1.279 2.657 0 CA-C-O 124.774 2.226 . . . . 0.0 114.623 170.497 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 44.9 p-90 -66.66 86.53 0.12 Allowed 'General case' 0 CA--C 1.61 3.256 0 CA-C-N 110.392 -3.094 . . . . 0.0 113.905 161.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.9 t -168.0 89.05 0.68 Allowed Pre-proline 0 N--CA 1.5 2.071 0 CA-C-O 116.434 -1.746 . . . . 0.0 111.611 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -51.26 -40.65 60.8 Favored 'Trans proline' 1 CA--C 1.629 5.267 0 N-CA-C 122.09 3.842 . . . . 0.0 122.09 166.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.25 75.2 Cg_exo -53.49 -55.01 3.98 Favored 'Trans proline' 0 N--CA 1.501 1.964 0 C-N-CA 123.215 2.61 . . . . 0.0 117.746 165.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.321 12.5 m -62.59 -20.76 65.04 Favored 'General case' 0 CA--C 1.584 2.261 0 N-CA-C 120.02 3.341 . . . . 0.0 120.02 162.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -57.62 -39.8 77.73 Favored 'General case' 0 CA--C 1.578 2.046 0 O-C-N 118.249 -2.782 . . . . 0.0 116.984 158.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.402 22.7 ptt? -67.55 -53.39 28.82 Favored 'General case' 0 N--CA 1.508 2.468 0 N-CA-C 117.889 2.551 . . . . 0.0 117.889 154.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.366 1.0 OUTLIER -49.44 -31.7 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 1 N-CA-C 122.192 4.145 . . . . 0.0 122.192 172.732 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.311 . . -54.22 -59.05 11.06 Favored Pre-proline 0 CA--C 1.591 2.538 0 C-N-CA 125.184 1.394 . . . . 0.0 113.843 171.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -54.65 -39.5 88.66 Favored 'Trans proline' 0 CA--C 1.586 3.118 0 N-CA-C 122.317 3.93 . . . . 0.0 122.317 160.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.29 47.2 mm -55.23 -54.38 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.293 0 O-C-N 124.862 1.351 . . . . 0.0 112.514 167.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.87 -47.34 8.25 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 118.475 2.769 . . . . 0.0 118.475 170.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.94 92.43 Favored 'General case' 0 CA--C 1.574 1.89 0 N-CA-C 119.696 3.221 . . . . 0.0 119.696 167.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -56.67 -51.49 68.55 Favored 'General case' 0 N--CA 1.537 3.884 0 N-CA-C 117.025 2.232 . . . . 0.0 117.025 164.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.3 2.2 tm? -53.21 -59.43 4.57 Favored 'General case' 0 CA--C 1.571 1.763 0 O-C-N 125.908 2.005 . . . . 0.0 115.461 168.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.75 -44.64 38.77 Favored 'General case' 0 N--CA 1.526 3.351 0 N-CA-C 117.3 2.333 . . . . 0.0 117.3 167.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -50.52 -45.58 56.72 Favored 'General case' 0 N--CA 1.508 2.435 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 163.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -56.66 -31.29 64.25 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 121.24 3.793 . . . . 0.0 121.24 170.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -131.69 95.09 23.88 Favored Pre-proline 0 N--CA 1.519 2.989 0 C-N-CA 128.648 2.779 . . . . 0.0 112.618 -159.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.429 35.8 Cg_endo -66.14 -40.47 15.48 Favored 'Trans proline' 0 CA--C 1.578 2.695 2 C-N-CA 130.712 7.608 . . . . 0.0 125.972 174.544 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -68.36 3.67 1.64 Allowed 'General case' 0 C--O 1.289 3.141 0 C-N-CA 127.7 2.4 . . . . 0.0 114.669 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.36 6.0 p -144.35 118.45 3.34 Favored 'Isoleucine or valine' 0 C--N 1.392 2.427 0 CA-C-O 126.189 2.899 . . . . 0.0 106.099 -155.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.6 m -87.16 155.89 19.92 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-O 128.21 3.862 . . . . 0.0 109.72 165.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -137.93 144.73 41.4 Favored 'General case' 0 C--N 1.361 1.069 0 CA-C-N 111.611 -2.541 . . . . 0.0 109.755 -172.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 pp -158.06 151.58 23.5 Favored 'General case' 0 CA--C 1.581 2.153 0 CA-C-O 124.468 2.08 . . . . 0.0 108.121 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -137.03 109.6 7.46 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 127.106 3.336 . . . . 0.0 105.898 -169.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.5 t -84.93 122.12 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 1 CA-C-N 107.285 -4.507 . . . . 0.0 102.422 174.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -79.01 115.33 18.62 Favored 'General case' 0 CA--C 1.577 1.984 0 O-C-N 116.301 -3.999 . . . . 0.0 105.354 158.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.381 0.3 OUTLIER -58.47 -42.34 84.08 Favored 'Isoleucine or valine' 0 C--N 1.386 2.172 0 C-N-CA 129.515 3.126 . . . . 0.0 114.774 -175.221 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.274 7.5 m-20 -43.95 -60.09 1.99 Allowed 'General case' 1 N--CA 1.545 4.29 0 C-N-CA 126.819 2.048 . . . . 0.0 110.925 179.253 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.96 -18.65 61.09 Favored 'General case' 0 C--O 1.255 1.347 0 N-CA-C 118.997 2.962 . . . . 0.0 118.997 169.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.5 mt -153.72 51.75 0.7 Allowed 'General case' 1 N--CA 1.548 4.451 0 O-C-N 117.4 -3.313 . . . . 0.0 109.749 -159.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.348 9.4 ptpt -67.13 -56.12 11.34 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 118.157 -2.839 . . . . 0.0 118.044 173.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.332 . . -46.32 -57.9 4.19 Favored 'General case' 0 N--CA 1.394 -3.237 0 O-C-N 127.379 2.925 . . . . 0.0 115.436 177.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.432 HG22 ' NE1' ' A' ' 75' ' ' TRP . 5.4 p -52.62 -52.16 29.13 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.139 0 N-CA-C 121.098 3.74 . . . . 0.0 121.098 158.512 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . 0.47 . . -44.6 -54.32 6.23 Favored 'General case' 1 N--CA 1.585 6.282 0 O-C-N 128.298 3.499 . . . . 0.0 118.458 173.555 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -52.53 -48.12 66.26 Favored 'General case' 0 C--N 1.273 -2.756 0 O-C-N 125.904 2.002 . . . . 0.0 112.689 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.456 0.0 OUTLIER -56.21 -42.13 76.71 Favored 'General case' 1 C--O 1.347 6.189 0 O-C-N 117.306 -3.371 . . . . 0.0 117.066 170.388 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.432 ' NE1' HG22 ' A' ' 71' ' ' VAL 0.491 64.4 m95 -48.49 -54.18 15.25 Favored 'General case' 0 C--N 1.401 2.829 0 O-C-N 117.466 -3.271 . . . . 0.0 117.509 163.648 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.275 18.0 t-20 150.77 65.14 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.463 0 N-CA-C 103.893 -2.632 . . . . 0.0 103.893 154.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.495 HG11 ' HG1' ' A' ' 82' ' ' THR . 70.5 t -135.8 94.05 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.536 3.835 2 N-CA-C 97.401 -5.037 . . . . 0.0 97.401 -160.7 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.85 -17.38 60.6 Favored 'General case' 2 N--CA 1.576 5.831 1 N-CA-C 122.96 4.43 . . . . 0.0 122.96 146.358 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -143.4 151.25 40.18 Favored 'General case' 0 CA--C 1.595 2.71 1 CA-C-O 128.582 4.039 . . . . 0.0 114.239 -168.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.3 mmt -102.06 107.64 53.44 Favored Pre-proline 0 C--O 1.285 2.968 0 CA-C-N 109.411 -3.54 . . . . 0.0 110.385 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.33 0.4 OUTLIER -149.65 154.49 0.0 OUTLIER 'Cis proline' 1 CA--C 1.628 5.178 0 CA-C-O 128.567 3.486 . . . . 0.0 119.597 5.081 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.495 ' HG1' HG11 ' A' ' 77' ' ' VAL 0.36 2.8 m -117.68 136.63 53.21 Favored 'General case' 0 CA--C 1.578 2.024 2 CA-C-N 103.153 -6.385 . . . . 0.0 104.01 -141.023 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -135.16 113.85 11.78 Favored 'General case' 0 C--N 1.379 1.886 1 O-C-N 114.604 -5.06 . . . . 0.0 110.739 -176.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 mt -125.82 136.75 59.86 Favored 'Isoleucine or valine' 1 CA--C 1.632 4.133 0 CA-C-N 109.096 -3.683 . . . . 0.0 103.891 -165.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -116.36 120.3 38.42 Favored 'General case' 0 N--CA 1.406 -2.657 1 CA-C-N 108.054 -4.157 . . . . 0.0 107.587 -165.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.43 119.64 12.15 Favored 'General case' 0 N--CA 1.512 2.668 1 N-CA-C 95.102 -5.888 . . . . 0.0 95.102 -166.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.299 70.2 tttt -120.42 178.58 4.61 Favored 'General case' 0 CA--C 1.588 2.428 0 C-N-CA 129.29 3.036 . . . . 0.0 108.368 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -54.54 40.41 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.288 1 N-CA-C 123.894 4.776 . . . . 0.0 123.894 155.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.37 54.48 0.14 Allowed Glycine 0 N--CA 1.499 2.892 0 C-N-CA 125.305 1.431 . . . . 0.0 114.428 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.497 17.4 ttmt 61.81 -165.08 0.23 Allowed 'General case' 0 N--CA 1.528 3.437 0 C-N-CA 126.332 1.853 . . . . 0.0 113.426 -176.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.3 tp -55.39 104.49 0.13 Allowed 'General case' 0 C--O 1.267 2.004 0 C-N-CA 125.916 1.686 . . . . 0.0 115.265 168.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.407 31.6 m -76.19 -51.15 20.61 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.643 0 C-N-CA 130.165 3.386 . . . . 0.0 115.571 173.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -164.69 162.1 21.11 Favored 'General case' 0 C--N 1.403 2.913 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -169.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.87 144.54 21.47 Favored 'General case' 0 C--O 1.248 1.013 0 O-C-N 126.114 2.134 . . . . 0.0 111.49 -171.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.8 m -165.33 151.89 10.15 Favored 'General case' 0 CA--C 1.603 2.988 0 CA-C-O 126.932 3.253 . . . . 0.0 102.377 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.287 0.2 OUTLIER -134.68 101.69 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.801 0 N-CA-C 100.663 -3.829 . . . . 0.0 100.663 -171.127 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 176.14 112.75 0.32 Allowed Glycine 0 CA--C 1.568 3.371 0 CA-C-N 113.933 -1.485 . . . . 0.0 115.579 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.12 106.51 5.01 Favored 'General case' 0 CA--C 1.585 2.297 0 CA-C-O 116.231 -1.843 . . . . 0.0 113.671 170.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -162.06 113.6 1.66 Allowed 'General case' 0 C--N 1.384 2.089 0 N-CA-C 106.074 -1.825 . . . . 0.0 106.074 -173.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.294 38.2 pttt -39.79 -53.37 2.25 Favored 'General case' 0 CA--C 1.576 1.977 1 N-CA-C 124.885 5.143 . . . . 0.0 124.885 175.978 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.343 0.6 OUTLIER -65.64 -49.1 69.9 Favored 'General case' 0 CA--C 1.579 2.096 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 163.168 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -41.95 -68.7 0.66 Allowed Glycine 0 CA--C 1.55 2.255 0 C-N-CA 128.525 2.964 . . . . 0.0 117.67 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.6 tp -49.62 -48.54 76.09 Favored Pre-proline 0 CA--C 1.585 2.32 0 N-CA-C 117.192 2.293 . . . . 0.0 117.192 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -54.77 -41.06 81.59 Favored 'Trans proline' 0 N--CA 1.529 3.593 0 N-CA-C 122.106 3.848 . . . . 0.0 122.106 161.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.8 m -56.48 -56.28 23.24 Favored 'General case' 0 CA--C 1.589 2.467 0 N-CA-C 118.251 2.686 . . . . 0.0 118.251 166.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.1 tp -56.94 -38.04 72.35 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 119.517 3.154 . . . . 0.0 119.517 167.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.485 38.0 t -58.96 -52.04 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.812 0 C-N-CA 127.247 2.219 . . . . 0.0 116.525 165.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.27 -51.71 42.52 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 119.868 3.284 . . . . 0.0 119.868 170.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -55.94 -42.46 76.18 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 165.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.31 28.1 m-70 -60.69 -45.38 94.4 Favored 'General case' 0 C--N 1.4 2.764 1 N-CA-C 123.129 4.492 . . . . 0.0 123.129 166.362 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.583 2.242 0 N-CA-C 116.801 2.149 . . . . 0.0 116.801 163.115 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.286 11.1 pt-20 . . . . . 0 CA--C 1.558 1.278 0 CA-C-O 124.228 1.966 . . . . 0.0 108.775 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.58 167.22 50.55 Favored Glycine 0 N--CA 1.502 3.09 0 C-N-CA 126.819 2.152 . . . . 0.0 114.16 168.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -151.94 126.41 9.41 Favored 'General case' 0 CA--C 1.57 1.742 0 CA-C-N 112.276 -1.962 . . . . 0.0 106.224 -163.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.282 38.8 t -104.49 119.92 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.962 1 C-N-CA 131.878 4.071 . . . . 0.0 104.176 -177.375 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -135.53 130.99 50.85 Favored 'Isoleucine or valine' 1 N--CA 1.54 4.074 0 C-N-CA 129.686 3.194 . . . . 0.0 105.652 -179.542 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.42 152.94 13.49 Favored 'General case' 0 N--CA 1.515 2.824 0 N-CA-C 117.897 2.554 . . . . 0.0 117.897 153.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.69 ' SG ' HD11 ' A' ' 61' ' ' LEU . 68.9 m -150.41 144.07 25.21 Favored 'General case' 0 CA--C 1.606 3.132 0 CA-C-O 126.473 3.035 . . . . 0.0 108.943 -170.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -137.79 -46.59 0.54 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 119.411 -2.056 . . . . 0.0 116.234 -149.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -145.5 -169.51 3.23 Favored 'General case' 0 CA--C 1.607 3.173 0 C-N-CA 127.319 2.248 . . . . 0.0 113.422 -161.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.4 p -49.48 -18.43 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.533 3.701 0 N-CA-C 119.206 3.039 . . . . 0.0 119.206 156.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -56.22 -44.27 79.4 Favored 'General case' 0 C--N 1.365 1.265 0 O-C-N 117.138 -3.476 . . . . 0.0 115.585 164.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.43 3.8 t -58.6 -32.42 68.98 Favored 'General case' 0 N--CA 1.528 3.466 0 N-CA-C 117.279 2.326 . . . . 0.0 117.279 167.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -51.46 -37.05 46.9 Favored 'General case' 0 N--CA 1.507 2.393 0 N-CA-C 118.215 2.672 . . . . 0.0 118.215 160.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.271 27.6 mtmt -56.88 -59.03 5.65 Favored 'General case' 0 CA--C 1.561 1.396 0 CA-C-O 113.239 -3.267 . . . . 0.0 117.236 156.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -61.39 -64.67 0.87 Allowed 'General case' 0 CA--C 1.585 2.313 0 CA-C-N 121.997 2.18 . . . . 0.0 113.961 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -55.59 -59.76 4.39 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 129.054 2.942 . . . . 0.0 116.158 -178.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.313 1.7 t80 -58.67 -60.51 3.71 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 175.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.261 5.2 mm-40 -47.95 -56.48 7.52 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 120.393 3.479 . . . . 0.0 120.393 173.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -55.35 -60.21 3.72 Favored 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 117.756 2.502 . . . . 0.0 117.756 164.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.05 -86.78 0.01 OUTLIER Glycine 0 CA--C 1.554 2.516 0 N-CA-C 118.763 2.265 . . . . 0.0 118.763 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.508 ' HZ2' ' HE2' ' A' ' 90' ' ' LYS . 17.5 ttmm -69.53 99.17 1.23 Allowed 'General case' 0 CA--C 1.577 2.003 0 CA-C-O 123.713 1.721 . . . . 0.0 111.258 155.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.07 -54.44 0.45 Allowed Glycine 0 CA--C 1.559 2.843 0 CA-C-N 113.058 -1.883 . . . . 0.0 114.484 159.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.3 m -82.24 130.18 35.03 Favored 'General case' 0 CA--C 1.609 3.231 0 O-C-N 128.561 3.153 . . . . 0.0 111.049 171.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -56.75 77.54 0.0 OUTLIER 'General case' 0 CA--C 1.587 2.385 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 162.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -157.89 155.22 29.21 Favored 'General case' 0 CA--C 1.582 2.202 0 C-N-CA 127.712 2.405 . . . . 0.0 108.549 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.273 32.5 tp -76.72 152.48 35.68 Favored 'General case' 0 CA--C 1.606 3.131 0 CA-C-O 125.756 2.693 . . . . 0.0 112.264 152.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.3 pt -145.48 123.85 5.14 Favored 'Isoleucine or valine' 0 CA--C 1.605 3.066 0 N-CA-C 101.011 -3.7 . . . . 0.0 101.011 177.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.9 t -119.85 141.73 38.64 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.019 0 C-N-CA 130.287 3.435 . . . . 0.0 103.796 -177.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.413 6.8 p -151.1 104.56 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.85 0 CA-C-N 113.476 -1.693 . . . . 0.0 109.028 -161.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -58.51 141.69 51.13 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 120.432 3.493 . . . . 0.0 120.432 149.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -131.07 110.04 10.91 Favored 'General case' 0 C--O 1.293 3.381 1 C-N-CA 134.046 4.938 . . . . 0.0 102.158 177.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.414 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 7.2 t -146.71 152.26 38.54 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 103.235 -2.876 . . . . 0.0 103.235 -165.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.25 159.62 20.94 Favored 'General case' 0 N--CA 1.509 2.517 0 C-N-CA 127.156 2.182 . . . . 0.0 115.173 155.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 t -63.16 -43.58 97.89 Favored 'General case' 0 CA--C 1.588 2.414 0 C-N-CA 126.304 1.842 . . . . 0.0 108.433 161.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.297 60.9 p-90 -67.13 67.12 0.07 Allowed 'General case' 0 CA--C 1.613 3.375 0 N-CA-C 117.918 2.562 . . . . 0.0 117.918 162.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.9 t -166.01 89.21 0.88 Allowed Pre-proline 0 N--CA 1.509 2.513 0 O-C-N 121.356 -0.84 . . . . 0.0 108.737 -176.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -54.83 -45.65 39.32 Favored 'Trans proline' 0 CA--C 1.568 2.18 0 C-N-CA 125.151 3.901 . . . . 0.0 118.844 165.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -40.13 -50.53 3.46 Favored 'Trans proline' 1 N--CA 1.564 5.668 0 N-CA-C 122.32 3.931 . . . . 0.0 122.32 162.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.42 5.0 m -69.35 -29.01 66.72 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 117.734 2.494 . . . . 0.0 117.734 164.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.265 57.8 tttp -47.89 -49.73 28.87 Favored 'General case' 0 CA--C 1.581 2.164 0 O-C-N 116.666 -3.771 . . . . 0.0 116.062 161.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.408 3.7 ptt? -60.54 -48.4 81.95 Favored 'General case' 0 CA--C 1.587 2.379 0 CA-C-O 126.016 2.817 . . . . 0.0 118.062 162.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.34 1.0 OUTLIER -55.22 -34.78 33.89 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.547 0 N-CA-C 118.914 2.931 . . . . 0.0 118.914 175.609 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.255 . . -48.56 -60.87 3.82 Favored Pre-proline 0 CA--C 1.584 2.267 0 CA-C-O 115.051 -2.404 . . . . 0.0 114.317 172.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . 0.412 25.8 Cg_exo -53.55 -43.22 59.54 Favored 'Trans proline' 0 CA--C 1.555 1.56 1 C-N-CA 126.098 4.532 . . . . 0.0 118.927 163.405 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.447 29.5 mm -50.16 -56.6 3.44 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.184 0 N-CA-C 121.399 3.851 . . . . 0.0 121.399 162.282 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -54.83 -28.32 48.7 Favored 'General case' 0 N--CA 1.51 2.553 0 C-N-CA 126.467 1.907 . . . . 0.0 113.849 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.93 -45.21 64.61 Favored 'General case' 0 C--O 1.282 2.771 0 N-CA-C 120.652 3.575 . . . . 0.0 120.652 163.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -58.83 -52.4 65.89 Favored 'General case' 0 N--CA 1.516 2.863 0 O-C-N 119.853 -1.78 . . . . 0.0 112.09 166.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.38 -47.09 47.94 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 168.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.74 -45.14 78.06 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 119.542 3.164 . . . . 0.0 119.542 173.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -57.3 -42.7 82.27 Favored 'General case' 0 CA--C 1.563 1.47 0 N-CA-C 115.556 1.688 . . . . 0.0 115.556 166.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.345 33.2 ttmt -51.09 -38.96 54.88 Favored 'General case' 1 CA--C 1.63 4.042 0 N-CA-C 118.706 2.854 . . . . 0.0 118.706 167.855 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . 0.292 2.5 m-85 -134.7 103.88 10.99 Favored Pre-proline 1 CA--C 1.632 4.097 0 O-C-N 125.838 1.961 . . . . 0.0 108.22 -156.618 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.291 44.1 Cg_endo -70.95 -39.16 4.45 Favored 'Trans proline' 0 N--CA 1.526 3.423 2 C-N-CA 129.277 6.651 . . . . 0.0 128.424 167.503 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -57.69 -4.11 0.25 Allowed 'General case' 1 CA--C 1.642 4.494 0 C-N-CA 127.068 2.147 . . . . 0.0 114.192 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.274 3.6 p -144.85 110.66 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.337 0 CA-C-O 125.738 2.685 . . . . 0.0 107.787 -152.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.3 m -65.27 158.15 27.06 Favored 'General case' 0 CA--C 1.606 3.111 0 O-C-N 119.161 -2.212 . . . . 0.0 113.416 164.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -149.44 114.39 5.41 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 117.077 -3.514 . . . . 0.0 109.09 -167.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.69 HD11 ' SG ' ' A' ' 9' ' ' CYS . 1.1 pp -143.74 155.44 44.19 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 126.195 1.798 . . . . 0.0 110.73 -166.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -151.53 121.91 7.32 Favored 'General case' 0 C--O 1.261 1.687 0 CA-C-O 126.236 2.922 . . . . 0.0 108.994 -164.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 70.3 t -94.12 131.41 41.1 Favored 'Isoleucine or valine' 1 CA--C 1.668 5.486 0 C-N-CA 129.273 3.029 . . . . 0.0 108.34 -176.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -75.55 100.73 4.66 Favored 'General case' 0 N--CA 1.512 2.632 0 CA-C-N 112.081 -2.327 . . . . 0.0 110.199 157.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.321 2.9 p -45.46 -42.81 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.446 0 C-N-CA 129.643 3.177 . . . . 0.0 118.341 173.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.462 8.5 m-20 -53.43 -54.38 37.8 Favored 'General case' 0 N--CA 1.533 3.696 0 CA-C-N 120.702 1.592 . . . . 0.0 111.774 169.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.399 42.7 mt-10 -52.21 -31.37 31.58 Favored 'General case' 0 CA--C 1.605 3.093 0 N-CA-C 118.214 2.672 . . . . 0.0 118.214 170.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.6 mt -156.09 64.9 0.57 Allowed 'General case' 0 CA--C 1.624 3.82 0 O-C-N 116.622 -3.799 . . . . 0.0 107.153 -170.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -63.54 -49.2 74.4 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 119.285 3.068 . . . . 0.0 119.285 165.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.92 -63.91 0.97 Allowed 'General case' 1 CA--C 1.636 4.288 0 N-CA-C 119.143 3.016 . . . . 0.0 119.143 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.0 p -59.57 -35.6 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.197 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 164.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.82 -51.34 67.82 Favored 'General case' 0 N--CA 1.515 2.81 0 O-C-N 117.485 -3.259 . . . . 0.0 113.99 170.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -50.88 -50.49 57.07 Favored 'General case' 0 N--CA 1.491 1.609 1 CA-C-O 109.656 -4.973 . . . . 0.0 109.492 172.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.478 0.0 OUTLIER -48.73 -56.77 7.65 Favored 'General case' 0 CA--C 1.617 3.545 0 O-C-N 127.113 2.758 . . . . 0.0 115.644 177.601 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -59.49 -43.57 93.28 Favored 'General case' 0 C--N 1.41 3.197 0 CA-C-O 116.289 -1.815 . . . . 0.0 111.829 176.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.409 28.8 t-20 147.61 86.66 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 113.769 -3.015 . . . . 0.0 107.782 148.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.1 t -145.9 86.86 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.433 1 N-CA-C 98.286 -4.709 . . . . 0.0 98.286 -169.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.306 0.0 OUTLIER -85.24 -9.36 57.84 Favored 'General case' 0 N--CA 1.415 -2.183 0 C-N-CA 129.62 3.168 . . . . 0.0 116.627 148.461 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . 0.338 . . -152.66 143.76 23.1 Favored 'General case' 0 N--CA 1.537 3.879 0 CA-C-O 125.445 2.545 . . . . 0.0 112.008 -170.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.414 ' SD ' ' HA ' ' A' ' 34' ' ' THR . 12.4 mmt -67.82 128.23 93.4 Favored Pre-proline 1 CA--C 1.66 5.181 0 N-CA-C 117.215 2.302 . . . . 0.0 117.215 153.72 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.46 93.5 Cg_endo -143.24 159.33 0.0 OUTLIER 'Cis proline' 0 C--O 1.158 -3.489 1 C-N-CA 117.095 -4.127 . . . . 0.0 116.563 -15.634 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 m -131.32 121.08 24.08 Favored 'General case' 0 C--O 1.271 2.195 1 CA-C-N 107.154 -4.567 . . . . 0.0 111.083 -140.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -99.63 128.44 45.74 Favored 'General case' 0 C--N 1.381 1.945 1 CA-C-O 129.862 4.649 . . . . 0.0 110.748 173.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.257 2.0 mt -128.09 134.8 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.542 0 CA-C-N 109.138 -3.664 . . . . 0.0 108.225 -174.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -123.46 104.88 9.35 Favored 'General case' 0 C--O 1.264 1.831 2 O-C-N 131.819 5.699 . . . . 0.0 101.942 -166.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.98 129.47 49.3 Favored 'General case' 0 C--N 1.382 1.988 1 CA-C-O 129.164 4.316 . . . . 0.0 101.313 -179.195 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.306 52.8 tttt -141.06 169.07 18.31 Favored 'General case' 0 N--CA 1.527 3.399 0 O-C-N 117.555 -3.216 . . . . 0.0 105.826 -172.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -51.76 57.94 0.0 OUTLIER 'General case' 0 C--N 1.392 2.436 1 N-CA-C 122.474 4.249 . . . . 0.0 122.474 163.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 175.59 51.32 0.06 OUTLIER Glycine 0 CA--C 1.556 2.64 0 C-N-CA 128.241 2.829 . . . . 0.0 110.125 167.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.508 ' HE2' ' HZ2' ' A' ' 23' ' ' LYS . 11.5 ttmt 57.81 -160.01 0.25 Allowed 'General case' 0 CA--C 1.618 3.569 0 CA-C-N 122.655 3.228 . . . . 0.0 115.962 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.9 tp -61.48 86.8 0.02 OUTLIER 'General case' 0 CA--C 1.581 2.14 0 C-N-CA 129.152 2.981 . . . . 0.0 118.108 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.271 27.7 m -68.37 -50.56 55.9 Favored 'Isoleucine or valine' 0 CA--C 1.613 3.384 1 CA-C-O 111.489 -4.1 . . . . 0.0 118.191 175.516 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -157.38 164.08 37.91 Favored 'General case' 0 CA--C 1.615 3.448 0 CA-C-N 122.684 2.493 . . . . 0.0 108.053 -166.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.36 144.3 20.72 Favored 'General case' 0 C--O 1.275 2.41 0 O-C-N 126.701 2.5 . . . . 0.0 112.583 -177.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 36.6 m -162.11 111.66 1.5 Allowed 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 103.451 -2.796 . . . . 0.0 103.451 -177.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.25 4.0 p -93.08 97.43 7.17 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.358 0 C-N-CA 130.372 3.469 . . . . 0.0 106.136 176.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 152.88 99.13 0.18 Allowed Glycine 0 C--O 1.29 3.616 0 CA-C-N 112.79 -2.004 . . . . 0.0 112.518 160.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.36 134.25 18.92 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 118.762 2.875 . . . . 0.0 118.762 166.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -153.75 133.22 12.83 Favored 'General case' 0 C--N 1.397 2.647 0 N-CA-C 102.261 -3.237 . . . . 0.0 102.261 -175.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.292 54.3 pttt -50.11 -58.64 5.1 Favored 'General case' 0 CA--C 1.612 3.337 0 N-CA-C 118.577 2.806 . . . . 0.0 118.577 178.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -70.27 -44.53 68.23 Favored 'General case' 0 CA--C 1.614 3.43 0 N-CA-C 118.873 2.916 . . . . 0.0 118.873 168.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -48.85 -43.2 30.23 Favored Glycine 0 C--N 1.344 0.976 0 CA-C-O 125.703 2.835 . . . . 0.0 119.79 177.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.279 37.8 tp -53.41 -68.8 0.4 Allowed Pre-proline 0 CA--C 1.602 2.98 0 O-C-N 117.284 -3.48 . . . . 0.0 109.933 168.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -38.08 -42.3 1.46 Allowed 'Trans proline' 0 C--O 1.214 -0.681 3 C-N-CA 127.564 5.509 . . . . 0.0 124.592 157.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 m -56.79 -60.57 3.37 Favored 'General case' 0 C--O 1.269 2.079 0 N-CA-C 118.303 2.705 . . . . 0.0 118.303 173.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 40.8 tp -58.98 -51.28 70.76 Favored 'General case' 0 CA--C 1.587 2.369 0 C-N-CA 127.706 2.402 . . . . 0.0 116.129 170.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 62.0 t -52.06 -55.6 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 CA-C-N 122.08 2.218 . . . . 0.0 112.55 173.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.79 -41.89 24.59 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 119.992 3.33 . . . . 0.0 119.992 168.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -58.53 -48.11 81.95 Favored 'General case' 0 CA--C 1.6 2.889 0 N-CA-C 117.792 2.516 . . . . 0.0 117.792 158.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.356 4.2 m-70 -59.87 -66.69 0.48 Allowed 'General case' 0 CA--C 1.577 1.986 0 C-N-CA 129.631 3.172 . . . . 0.0 113.543 174.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.525 3.277 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 172.193 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.423 8.2 pt-20 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 123.952 1.834 . . . . 0.0 115.857 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.6 170.38 13.08 Favored Glycine 0 N--CA 1.507 3.408 0 CA-C-N 110.976 -2.829 . . . . 0.0 117.219 157.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -150.22 108.57 3.78 Favored 'General case' 0 CA--C 1.567 1.602 0 CA-C-O 123.268 1.508 . . . . 0.0 108.361 -165.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.9 t -82.21 126.26 39.93 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 CA-C-N 112.41 -2.177 . . . . 0.0 107.594 173.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.251 0.3 OUTLIER -132.32 129.96 59.95 Favored 'Isoleucine or valine' 0 C--O 1.303 3.919 0 C-N-CA 128.572 2.749 . . . . 0.0 104.052 -177.568 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.93 149.92 49.18 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 119.502 -1.999 . . . . 0.0 115.315 159.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.454 ' SG ' HD11 ' A' ' 61' ' ' LEU . 66.9 m -149.7 125.57 10.51 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-O 125.101 2.381 . . . . 0.0 106.153 -164.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -123.47 -41.0 2.31 Favored 'General case' 0 CA--C 1.618 3.586 0 C-N-CA 130.868 3.667 . . . . 0.0 113.7 -160.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.2 p -149.54 -170.96 3.77 Favored 'General case' 0 CA--C 1.592 2.589 0 C-N-CA 126.749 2.02 . . . . 0.0 108.806 -167.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 p -59.37 -11.14 2.25 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.98 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 172.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.42 -38.96 72.26 Favored 'General case' 0 CA--C 1.586 2.348 1 CA-C-O 110.421 -4.609 . . . . 0.0 115.92 153.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.49 -38.51 59.66 Favored 'General case' 0 CA--C 1.617 3.542 0 CA-C-N 124.745 3.43 . . . . 0.0 115.996 158.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 41.0 m95 -51.4 -52.22 47.86 Favored 'General case' 0 N--CA 1.504 2.239 0 CA-C-N 120.948 1.704 . . . . 0.0 115.332 165.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.357 38.1 mtmt -52.08 -34.67 44.92 Favored 'General case' 0 CA--C 1.606 3.111 1 N-CA-C 121.81 4.004 . . . . 0.0 121.81 163.919 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -73.05 -63.51 1.16 Allowed 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 173.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -59.6 -58.41 8.72 Favored 'General case' 0 N--CA 1.506 2.343 1 C-N-CA 134.496 5.119 . . . . 0.0 119.079 -172.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.301 0.2 OUTLIER -64.52 -53.65 44.64 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 128.025 2.53 . . . . 0.0 116.665 174.024 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -49.14 -53.22 21.89 Favored 'General case' 0 C--O 1.268 2.076 0 N-CA-C 118.704 2.853 . . . . 0.0 118.704 166.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -57.65 -59.23 5.51 Favored 'General case' 0 CA--C 1.614 3.431 0 CA-C-O 123.456 1.598 . . . . 0.0 114.018 169.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.2 -83.79 0.02 OUTLIER Glycine 0 C--O 1.256 1.476 0 CA-C-O 123.576 1.653 . . . . 0.0 116.61 177.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -80.58 92.55 5.95 Favored 'General case' 0 C--N 1.288 -2.089 0 C-N-CA 126.141 1.776 . . . . 0.0 109.562 162.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.39 -31.64 0.23 Allowed Glycine 0 CA--C 1.55 2.224 0 CA-C-N 111.633 -2.53 . . . . 0.0 115.608 167.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.4 m -119.52 136.31 54.4 Favored 'General case' 0 CA--C 1.602 2.963 0 C-N-CA 131.536 3.934 . . . . 0.0 101.994 -167.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -70.08 74.53 0.48 Allowed 'General case' 0 CA--C 1.597 2.785 0 C-N-CA 127.13 2.172 . . . . 0.0 114.304 163.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -156.0 156.22 34.08 Favored 'General case' 0 CA--C 1.585 2.316 0 CA-C-O 125.721 2.677 . . . . 0.0 108.313 -178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 tp -79.15 138.13 37.76 Favored 'General case' 0 CA--C 1.627 3.916 0 CA-C-N 111.52 -2.582 . . . . 0.0 115.615 152.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.433 1.0 OUTLIER -133.71 121.71 41.04 Favored 'Isoleucine or valine' 0 CA--C 1.627 3.941 0 C-N-CA 131.276 3.831 . . . . 0.0 107.039 -177.513 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.4 t -129.65 131.17 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 CA-C-N 111.886 -2.415 . . . . 0.0 105.483 -160.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.28 2.5 p -138.99 104.95 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.318 1 O-C-N 129.804 4.44 . . . . 0.0 115.665 -164.955 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -62.87 148.55 46.84 Favored 'General case' 0 N--CA 1.521 3.124 0 CA-C-O 124.542 2.115 . . . . 0.0 110.172 158.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -144.7 98.11 3.13 Favored 'General case' 0 C--N 1.406 3.06 1 N-CA-C 98.01 -4.811 . . . . 0.0 98.01 -178.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.53 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 8.5 t -153.95 151.68 29.7 Favored 'General case' 0 CA--C 1.585 2.308 0 CA-C-O 128.174 3.845 . . . . 0.0 103.456 -172.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.33 . . -77.36 134.26 38.52 Favored 'General case' 0 C--O 1.296 3.506 1 CA-C-N 108.324 -4.035 . . . . 0.0 116.752 160.887 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.3 t -47.87 -40.48 21.7 Favored 'General case' 0 CA--C 1.567 1.625 0 N-CA-C 118.182 2.66 . . . . 0.0 118.182 169.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 p-90 -68.64 88.55 0.36 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 127.515 3.009 . . . . 0.0 111.288 152.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.9 t -177.09 96.89 0.23 Allowed Pre-proline 0 C--O 1.182 -2.487 0 O-C-N 117.207 -3.433 . . . . 0.0 106.106 176.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -52.21 -48.79 19.94 Favored 'Trans proline' 0 N--CA 1.505 2.17 1 C-N-CA 126.851 5.034 . . . . 0.0 115.163 168.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.321 24.6 Cg_exo -44.73 -45.34 13.57 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 124.651 3.568 . . . . 0.0 118.204 167.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.405 ' SG ' HG22 ' A' ' 44' ' ' ILE 0.601 78.5 m -69.78 -31.63 69.66 Favored 'General case' 0 C--O 1.205 -1.281 1 N-CA-C 123.402 4.593 . . . . 0.0 123.402 165.587 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -57.43 -45.85 84.2 Favored 'General case' 0 N--CA 1.505 2.314 0 N-CA-C 119.596 3.184 . . . . 0.0 119.596 159.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 15.0 ptm -64.17 -48.23 76.79 Favored 'General case' 0 C--N 1.399 2.747 0 CA-C-N 121.678 2.036 . . . . 0.0 113.371 159.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.405 HG22 ' SG ' ' A' ' 41' ' ' CYS 0.588 1.0 OUTLIER -45.77 -38.37 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.742 1 N-CA-C 123.335 4.569 . . . . 0.0 123.335 169.341 . . . . . . . . 5 4 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.74 -54.54 48.22 Favored Pre-proline 0 CA--C 1.614 3.405 0 CA-C-O 114.036 -2.888 . . . . 0.0 117.87 169.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -45.96 -44.26 18.96 Favored 'Trans proline' 0 CA--C 1.583 2.949 0 C-N-CA 124.869 3.712 . . . . 0.0 120.543 153.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.308 28.5 mm -52.16 -57.08 4.32 Favored 'Isoleucine or valine' 1 N--CA 1.55 4.556 0 CA-C-N 122.039 2.2 . . . . 0.0 113.81 163.11 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -44.02 -44.56 7.42 Favored 'General case' 0 N--CA 1.519 2.989 0 N-CA-C 118.792 2.886 . . . . 0.0 118.792 171.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.16 -45.74 76.14 Favored 'General case' 0 CA--C 1.62 3.648 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 168.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -53.9 -52.62 59.95 Favored 'General case' 0 CA--C 1.599 2.828 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 168.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.374 1.4 tm? -62.91 -36.0 81.93 Favored 'General case' 0 C--O 1.192 -1.965 0 C-N-CA 126.22 1.808 . . . . 0.0 113.3 174.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.26 77.61 Favored 'General case' 0 C--N 1.378 1.816 0 O-C-N 118.703 -2.498 . . . . 0.0 117.071 160.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -60.2 -33.04 71.68 Favored 'General case' 0 CA--C 1.605 3.075 0 CA-C-O 114.268 -2.777 . . . . 0.0 117.676 165.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.26 39.3 ttmt -65.63 -30.96 71.74 Favored 'General case' 0 C--O 1.28 2.698 0 C-N-CA 127.703 2.401 . . . . 0.0 116.958 167.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -140.47 97.56 7.48 Favored Pre-proline 0 CA--C 1.625 3.854 0 C-N-CA 127.385 2.274 . . . . 0.0 107.595 -157.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -85.99 -6.21 8.54 Favored 'Trans proline' 0 N--CA 1.497 1.725 2 C-N-CA 132.313 8.676 . . . . 0.0 129.41 170.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.512 HD22 ' HB1' ' A' ' 111' ' ' ALA . 1.7 p30 -76.89 11.57 1.7 Allowed 'General case' 0 N--CA 1.514 2.729 1 O-C-N 116.027 -4.17 . . . . 0.0 117.187 164.9 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.373 3.4 p -149.16 99.78 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.627 3.929 0 CA-C-O 117.112 -1.423 . . . . 0.0 107.961 -151.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.3 m -61.17 151.77 30.46 Favored 'General case' 0 N--CA 1.533 3.691 0 CA-C-O 125.618 2.628 . . . . 0.0 113.004 160.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -138.87 144.03 39.0 Favored 'General case' 0 C--O 1.201 -1.478 0 C-N-CA 127.126 2.171 . . . . 0.0 111.01 -172.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.454 HD11 ' SG ' ' A' ' 9' ' ' CYS 0.306 1.5 pp -155.08 164.86 38.27 Favored 'General case' 0 CA--C 1.628 3.951 0 CA-C-O 124.834 2.254 . . . . 0.0 108.555 -174.476 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.334 10.3 ptmm? -152.91 107.61 3.18 Favored 'General case' 0 CA--C 1.617 3.537 0 CA-C-N 110.617 -2.992 . . . . 0.0 116.892 -168.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.0 t -92.24 119.55 39.93 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.049 0 C-N-CA 130.806 3.642 . . . . 0.0 106.299 -169.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -69.58 105.51 2.69 Favored 'General case' 0 C--O 1.196 -1.719 0 N-CA-C 103.021 -2.955 . . . . 0.0 103.021 163.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.48 HG13 ' SD ' ' A' ' 80' ' ' MET 0.399 1.1 p -52.47 -39.32 28.65 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.265 0 N-CA-C 120.191 3.404 . . . . 0.0 120.191 178.081 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.34 21.5 m-20 -51.6 -54.66 25.39 Favored 'General case' 0 N--CA 1.536 3.831 0 CA-C-N 112.665 -2.061 . . . . 0.0 111.377 175.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -52.58 -26.74 14.23 Favored 'General case' 0 C--O 1.284 2.912 0 N-CA-C 119.414 3.116 . . . . 0.0 119.414 159.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.3 mt -159.02 53.73 0.41 Allowed 'General case' 0 N--CA 1.507 2.417 0 CA-C-N 125.286 3.675 . . . . 0.0 107.867 -160.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -69.4 -50.22 48.05 Favored 'General case' 0 C--N 1.386 2.194 0 CA-C-N 111.172 -2.74 . . . . 0.0 117.477 171.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.2 -60.27 3.41 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 117.077 -3.514 . . . . 0.0 119.296 174.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.667 HG22 ' HE1' ' A' ' 75' ' ' TRP . 11.2 p -50.2 -51.19 18.39 Favored 'Isoleucine or valine' 0 C--O 1.295 3.46 0 N-CA-C 117.936 2.569 . . . . 0.0 117.936 164.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.79 -59.27 2.61 Favored 'General case' 0 C--N 1.389 2.324 0 CA-C-O 115.588 -2.149 . . . . 0.0 112.615 171.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -53.71 -46.08 70.64 Favored 'General case' 0 CA--C 1.597 2.772 1 CA-C-O 109.373 -5.108 . . . . 0.0 112.014 173.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.524 0.0 OUTLIER -51.65 -51.23 57.47 Favored 'General case' 0 C--O 1.205 -1.243 1 N-CA-C 124.055 4.835 . . . . 0.0 124.055 171.947 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.667 ' HE1' HG22 ' A' ' 71' ' ' VAL 0.321 31.7 m95 -50.95 -53.22 34.83 Favored 'General case' 0 N--CA 1.527 3.38 0 CA-C-O 112.553 -3.594 . . . . 0.0 116.113 162.499 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 149.69 82.04 0.0 OUTLIER 'General case' 0 CA--C 1.579 2.064 1 O-C-N 130.31 4.756 . . . . 0.0 105.623 150.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . 0.263 61.6 t -130.2 78.72 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 126.521 2.388 . . . . 0.0 109.479 -174.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.312 8.4 pt-20 -71.85 -12.42 61.27 Favored 'General case' 0 N--CA 1.516 2.86 0 N-CA-C 120.942 3.682 . . . . 0.0 120.942 158.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.26 145.49 26.23 Favored 'General case' 0 CA--C 1.576 1.969 0 CA-C-N 114.492 -1.231 . . . . 0.0 113.98 -163.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.53 ' SD ' ' HA ' ' A' ' 34' ' ' THR 0.398 12.2 mmt -73.78 121.96 86.44 Favored Pre-proline 0 C--O 1.305 3.993 0 CA-C-O 113.071 -3.347 . . . . 0.0 105.017 167.742 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.302 67.6 Cg_endo -151.97 150.9 0.0 OUTLIER 'Cis proline' 0 CA--C 1.603 3.971 1 CA-C-O 131.488 4.704 . . . . 0.0 118.619 -17.846 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.9 m -120.43 130.64 54.42 Favored 'General case' 0 CA--C 1.621 3.69 1 CA-C-O 130.591 4.996 . . . . 0.0 105.118 -137.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -119.49 109.67 16.0 Favored 'General case' 0 CA--C 1.61 3.264 0 C-N-CA 130.601 3.56 . . . . 0.0 105.151 -174.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.372 2.7 mt -106.31 137.7 35.41 Favored 'Isoleucine or valine' 1 CA--C 1.64 4.439 0 CA-C-N 109.646 -3.434 . . . . 0.0 106.452 -172.323 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -130.7 105.8 8.05 Favored 'General case' 0 CA--C 1.581 2.162 0 N-CA-C 101.99 -3.337 . . . . 0.0 101.99 -158.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.77 128.18 24.44 Favored 'General case' 0 CA--C 1.571 1.754 0 O-C-N 118.471 -2.643 . . . . 0.0 104.684 -167.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -127.4 175.32 8.3 Favored 'General case' 0 C--N 1.293 -1.854 1 C-N-CA 133.144 4.577 . . . . 0.0 115.624 -172.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -53.56 55.53 0.0 OUTLIER 'General case' 1 N--CA 1.561 5.091 0 O-C-N 120.04 -1.663 . . . . 0.0 114.211 150.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.85 22.95 0.06 OUTLIER Glycine 1 CA--C 1.601 5.435 0 CA-C-O 116.124 -2.486 . . . . 0.0 111.186 177.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.417 ' HG2' ' H ' ' A' ' 91' ' ' LEU 0.556 12.4 ttmt 65.7 -167.15 0.22 Allowed 'General case' 0 CA--C 1.592 2.567 0 CA-C-N 122.269 3.034 . . . . 0.0 117.146 -160.587 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.417 ' H ' ' HG2' ' A' ' 90' ' ' LYS . 55.6 tp -59.44 101.37 0.1 Allowed 'General case' 0 C--O 1.295 3.486 0 CA-C-O 126.618 3.104 . . . . 0.0 113.051 172.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.384 11.1 m -74.96 -40.23 45.31 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.289 0 N-CA-C 119.801 3.26 . . . . 0.0 119.801 171.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -165.33 171.13 13.86 Favored 'General case' 0 CA--C 1.615 3.476 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -171.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.96 137.69 12.15 Favored 'General case' 0 C--N 1.368 1.391 0 CA-C-N 113.742 -1.572 . . . . 0.0 109.69 -173.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.3 m -166.98 141.68 3.99 Favored 'General case' 0 C--O 1.262 1.73 0 N-CA-C 100.629 -3.841 . . . . 0.0 100.629 177.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.33 96.37 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.169 1 CA-C-N 108.121 -4.127 . . . . 0.0 109.534 -171.026 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.37 106.99 0.19 Allowed Glycine 0 CA--C 1.552 2.384 0 CA-C-N 111.097 -2.774 . . . . 0.0 116.347 171.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.27 120.1 10.92 Favored 'General case' 0 N--CA 1.505 2.281 0 C-N-CA 125.47 1.508 . . . . 0.0 113.41 168.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -164.06 125.95 2.35 Favored 'General case' 0 C--N 1.394 2.535 0 N-CA-C 103.497 -2.779 . . . . 0.0 103.497 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.368 57.3 pttt -43.41 -51.11 6.7 Favored 'General case' 0 CA--C 1.596 2.738 1 N-CA-C 122.06 4.096 . . . . 0.0 122.06 -179.357 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.366 2.3 p30 -74.9 -51.92 12.59 Favored 'General case' 0 C--O 1.271 2.228 0 C-N-CA 127.324 2.25 . . . . 0.0 116.404 173.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -51.07 -48.7 45.55 Favored Glycine 0 C--N 1.365 2.162 0 N-CA-C 118.532 2.173 . . . . 0.0 118.532 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.288 44.9 tp -54.82 -53.16 63.93 Favored Pre-proline 0 CA--C 1.607 3.137 0 C-N-CA 126.364 1.866 . . . . 0.0 114.936 175.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -45.48 -51.18 8.32 Favored 'Trans proline' 0 C--N 1.413 3.971 0 N-CA-C 120.516 3.237 . . . . 0.0 120.516 157.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.255 90.5 m -50.19 -50.93 47.8 Favored 'General case' 0 CA--C 1.622 3.744 0 CA-C-O 113.66 -3.067 . . . . 0.0 117.64 164.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.255 41.4 tp -52.55 -60.83 2.76 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 117.618 2.451 . . . . 0.0 117.618 168.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.3 t -49.7 -50.52 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.274 0 N-CA-C 121.252 3.797 . . . . 0.0 121.252 167.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.84 -53.4 32.56 Favored 'General case' 0 C--O 1.195 -1.812 0 O-C-N 118.826 -2.421 . . . . 0.0 114.23 168.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -47.33 -48.87 25.16 Favored 'General case' 0 C--N 1.408 3.124 0 O-C-N 119.537 -1.977 . . . . 0.0 113.016 162.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.513 16.1 m-70 -56.97 -64.16 0.97 Allowed 'General case' 0 C--N 1.382 2.009 0 N-CA-C 119.585 3.18 . . . . 0.0 119.585 174.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.512 ' HB1' HD22 ' A' ' 57' ' ' ASN . . . . . . . . 0 CA--C 1.547 0.846 0 O-C-N 128.848 3.842 . . . . 0.0 118.818 169.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 . . . . . 0 N--CA 1.5 2.031 1 CA-C-O 129.249 4.357 . . . . 0.0 112.221 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.91 165.22 53.1 Favored Glycine 0 N--CA 1.48 1.624 0 CA-C-N 110.521 -3.036 . . . . 0.0 108.864 164.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -145.61 110.89 5.31 Favored 'General case' 0 CA--C 1.589 2.442 0 CA-C-N 110.308 -2.946 . . . . 0.0 105.748 -161.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.3 t -83.72 131.3 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 C-N-CA 127.533 2.333 . . . . 0.0 111.13 167.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.543 HD11 ' HE2' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -133.45 117.32 27.33 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.807 0 N-CA-C 102.619 -3.104 . . . . 0.0 102.619 -170.04 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.28 137.9 57.85 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 118.722 -2.486 . . . . 0.0 113.936 165.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.4 m -141.36 147.31 37.86 Favored 'General case' 0 C--O 1.188 -2.182 0 C-N-CA 129.336 3.054 . . . . 0.0 108.666 -160.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -147.37 -52.2 0.2 Allowed 'General case' 0 N--CA 1.519 3.025 0 O-C-N 120.176 -1.577 . . . . 0.0 112.398 -155.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 p -137.53 -166.41 1.94 Allowed 'General case' 0 CA--C 1.591 2.544 0 C-N-CA 127.535 2.334 . . . . 0.0 111.278 -155.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 p -54.65 -20.07 4.86 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.979 0 N-CA-C 118.33 2.715 . . . . 0.0 118.33 160.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -56.22 -39.37 72.37 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 117.719 -3.113 . . . . 0.0 118.436 164.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.397 0.6 OUTLIER -60.2 -39.4 86.42 Favored 'General case' 0 CA--C 1.579 2.067 0 N-CA-C 118.497 2.777 . . . . 0.0 118.497 158.493 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -50.94 -41.64 59.19 Favored 'General case' 0 CA--C 1.577 2.017 0 O-C-N 128.003 3.314 . . . . 0.0 116.218 171.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -64.49 -40.86 96.46 Favored 'General case' 0 CA--C 1.582 2.196 1 N-CA-C 122.136 4.125 . . . . 0.0 122.136 160.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.543 ' HE2' HD11 ' A' ' 7' ' ' ILE . 33.3 mt-10 -58.27 -58.85 6.68 Favored 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 116.786 2.143 . . . . 0.0 116.786 169.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -58.37 -59.64 5.03 Favored 'General case' 0 C--O 1.201 -1.489 1 C-N-CA 131.845 4.058 . . . . 0.0 116.119 -177.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.383 85.8 t80 -57.48 -55.86 29.36 Favored 'General case' 0 N--CA 1.522 3.148 0 N-CA-C 120.347 3.462 . . . . 0.0 120.347 172.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -56.94 -53.69 55.13 Favored 'General case' 0 N--CA 1.514 2.753 0 O-C-N 126.348 2.28 . . . . 0.0 114.135 171.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.277 27.1 mmtp -54.44 -62.25 1.78 Allowed 'General case' 0 N--CA 1.51 2.556 0 CA-C-N 123.051 2.66 . . . . 0.0 112.6 167.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -37.59 -95.99 0.01 OUTLIER Glycine 1 CA--C 1.587 4.58 0 C-N-CA 128.603 3.002 . . . . 0.0 113.129 176.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -74.84 99.18 3.7 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 123.445 1.593 . . . . 0.0 109.173 162.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.65 -26.54 0.46 Allowed Glycine 1 CA--C 1.584 4.371 0 CA-C-O 126.159 3.088 . . . . 0.0 116.801 159.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.6 m -123.31 118.33 27.3 Favored 'General case' 0 CA--C 1.571 1.784 0 C-N-CA 131.623 3.969 . . . . 0.0 107.517 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.264 1.8 mp0 -59.16 70.31 0.01 OUTLIER 'General case' 1 N--CA 1.539 4.001 0 CA-C-N 110.073 -3.24 . . . . 0.0 113.779 176.069 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -158.26 155.95 29.82 Favored 'General case' 0 C--N 1.29 -2.02 0 CA-C-O 125.135 2.398 . . . . 0.0 105.073 -177.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 tp -71.35 150.57 44.96 Favored 'General case' 0 C--O 1.197 -1.682 0 C-N-CA 126.767 2.027 . . . . 0.0 110.579 154.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.251 1.4 pt -142.08 132.47 24.69 Favored 'Isoleucine or valine' 0 C--O 1.265 1.912 0 N-CA-C 101.216 -3.624 . . . . 0.0 101.216 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -138.28 129.7 37.42 Favored 'Isoleucine or valine' 1 N--CA 1.54 4.038 0 O-C-N 117.891 -3.006 . . . . 0.0 102.937 -167.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.335 2.6 p -140.84 111.55 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.166 0 CA-C-O 125.221 2.438 . . . . 0.0 110.138 -159.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -76.47 108.16 9.25 Favored 'General case' 0 N--CA 1.499 2.003 0 C-N-CA 128.911 2.885 . . . . 0.0 111.464 167.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -87.31 114.01 23.54 Favored 'General case' 0 N--CA 1.509 2.489 0 O-C-N 125.827 1.954 . . . . 0.0 108.961 156.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.711 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 11.4 t -153.79 155.27 35.53 Favored 'General case' 0 CA--C 1.56 1.359 0 CA-C-N 111.514 -2.585 . . . . 0.0 104.371 -175.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.07 146.53 25.45 Favored 'General case' 0 C--N 1.251 -3.693 0 C-N-CA 129.825 3.25 . . . . 0.0 108.788 173.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -42.41 -46.32 4.66 Favored 'General case' 1 N--CA 1.573 5.712 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 171.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 -72.3 89.4 1.21 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.705 2.002 . . . . 0.0 113.125 166.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.8 t -165.68 82.01 1.1 Allowed Pre-proline 0 N--CA 1.488 1.474 0 C-N-CA 128.243 2.617 . . . . 0.0 109.1 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -53.62 -42.69 63.95 Favored 'Trans proline' 0 CA--C 1.554 1.485 0 C-N-CA 123.735 2.957 . . . . 0.0 118.922 167.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -51.24 -58.88 1.38 Allowed 'Trans proline' 1 C--N 1.416 4.131 0 C-N-CA 125.26 3.973 . . . . 0.0 112.194 163.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.299 62.8 m -55.46 -21.86 18.07 Favored 'General case' 0 C--O 1.272 2.251 0 N-CA-C 120.989 3.7 . . . . 0.0 120.989 162.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -53.81 -56.62 15.93 Favored 'General case' 0 CA--C 1.564 1.497 0 O-C-N 116.833 -3.667 . . . . 0.0 111.048 162.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.374 2.1 ptt? -64.03 -40.65 96.79 Favored 'General case' 0 N--CA 1.535 3.78 0 N-CA-C 118.59 2.811 . . . . 0.0 118.59 161.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.344 1.0 OUTLIER -56.9 -35.53 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.697 0 O-C-N 117.655 -3.153 . . . . 0.0 116.36 169.336 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.394 . . -50.33 -57.31 13.35 Favored Pre-proline 0 C--N 1.383 2.035 0 O-C-N 119.282 -2.137 . . . . 0.0 115.569 166.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -49.16 -43.76 35.69 Favored 'Trans proline' 1 CA--C 1.62 4.814 0 C-N-CA 124.508 3.472 . . . . 0.0 117.437 162.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.361 30.3 mm -50.16 -64.04 0.35 Allowed 'Isoleucine or valine' 1 N--CA 1.543 4.187 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 162.695 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.285 3.1 t80 -41.81 -49.65 4.39 Favored 'General case' 0 CA--C 1.57 1.718 0 CA-C-O 112.455 -3.64 . . . . 0.0 116.784 169.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.72 -52.17 63.3 Favored 'General case' 0 CA--C 1.565 1.522 1 N-CA-C 123.957 4.799 . . . . 0.0 123.957 160.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.384 15.1 tt0 -50.89 -56.34 12.73 Favored 'General case' 1 N--CA 1.545 4.279 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 171.269 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.257 1.9 tm? -54.86 -42.26 71.79 Favored 'General case' 0 CA--C 1.585 2.321 0 N-CA-C 118.233 2.679 . . . . 0.0 118.233 169.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.7 -53.19 19.82 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 118.472 -2.643 . . . . 0.0 112.686 161.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -55.13 -38.26 67.97 Favored 'General case' 0 N--CA 1.529 3.517 0 N-CA-C 120.812 3.634 . . . . 0.0 120.812 169.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.299 36.7 ttmt -61.83 -35.12 77.31 Favored 'General case' 0 CA--C 1.616 3.51 0 N-CA-C 116.693 2.109 . . . . 0.0 116.693 173.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -128.46 100.77 22.05 Favored Pre-proline 0 CA--C 1.6 2.89 0 C-N-CA 127.248 2.219 . . . . 0.0 106.928 -158.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.255 25.0 Cg_endo -65.95 -26.4 51.41 Favored 'Trans proline' 1 CA--C 1.67 7.313 2 C-N-CA 129.729 6.952 . . . . 0.0 126.358 171.126 . . . . . . . . 4 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -74.38 2.56 9.12 Favored 'General case' 0 CA--C 1.609 3.237 0 C-N-CA 128.09 2.556 . . . . 0.0 116.966 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.446 HG23 ' CZ ' ' A' ' 60' ' ' PHE . 1.5 p -147.18 115.34 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.612 3.335 0 CA-C-O 124.325 2.012 . . . . 0.0 109.108 -157.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.2 m -73.28 156.05 38.86 Favored 'General case' 0 CA--C 1.581 2.155 0 CA-C-O 124.594 2.14 . . . . 0.0 112.987 164.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.446 ' CZ ' HG23 ' A' ' 58' ' ' VAL . 74.2 m-85 -145.79 130.13 17.69 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-O 124.165 1.936 . . . . 0.0 110.909 -168.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.426 0.4 OUTLIER -148.03 144.97 28.28 Favored 'General case' 1 N--CA 1.555 4.802 0 CA-C-O 126.556 3.074 . . . . 0.0 109.932 -170.187 . . . . . . . . 4 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.272 10.9 ptmm? -145.27 119.87 9.77 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 126.546 3.07 . . . . 0.0 110.284 -162.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.7 t -122.15 121.12 63.17 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.429 0 C-N-CA 129.821 3.248 . . . . 0.0 113.189 -160.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -59.48 101.69 0.11 Allowed 'General case' 0 C--N 1.363 1.193 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.009 156.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.271 1.4 p -59.79 -36.23 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.091 0 C-N-CA 131.167 3.787 . . . . 0.0 117.518 170.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.341 2.4 m-20 -46.72 -47.11 20.6 Favored 'General case' 0 CA--C 1.586 2.352 1 O-C-N 115.935 -4.228 . . . . 0.0 119.28 163.61 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.37 -22.84 65.55 Favored 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 118.949 2.944 . . . . 0.0 118.949 169.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.9 mt -149.3 56.58 1.0 Allowed 'General case' 0 N--CA 1.488 1.438 0 O-C-N 118.452 -2.655 . . . . 0.0 113.268 -168.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.328 2.4 ptpt -81.05 -50.74 9.29 Favored 'General case' 0 CA--C 1.615 3.471 0 C-N-CA 127.991 2.516 . . . . 0.0 111.605 176.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.271 . . -48.83 -51.33 30.1 Favored 'General case' 0 N--CA 1.513 2.721 0 N-CA-C 118.496 2.776 . . . . 0.0 118.496 175.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.2 p -66.82 -43.69 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.5 0 CA-C-O 115.134 -2.365 . . . . 0.0 115.182 167.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.38 -56.48 4.19 Favored 'General case' 0 C--O 1.271 2.21 0 CA-C-N 125.441 3.746 . . . . 0.0 116.081 169.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -50.38 -57.31 8.25 Favored 'General case' 0 CA--C 1.575 1.927 0 CA-C-N 110.334 -3.121 . . . . 0.0 110.017 173.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.387 0.1 OUTLIER -44.25 -50.13 9.0 Favored 'General case' 0 C--O 1.275 2.426 0 O-C-N 128.526 3.641 . . . . 0.0 119.178 176.521 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -67.31 -31.83 72.4 Favored 'General case' 0 N--CA 1.499 1.989 1 N-CA-C 123.502 4.63 . . . . 0.0 123.502 166.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.598 10.4 t-20 146.84 78.58 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.911 0 CA-C-O 122.935 1.35 . . . . 0.0 112.886 149.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.2 t -149.19 112.93 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.518 2.939 0 O-C-N 118.538 -2.602 . . . . 0.0 109.133 -163.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -104.04 -24.01 13.26 Favored 'General case' 0 CA--C 1.614 3.43 0 CA-C-N 110.958 -2.837 . . . . 0.0 108.968 169.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -151.89 148.35 27.68 Favored 'General case' 0 C--N 1.407 3.107 0 CA-C-N 123.525 2.875 . . . . 0.0 103.48 -154.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.711 ' SD ' ' HA ' ' A' ' 34' ' ' THR . 33.8 mmt -73.66 131.48 82.08 Favored Pre-proline 0 CA--C 1.595 2.689 0 CA-C-O 114.692 -2.575 . . . . 0.0 109.621 166.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -142.97 144.64 0.0 OUTLIER 'Cis proline' 0 C--O 1.194 -1.701 1 N-CA-C 124.986 4.956 . . . . 0.0 124.986 -18.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -122.52 129.82 52.38 Favored 'General case' 1 N--CA 1.54 4.072 1 CA-C-N 107.107 -4.588 . . . . 0.0 110.034 -136.911 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -119.71 122.38 41.32 Favored 'General case' 1 N--CA 1.567 5.418 1 N-CA-C 93.598 -6.445 . . . . 0.0 93.598 -167.911 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.54 137.21 55.95 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.955 1 CA-C-N 107.537 -4.392 . . . . 0.0 102.226 -178.544 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -126.04 101.07 6.62 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 101.976 -3.342 . . . . 0.0 101.976 -158.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.19 122.19 29.24 Favored 'General case' 0 CA--C 1.607 3.15 0 N-CA-C 100.911 -3.736 . . . . 0.0 100.911 -172.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.32 31.9 tttp -110.54 -176.21 2.92 Favored 'General case' 0 CA--C 1.623 3.753 0 CA-C-O 124.854 2.264 . . . . 0.0 105.402 178.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -64.64 58.21 0.02 OUTLIER 'General case' 0 CA--C 1.578 2.028 0 CA-C-N 110.71 -2.95 . . . . 0.0 115.501 152.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.02 38.5 0.13 Allowed Glycine 0 C--N 1.381 3.052 0 O-C-N 117.216 -3.427 . . . . 0.0 108.288 175.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.444 3.6 ttmt 48.69 -162.55 0.03 OUTLIER 'General case' 0 N--CA 1.525 3.3 1 N-CA-C 122.129 4.122 . . . . 0.0 122.129 -159.566 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.6 tp -60.25 99.08 0.07 Allowed 'General case' 0 N--CA 1.505 2.322 0 C-N-CA 131.144 3.778 . . . . 0.0 108.525 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.36 16.0 m -76.9 -50.97 19.88 Favored 'Isoleucine or valine' 1 N--CA 1.544 4.245 1 CA-C-O 109.652 -4.975 . . . . 0.0 110.807 168.586 . . . . . . . . 4 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.08 167.48 4.92 Favored 'General case' 0 CA--C 1.628 3.98 1 CA-C-N 127.982 4.901 . . . . 0.0 112.692 -175.123 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.89 151.94 36.74 Favored 'General case' 0 N--CA 1.513 2.707 1 CA-C-O 129.461 4.458 . . . . 0.0 111.431 -172.41 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.1 m -158.17 98.3 1.57 Allowed 'General case' 0 C--O 1.257 1.497 0 O-C-N 118.404 -2.685 . . . . 0.0 107.163 -175.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.73 99.86 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.628 3.966 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 163.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 164.34 99.24 0.14 Allowed Glycine 0 CA--C 1.561 2.907 0 CA-C-O 114.153 -3.582 . . . . 0.0 112.981 164.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -50.75 115.63 1.59 Allowed 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 127.895 2.478 . . . . 0.0 117.443 165.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -160.5 114.98 2.19 Favored 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 104.987 -2.227 . . . . 0.0 104.987 -171.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -48.57 -45.1 37.29 Favored 'General case' 0 C--N 1.291 -1.978 1 N-CA-C 122.104 4.113 . . . . 0.0 122.104 -174.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.338 3.1 p-10 -79.18 -49.27 12.82 Favored 'General case' 0 CA--C 1.612 3.363 0 C-N-CA 126.777 2.031 . . . . 0.0 110.414 167.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -45.95 -57.01 6.4 Favored Glycine 0 N--CA 1.508 3.456 1 N-CA-C 124.634 4.614 . . . . 0.0 124.634 175.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.256 52.7 tp -50.74 -55.85 23.74 Favored Pre-proline 0 CA--C 1.57 1.713 0 N-CA-C 119.625 3.194 . . . . 0.0 119.625 168.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.3 -28.33 52.3 Favored 'Trans proline' 0 CA--C 1.569 2.269 1 C-N-CA 125.563 4.175 . . . . 0.0 122.216 162.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 61.9 m -53.57 -57.69 9.82 Favored 'General case' 0 N--CA 1.519 3.011 0 C-N-CA 125.875 1.67 . . . . 0.0 114.717 161.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.405 54.4 tp -57.11 -46.76 82.34 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 120.922 3.675 . . . . 0.0 120.922 173.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 39.2 t -59.68 -42.64 89.2 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.484 0 N-CA-C 116.786 2.143 . . . . 0.0 116.786 163.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.87 -53.31 59.4 Favored 'General case' 0 N--CA 1.523 3.187 0 C-N-CA 128.412 2.685 . . . . 0.0 113.221 173.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -53.94 -49.61 68.31 Favored 'General case' 0 N--CA 1.482 1.137 1 N-CA-C 122.009 4.077 . . . . 0.0 122.009 164.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -55.84 -52.98 62.14 Favored 'General case' 0 C--N 1.403 2.894 0 N-CA-C 118.295 2.702 . . . . 0.0 118.295 161.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.51 2.537 0 O-C-N 126.386 2.304 . . . . 0.0 116.125 172.54 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.369 6.9 pt-20 . . . . . 0 CA--C 1.559 1.297 0 CA-C-O 124.998 2.333 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.1 170.62 19.7 Favored Glycine 0 N--CA 1.506 3.316 0 CA-C-N 113.34 -1.754 . . . . 0.0 114.205 165.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -152.43 113.14 4.14 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 103.827 -2.657 . . . . 0.0 103.827 -172.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.1 t -77.06 131.62 34.44 Favored 'Isoleucine or valine' 0 CA--C 1.627 3.904 0 C-N-CA 127.431 2.292 . . . . 0.0 105.901 166.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.363 0.3 OUTLIER -130.51 131.7 64.95 Favored 'Isoleucine or valine' 0 C--N 1.368 1.405 0 C-N-CA 128.075 2.55 . . . . 0.0 108.835 -178.167 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.58 142.51 57.46 Favored 'General case' 0 CA--C 1.574 1.903 0 CA-C-O 124.906 2.289 . . . . 0.0 115.285 163.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.3 m -148.23 134.41 19.37 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 117.792 -3.068 . . . . 0.0 111.399 -170.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . 0.391 30.9 m80 -134.11 -38.21 0.87 Allowed 'General case' 0 CA--C 1.605 3.076 0 CA-C-N 110.797 -2.91 . . . . 0.0 117.517 -155.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.7 p -144.98 -170.51 3.43 Favored 'General case' 0 C--O 1.193 -1.912 0 CA-C-O 125.741 2.686 . . . . 0.0 111.412 -158.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 p -53.95 -19.76 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.34 0 N-CA-C 119.726 3.232 . . . . 0.0 119.726 157.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.91 -43.87 63.58 Favored 'General case' 0 C--N 1.403 2.911 0 O-C-N 117.8 -3.062 . . . . 0.0 115.096 162.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.404 0.6 OUTLIER -56.96 -38.23 72.67 Favored 'General case' 0 N--CA 1.523 3.216 0 C-N-CA 125.183 1.393 . . . . 0.0 114.541 170.166 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -51.79 -46.9 64.38 Favored 'General case' 0 N--CA 1.523 3.176 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 164.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -51.71 -62.19 1.78 Allowed 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 159.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -52.79 -63.03 1.28 Allowed 'General case' 0 N--CA 1.52 3.041 0 N-CA-C 118.374 2.731 . . . . 0.0 118.374 174.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -53.41 -62.59 1.55 Allowed 'General case' 1 N--CA 1.549 4.493 0 C-N-CA 128.408 2.683 . . . . 0.0 113.444 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.6 1.1 t80 -59.05 -60.33 4.04 Favored 'General case' 0 C--N 1.287 -2.125 0 C-N-CA 128.237 2.615 . . . . 0.0 113.826 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.362 13.3 mm-40 -51.04 -59.99 3.57 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 176.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -52.76 -63.04 1.28 Allowed 'General case' 0 N--CA 1.506 2.335 0 O-C-N 118.024 -2.923 . . . . 0.0 112.479 166.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -35.8 -84.77 0.01 OUTLIER Glycine 0 CA--C 1.565 3.166 0 N-CA-C 120.14 2.816 . . . . 0.0 120.14 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -79.33 107.91 12.44 Favored 'General case' 0 CA--C 1.576 1.953 0 CA-C-O 127.084 3.326 . . . . 0.0 108.71 151.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.46 -38.78 0.36 Allowed Glycine 1 CA--C 1.618 6.521 0 CA-C-N 110.531 -3.031 . . . . 0.0 115.355 168.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.7 m -126.3 128.77 47.65 Favored 'General case' 0 C--O 1.267 1.983 0 O-C-N 127.922 2.778 . . . . 0.0 105.939 -166.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -62.77 77.51 0.02 OUTLIER 'General case' 0 CA--C 1.58 2.114 0 CA-C-O 128.081 3.801 . . . . 0.0 118.035 165.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -162.08 176.99 10.13 Favored 'General case' 0 CA--C 1.588 2.409 1 CA-C-N 108.138 -4.119 . . . . 0.0 112.081 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.9 tp -110.65 151.12 28.06 Favored 'General case' 0 C--O 1.264 1.863 0 C-N-CA 130.198 3.399 . . . . 0.0 107.234 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.299 1.7 pt -151.15 134.02 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 129.292 3.037 . . . . 0.0 107.212 -175.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.7 t -132.26 136.76 55.87 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.28 0 O-C-N 127.881 3.238 . . . . 0.0 103.488 -161.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.44 3.3 p -152.47 106.74 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 117.106 -3.496 . . . . 0.0 112.38 -161.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -65.14 126.78 29.18 Favored 'General case' 0 N--CA 1.406 -2.667 0 CA-C-O 125.205 2.431 . . . . 0.0 113.304 161.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -110.99 111.43 22.54 Favored 'General case' 0 CA--C 1.577 2.009 0 N-CA-C 100.831 -3.766 . . . . 0.0 100.831 169.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.8 t -157.84 145.19 18.3 Favored 'General case' 0 CA--C 1.608 3.181 0 CA-C-O 125.019 2.343 . . . . 0.0 107.334 -172.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.35 130.4 35.15 Favored 'General case' 0 C--N 1.262 -3.236 0 CA-C-N 108.885 -3.78 . . . . 0.0 106.28 174.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.6 t -46.93 -42.24 17.37 Favored 'General case' 0 CA--C 1.587 2.381 0 C-N-CA 125.64 1.576 . . . . 0.0 114.584 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -70.96 88.73 0.76 Allowed 'General case' 0 C--O 1.276 2.464 0 C-N-CA 128.68 2.792 . . . . 0.0 109.173 160.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.8 t -171.44 91.89 0.44 Allowed Pre-proline 0 CA--C 1.595 2.684 0 CA-C-N 110.121 -3.218 . . . . 0.0 109.464 174.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -52.54 -40.24 72.85 Favored 'Trans proline' 1 CA--C 1.604 4.012 0 N-CA-C 118.761 2.562 . . . . 0.0 118.761 158.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.308 34.4 Cg_exo -42.38 -61.45 0.53 Allowed 'Trans proline' 0 C--N 1.399 3.23 0 C-N-CA 124.833 3.689 . . . . 0.0 120.349 160.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.415 76.3 m -58.66 -38.83 78.99 Favored 'General case' 0 C--N 1.362 1.143 1 N-CA-C 122.253 4.168 . . . . 0.0 122.253 161.611 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -43.78 -43.16 5.97 Favored 'General case' 0 CA--C 1.604 3.032 0 N-CA-C 118.675 2.843 . . . . 0.0 118.675 166.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.331 21.5 ptt? -70.15 -41.55 73.7 Favored 'General case' 0 CA--C 1.578 2.027 0 C-N-CA 125.248 1.419 . . . . 0.0 113.435 166.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.397 1.1 tp -52.97 -39.9 34.46 Favored 'Isoleucine or valine' 0 C--O 1.266 1.972 0 O-C-N 117.947 -2.97 . . . . 0.0 117.165 168.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.473 . . -44.53 -59.1 4.29 Favored Pre-proline 1 CA--C 1.649 4.757 0 O-C-N 118.367 -2.708 . . . . 0.0 113.109 166.043 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -54.15 -38.52 87.73 Favored 'Trans proline' 0 CA--C 1.576 2.59 0 N-CA-C 120.536 3.245 . . . . 0.0 120.536 159.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.622 29.8 mm -55.55 -53.72 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 118.532 -2.605 . . . . 0.0 116.945 165.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.291 8.3 t80 -54.01 -51.03 65.25 Favored 'General case' 0 N--CA 1.51 2.53 0 C-N-CA 126.848 2.059 . . . . 0.0 112.369 171.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.267 . . -51.09 -52.32 44.74 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 121.249 3.796 . . . . 0.0 121.249 168.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -52.93 -54.67 31.47 Favored 'General case' 0 CA--C 1.591 2.533 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 169.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.4 -44.99 69.14 Favored 'General case' 0 CA--C 1.597 2.785 0 C-N-CA 126.506 1.922 . . . . 0.0 115.999 170.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.52 -37.41 49.14 Favored 'General case' 0 CA--C 1.562 1.43 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 165.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . 0.277 94.0 mttt -61.57 -46.91 87.88 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 117.597 2.443 . . . . 0.0 117.597 164.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -53.53 -37.28 62.67 Favored 'General case' 0 CA--C 1.599 2.851 0 N-CA-C 119.656 3.206 . . . . 0.0 119.656 171.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -129.89 104.17 17.08 Favored Pre-proline 0 CA--C 1.577 1.992 0 C-N-CA 129.252 3.021 . . . . 0.0 108.533 -153.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.453 12.3 Cg_endo -71.51 -39.84 3.38 Favored 'Trans proline' 0 CA--C 1.581 2.845 2 C-N-CA 130.646 7.564 . . . . 0.0 126.587 171.792 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.282 10.3 p30 -63.89 10.5 0.05 Allowed 'General case' 0 N--CA 1.527 3.406 0 N-CA-C 118.61 2.818 . . . . 0.0 118.61 174.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.354 4.3 p -148.27 113.06 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.589 2.447 0 C-N-CA 123.564 0.746 . . . . 0.0 110.19 -158.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.1 m -73.63 153.6 40.09 Favored 'General case' 0 C--N 1.379 1.884 0 CA-C-O 128.474 3.988 . . . . 0.0 106.879 161.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -139.84 136.55 34.12 Favored 'General case' 0 N--CA 1.515 2.818 1 CA-C-O 129.164 4.316 . . . . 0.0 104.731 -175.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.395 0.5 OUTLIER -152.5 157.64 41.42 Favored 'General case' 0 CA--C 1.598 2.805 0 CA-C-N 110.52 -3.036 . . . . 0.0 108.153 -172.369 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -156.48 112.76 3.04 Favored 'General case' 0 N--CA 1.502 2.156 0 CA-C-O 124.363 2.03 . . . . 0.0 105.945 -166.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.8 t -88.07 119.59 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 C-N-CA 130.11 3.364 . . . . 0.0 110.704 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -65.14 107.47 1.56 Allowed 'General case' 0 C--O 1.299 3.668 0 O-C-N 125.513 1.758 . . . . 0.0 113.509 156.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.281 0.4 OUTLIER -56.69 -37.88 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 119.185 3.032 . . . . 0.0 119.185 178.69 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.81 -40.56 55.85 Favored 'General case' 0 N--CA 1.529 3.507 0 N-CA-C 119.588 3.181 . . . . 0.0 119.588 168.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.3 24.9 mt-10 -67.15 -32.91 74.35 Favored 'General case' 0 CA--C 1.598 2.816 1 N-CA-C 121.87 4.026 . . . . 0.0 121.87 162.26 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.9 mt -152.28 66.33 0.83 Allowed 'General case' 0 C--N 1.387 2.201 0 CA-C-O 125.339 2.495 . . . . 0.0 109.19 -164.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -93.47 -37.64 11.84 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 110.77 -2.923 . . . . 0.0 108.75 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.55 -68.1 0.23 Allowed 'General case' 0 C--O 1.274 2.375 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 170.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.305 4.2 p -46.3 -58.9 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.603 2.993 0 N-CA-C 120.994 3.702 . . . . 0.0 120.994 160.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.24 -51.76 2.69 Favored 'General case' 0 C--N 1.388 2.268 0 N-CA-C 118.531 2.789 . . . . 0.0 118.531 174.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.487 ' HB2' ' HE2' ' A' ' 73' ' ' GLU . 41.0 mt-10 -54.67 -50.31 68.54 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 113.818 -2.991 . . . . 0.0 114.927 168.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.513 1.1 pt-20 -44.2 -52.14 7.63 Favored 'General case' 0 C--N 1.41 3.224 0 N-CA-C 118.966 2.95 . . . . 0.0 118.966 172.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -59.3 -53.79 54.21 Favored 'General case' 0 CA--C 1.613 3.38 0 O-C-N 125.302 1.626 . . . . 0.0 113.541 174.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 155.87 88.53 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 127.133 2.771 . . . . 0.0 107.565 158.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.508 HG13 ' HG1' ' A' ' 82' ' ' THR . 8.7 t -151.98 74.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.372 1.563 0 CA-C-O 128.271 3.891 . . . . 0.0 101.062 -174.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -68.6 -6.21 24.37 Favored 'General case' 0 C--N 1.404 2.94 2 N-CA-C 125.311 5.3 . . . . 0.0 125.311 140.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.92 141.65 27.98 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-O 125.015 2.34 . . . . 0.0 107.495 -158.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.402 ' CE ' ' HA ' ' A' ' 80' ' ' MET . 28.6 mmt -96.27 112.71 60.65 Favored Pre-proline 1 CA--C 1.636 4.286 0 C-N-CA 131.423 3.889 . . . . 0.0 104.485 175.075 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.328 62.5 Cg_endo -153.7 149.12 0.0 OUTLIER 'Cis proline' 0 C--O 1.274 2.277 0 N-CA-C 121.411 3.581 . . . . 0.0 121.411 3.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.508 ' HG1' HG13 ' A' ' 77' ' ' VAL . 11.8 m -123.09 138.66 54.61 Favored 'General case' 0 C--O 1.183 -2.432 0 C-N-CA 130.809 3.644 . . . . 0.0 114.249 -142.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -127.53 121.42 30.62 Favored 'General case' 0 CA--C 1.623 3.787 1 N-CA-C 100.02 -4.067 . . . . 0.0 100.02 -163.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.449 2.2 mt -128.35 135.74 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.85 3 O-C-N 129.584 4.303 . . . . 0.0 108.989 -166.116 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -135.89 107.54 6.99 Favored 'General case' 0 CA--C 1.623 3.753 1 N-CA-C 100.019 -4.067 . . . . 0.0 100.019 -153.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.58 127.16 30.71 Favored 'General case' 0 N--CA 1.499 1.983 1 N-CA-C 98.577 -4.601 . . . . 0.0 98.577 -170.608 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -130.37 -175.43 3.64 Favored 'General case' 0 CA--C 1.589 2.455 0 CA-C-N 109.576 -3.465 . . . . 0.0 104.677 -169.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -65.78 46.96 0.03 OUTLIER 'General case' 1 CA--C 1.675 5.751 0 N-CA-C 116.531 2.049 . . . . 0.0 116.531 163.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 176.89 51.4 0.06 OUTLIER Glycine 0 C--N 1.293 -1.825 0 CA-C-N 112.942 -1.936 . . . . 0.0 113.179 172.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.452 7.0 ttmt 55.25 -162.09 0.15 Allowed 'General case' 0 N--CA 1.526 3.362 0 N-CA-C 117.923 2.564 . . . . 0.0 117.923 -173.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.3 tp -56.1 97.94 0.02 OUTLIER 'General case' 0 C--N 1.273 -2.733 0 CA-C-O 124.705 2.193 . . . . 0.0 109.954 175.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.422 4.6 m -69.27 -43.37 81.33 Favored 'Isoleucine or valine' 0 C--O 1.254 1.32 1 N-CA-C 123.219 4.525 . . . . 0.0 123.219 163.046 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.55 161.77 29.98 Favored 'General case' 1 N--CA 1.572 5.635 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 -172.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.33 139.21 11.77 Favored 'General case' 0 C--N 1.384 2.101 0 CA-C-O 123.217 1.484 . . . . 0.0 107.62 -171.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.2 m -154.9 157.26 37.52 Favored 'General case' 0 N--CA 1.502 2.159 0 N-CA-C 102.205 -3.257 . . . . 0.0 102.205 -172.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 82' ' ' THR . 1.9 p -151.69 102.26 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.611 3.308 0 N-CA-C 102.389 -3.189 . . . . 0.0 102.389 -169.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 160.79 112.88 0.3 Allowed Glycine 0 N--CA 1.508 3.439 0 CA-C-O 114.694 -3.281 . . . . 0.0 107.681 162.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.94 124.78 15.09 Favored 'General case' 0 C--N 1.382 2.019 0 O-C-N 126.844 2.144 . . . . 0.0 115.897 166.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -160.75 125.52 3.68 Favored 'General case' 0 C--N 1.376 1.731 0 C-N-CA 125.975 1.71 . . . . 0.0 111.349 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.416 19.9 pttt -39.68 -66.1 0.33 Allowed 'General case' 0 N--CA 1.531 3.608 1 N-CA-C 122.23 4.159 . . . . 0.0 122.23 165.225 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.4 -47.83 84.39 Favored 'General case' 0 C--N 1.376 1.754 0 C-N-CA 125.697 1.599 . . . . 0.0 114.365 171.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -39.35 -76.55 0.08 OUTLIER Glycine 0 CA--C 1.576 3.85 0 C-N-CA 129.037 3.208 . . . . 0.0 117.914 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.253 28.4 tp -52.01 -50.65 77.28 Favored Pre-proline 0 N--CA 1.508 2.471 1 N-CA-C 123.319 4.563 . . . . 0.0 123.319 174.031 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -45.27 -40.74 16.93 Favored 'Trans proline' 0 N--CA 1.528 3.535 0 N-CA-C 118.06 2.292 . . . . 0.0 118.06 157.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.0 m -67.03 -54.27 23.27 Favored 'General case' 1 N--CA 1.551 4.624 0 C-N-CA 127.079 2.152 . . . . 0.0 113.815 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.268 55.5 tp -53.74 -51.36 63.59 Favored 'General case' 0 C--O 1.196 -1.759 0 C-N-CA 127.697 2.399 . . . . 0.0 116.387 171.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 79.6 t -58.84 -51.73 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.532 3.669 0 C-N-CA 125.532 1.533 . . . . 0.0 110.699 168.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.3 -48.97 6.87 Favored 'General case' 0 C--O 1.264 1.828 0 CA-C-N 122.314 2.325 . . . . 0.0 117.224 170.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -59.13 -42.58 90.94 Favored 'General case' 0 C--O 1.196 -1.744 1 N-CA-C 122.721 4.341 . . . . 0.0 122.721 165.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.328 4.7 m-70 -63.01 -61.35 2.45 Favored 'General case' 0 N--CA 1.532 3.626 0 N-CA-C 119.266 3.061 . . . . 0.0 119.266 172.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.525 3.296 1 N-CA-C 124.011 4.819 . . . . 0.0 124.011 171.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 CA--C 1.573 1.842 0 CA-C-O 124.903 2.287 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.94 177.54 52.06 Favored Glycine 0 C--N 1.368 2.354 0 CA-C-N 110.468 -3.06 . . . . 0.0 114.478 165.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -152.22 117.6 5.29 Favored 'General case' 0 N--CA 1.521 3.109 0 N-CA-C 102.504 -3.147 . . . . 0.0 102.504 -160.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.6 t -98.55 119.33 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 CA-C-N 111.275 -2.693 . . . . 0.0 110.151 174.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.259 0.3 OUTLIER -130.79 129.66 63.99 Favored 'Isoleucine or valine' 0 CA--C 1.628 3.959 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 -171.377 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.23 138.39 57.64 Favored 'General case' 0 CA--C 1.553 1.074 0 O-C-N 127.766 3.166 . . . . 0.0 114.285 164.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 68.4 m -138.7 143.5 39.16 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 111.459 -2.609 . . . . 0.0 107.617 -172.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -134.61 -38.01 0.83 Allowed 'General case' 0 CA--C 1.586 2.356 0 CA-C-N 109.242 -3.617 . . . . 0.0 113.878 -156.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.7 p -152.32 -166.73 2.56 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 117.86 -3.025 . . . . 0.0 108.815 -162.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.6 p -51.68 -16.66 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.528 3.473 0 N-CA-C 117.49 2.404 . . . . 0.0 117.49 160.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.37 -47.1 37.58 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 118.472 2.768 . . . . 0.0 118.472 156.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.385 0.9 OUTLIER -56.21 -42.93 78.01 Favored 'General case' 1 N--CA 1.54 4.049 0 N-CA-C 117.804 2.52 . . . . 0.0 117.804 166.596 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -53.73 -38.98 64.9 Favored 'General case' 0 CA--C 1.626 3.903 0 O-C-N 125.31 1.632 . . . . 0.0 113.531 171.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -66.2 -51.86 53.62 Favored 'General case' 0 CA--C 1.608 3.207 0 CA-C-N 121.155 1.798 . . . . 0.0 112.618 161.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.65 -64.23 0.88 Allowed 'General case' 0 CA--C 1.58 2.098 0 N-CA-C 119.57 3.174 . . . . 0.0 119.57 173.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -53.06 -57.41 10.48 Favored 'General case' 0 C--O 1.263 1.797 0 C-N-CA 126.259 1.824 . . . . 0.0 115.529 177.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -58.77 -54.09 51.05 Favored 'General case' 0 N--CA 1.539 3.995 0 CA-C-O 116.602 -1.666 . . . . 0.0 114.124 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -55.91 -49.49 73.31 Favored 'General case' 0 N--CA 1.534 3.758 0 C-N-CA 127.916 2.486 . . . . 0.0 112.799 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -56.77 -61.82 2.17 Favored 'General case' 0 N--CA 1.525 3.279 0 C-N-CA 125.349 1.46 . . . . 0.0 113.318 167.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.37 -89.3 0.01 OUTLIER Glycine 0 N--CA 1.492 2.398 0 CA-C-O 127.037 3.576 . . . . 0.0 118.249 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -73.36 98.04 2.63 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 125.813 2.721 . . . . 0.0 107.011 156.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.52 -48.4 0.38 Allowed Glycine 0 CA--C 1.572 3.624 0 CA-C-N 110.245 -3.161 . . . . 0.0 113.379 162.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.6 m -103.75 122.4 44.99 Favored 'General case' 0 C--N 1.392 2.415 0 CA-C-N 109.717 -3.242 . . . . 0.0 109.831 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -69.24 71.58 0.27 Allowed 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 128.736 2.814 . . . . 0.0 112.495 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -158.75 175.93 12.99 Favored 'General case' 0 CA--C 1.575 1.926 0 O-C-N 126.904 2.627 . . . . 0.0 108.525 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.2 tp -92.85 151.9 19.72 Favored 'General case' 0 CA--C 1.562 1.422 0 CA-C-N 111.531 -2.577 . . . . 0.0 109.072 169.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.267 4.1 pt -146.8 136.6 17.05 Favored 'Isoleucine or valine' 0 CA--C 1.627 3.915 3 CA-C-O 130.384 4.897 . . . . 0.0 99.877 -176.055 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.395 4.5 t -145.46 121.71 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.78 1 O-C-N 116.002 -4.186 . . . . 0.0 110.512 -168.393 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 p -139.53 107.83 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.463 0 CA-C-O 125.002 2.334 . . . . 0.0 110.395 -153.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -64.81 149.32 49.6 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-O 126.633 3.111 . . . . 0.0 118.325 161.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -138.44 108.15 6.26 Favored 'General case' 0 CA--C 1.601 2.939 1 N-CA-C 93.316 -6.55 . . . . 0.0 93.316 -174.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.9 t -154.47 145.15 22.38 Favored 'General case' 0 CA--C 1.603 2.992 0 O-C-N 127.076 2.735 . . . . 0.0 105.91 -171.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.27 . . -77.59 147.2 35.77 Favored 'General case' 2 C--N 1.237 -4.293 0 CA-C-N 112.691 -2.05 . . . . 0.0 113.959 161.058 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.7 t -53.56 -47.48 70.0 Favored 'General case' 0 N--CA 1.533 3.692 0 O-C-N 118.789 -2.444 . . . . 0.0 115.45 164.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -65.05 74.23 0.04 OUTLIER 'General case' 0 CA--C 1.606 3.102 0 CA-C-O 124.839 2.257 . . . . 0.0 114.229 166.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.6 t -164.34 83.37 1.26 Allowed Pre-proline 0 N--CA 1.524 3.26 0 CA-C-N 112.949 -1.932 . . . . 0.0 108.022 -176.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.407 44.5 Cg_exo -46.82 -42.05 24.84 Favored 'Trans proline' 1 CA--C 1.621 4.871 1 C-N-CA 127.795 5.663 . . . . 0.0 118.689 167.193 . . . . . . . . 4 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -56.03 -45.34 39.15 Favored 'Trans proline' 0 CA--C 1.604 3.977 0 C-N-CA 124.758 3.639 . . . . 0.0 119.332 164.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.559 7.9 m -67.41 -25.99 66.21 Favored 'General case' 0 N--CA 1.536 3.83 0 N-CA-C 121.329 3.826 . . . . 0.0 121.329 156.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.542 15.3 tttp -48.84 -58.55 4.65 Favored 'General case' 0 C--N 1.393 2.46 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 158.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.416 14.3 ptt? -59.59 -38.74 82.03 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 119.377 3.102 . . . . 0.0 119.377 164.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.432 1.0 OUTLIER -60.02 -21.75 22.72 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.142 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 170.219 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.402 . . -62.13 -59.62 12.54 Favored Pre-proline 0 C--N 1.396 2.61 0 CA-C-N 123.187 2.721 . . . . 0.0 112.355 170.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -52.66 -41.28 70.03 Favored 'Trans proline' 1 CA--C 1.613 4.442 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 162.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.251 29.0 mm -52.34 -57.58 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 CA-C-N 122.734 2.515 . . . . 0.0 116.324 167.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -54.64 -42.76 71.66 Favored 'General case' 0 CA--C 1.574 1.897 0 O-C-N 126.995 2.685 . . . . 0.0 115.816 173.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.97 95.41 Favored 'General case' 0 CA--C 1.593 2.606 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 162.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -49.88 -58.22 5.84 Favored 'General case' 0 CA--C 1.581 2.159 0 N-CA-C 116.974 2.213 . . . . 0.0 116.974 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -56.33 -38.62 71.59 Favored 'General case' 0 CA--C 1.579 2.064 1 CA-C-O 109.553 -5.022 . . . . 0.0 115.427 170.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.16 -43.69 61.31 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 119.725 3.232 . . . . 0.0 119.725 162.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -60.89 -44.54 96.96 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 113.039 -1.891 . . . . 0.0 114.084 169.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -54.54 -38.51 66.67 Favored 'General case' 0 CA--C 1.603 2.984 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 169.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -137.13 91.67 14.55 Favored Pre-proline 0 CA--C 1.61 3.267 0 C-N-CA 125.705 1.602 . . . . 0.0 108.32 -151.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -61.04 -29.6 88.01 Favored 'Trans proline' 1 CA--C 1.611 4.326 2 C-N-CA 128.095 5.864 . . . . 0.0 122.772 170.772 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.463 HD22 ' HB1' ' A' ' 111' ' ' ALA . 12.6 p30 -62.18 3.95 0.15 Allowed 'General case' 0 C--O 1.27 2.16 0 C-N-CA 129.316 3.046 . . . . 0.0 116.888 -177.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.263 3.4 p -147.53 107.53 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.873 0 CA-C-O 123.394 1.568 . . . . 0.0 113.313 -150.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . 0.303 57.1 m -66.6 156.14 35.9 Favored 'General case' 0 CA--C 1.596 2.716 0 CA-C-O 128.176 3.846 . . . . 0.0 113.216 160.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -148.41 136.42 20.98 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 125.588 2.613 . . . . 0.0 110.546 -171.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 pp -154.06 159.03 41.37 Favored 'General case' 0 N--CA 1.501 2.091 0 CA-C-O 126.751 3.167 . . . . 0.0 107.28 -174.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -148.69 110.2 4.45 Favored 'General case' 0 C--O 1.272 2.262 0 CA-C-O 128.177 3.846 . . . . 0.0 111.236 -166.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.6 t -91.46 119.37 38.61 Favored 'Isoleucine or valine' 0 C--O 1.275 2.397 0 O-C-N 116.746 -3.722 . . . . 0.0 112.064 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . 0.264 30.6 t70 -67.33 102.39 1.08 Allowed 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 126.281 1.832 . . . . 0.0 108.112 166.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.447 HG13 ' SD ' ' A' ' 80' ' ' MET 0.391 0.3 OUTLIER -51.94 -40.95 29.83 Favored 'Isoleucine or valine' 0 C--O 1.272 2.257 0 C-N-CA 130.958 3.703 . . . . 0.0 115.609 177.264 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -50.39 -58.06 6.55 Favored 'General case' 0 N--CA 1.507 2.419 0 C-N-CA 127.169 2.187 . . . . 0.0 112.885 174.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -55.19 -31.75 61.65 Favored 'General case' 0 N--CA 1.518 2.953 1 N-CA-C 124.563 5.023 . . . . 0.0 124.563 158.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.2 mt -145.45 48.0 1.27 Allowed 'General case' 0 CA--C 1.575 1.916 0 CA-C-O 125.696 2.665 . . . . 0.0 114.947 -161.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.335 16.9 ptpt -73.61 -51.63 16.18 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 118.382 2.734 . . . . 0.0 118.382 171.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.46 -53.22 24.15 Favored 'General case' 0 CA--C 1.581 2.143 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 175.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 p -62.3 -46.22 96.94 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.232 1 CA-C-O 110.763 -4.446 . . . . 0.0 121.303 166.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.18 -52.48 4.36 Favored 'General case' 0 N--CA 1.488 1.466 1 O-C-N 129.696 4.372 . . . . 0.0 113.819 164.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . 0.317 8.4 mt-10 -53.28 -53.41 51.28 Favored 'General case' 0 N--CA 1.518 2.964 0 O-C-N 125.658 1.849 . . . . 0.0 111.946 174.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.471 0.0 OUTLIER -45.36 -49.01 13.33 Favored 'General case' 0 C--N 1.399 2.719 1 N-CA-C 123.781 4.734 . . . . 0.0 123.781 164.961 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -56.03 -52.79 62.98 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 117.775 -3.078 . . . . 0.0 112.726 169.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.281 25.3 t-20 154.22 81.81 0.0 OUTLIER 'General case' 1 N--CA 1.545 4.296 0 C-N-CA 129.662 3.185 . . . . 0.0 105.209 154.351 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.5 t -144.45 101.86 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.46 -2.519 0 CA-C-O 127.895 3.712 . . . . 0.0 106.284 -170.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -15.34 36.18 Favored 'General case' 1 CA--C 1.652 4.882 0 O-C-N 117.078 -3.513 . . . . 0.0 117.637 161.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -156.77 157.42 35.0 Favored 'General case' 2 C--N 1.437 4.386 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 -165.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.447 ' SD ' HG13 ' A' ' 65' ' ' VAL . 14.6 mmt -75.58 128.16 84.49 Favored Pre-proline 0 CA--C 1.598 2.813 2 CA-C-O 109.527 -5.035 . . . . 0.0 108.11 169.427 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.35 88.4 Cg_endo -141.3 148.09 0.0 OUTLIER 'Cis proline' 0 CA--C 1.602 3.882 0 C-N-CA 120.275 -2.802 . . . . 0.0 111.423 -21.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.8 m -127.04 142.11 51.62 Favored 'General case' 0 N--CA 1.387 -3.608 1 N-CA-C 100.077 -4.046 . . . . 0.0 100.077 -130.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -134.34 116.79 15.64 Favored 'General case' 1 N--CA 1.566 5.334 0 N-CA-C 100.848 -3.76 . . . . 0.0 100.848 -163.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.27 54.0 mt -116.31 136.24 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.197 1 C-N-CA 133.707 4.803 . . . . 0.0 106.986 -179.033 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -120.9 109.46 15.14 Favored 'General case' 0 C--N 1.301 -1.52 3 N-CA-C 97.081 -5.155 . . . . 0.0 97.081 -168.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.5 136.64 48.07 Favored 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 129.13 2.972 . . . . 0.0 105.459 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.365 53.8 tttt -142.02 176.71 8.74 Favored 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 126.087 1.755 . . . . 0.0 109.365 -170.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -61.42 56.65 0.01 OUTLIER 'General case' 0 CA--C 1.615 3.468 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 154.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.4 40.66 0.08 OUTLIER Glycine 0 N--CA 1.495 2.625 0 C-N-CA 129.177 3.275 . . . . 0.0 117.218 173.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt 60.68 -170.34 0.15 Allowed 'General case' 0 CA--C 1.611 3.296 0 O-C-N 118.507 -2.761 . . . . 0.0 107.368 -177.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.49 94.2 0.06 Allowed 'General case' 0 CA--C 1.58 2.121 0 CA-C-O 123.975 1.845 . . . . 0.0 111.552 174.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.361 18.3 m -61.36 -58.92 5.35 Favored 'Isoleucine or valine' 0 C--N 1.378 1.815 0 CA-C-N 111.396 -2.638 . . . . 0.0 114.233 166.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -162.68 169.8 19.48 Favored 'General case' 0 C--N 1.382 2.02 0 O-C-N 116.406 -3.934 . . . . 0.0 114.359 -165.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.67 143.43 16.02 Favored 'General case' 0 CA--C 1.575 1.911 0 O-C-N 118.781 -2.45 . . . . 0.0 113.813 -172.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.476 HG21 ' H ' ' A' ' 96' ' ' VAL . 80.9 m -158.67 157.78 32.49 Favored 'General case' 0 CA--C 1.615 3.476 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.476 ' H ' HG21 ' A' ' 95' ' ' THR 0.288 1.2 p -140.65 93.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 C-N-CA 127.1 2.16 . . . . 0.0 107.613 -169.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 178.02 113.21 0.35 Allowed Glycine 0 CA--C 1.561 2.966 0 CA-C-O 127.448 3.804 . . . . 0.0 109.556 172.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.37 107.18 1.04 Allowed 'General case' 0 C--N 1.387 2.21 0 CA-C-O 126.161 2.886 . . . . 0.0 111.902 158.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -158.07 118.28 3.34 Favored 'General case' 0 N--CA 1.521 3.083 0 O-C-N 116.424 -3.922 . . . . 0.0 104.92 -171.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.357 0.0 OUTLIER -45.75 -56.7 4.99 Favored 'General case' 0 N--CA 1.512 2.655 0 N-CA-C 119.346 3.091 . . . . 0.0 119.346 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -79.2 -39.84 32.28 Favored 'General case' 0 N--CA 1.507 2.38 0 CA-C-O 116.414 -1.755 . . . . 0.0 113.885 167.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -43.43 -59.09 3.71 Favored Glycine 0 C--N 1.373 2.633 1 N-CA-C 125.466 4.946 . . . . 0.0 125.466 175.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.9 tp -56.57 -48.77 96.54 Favored Pre-proline 0 CA--C 1.588 2.428 0 CA-C-O 114.003 -2.903 . . . . 0.0 114.388 173.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -46.28 -55.91 3.34 Favored 'Trans proline' 0 C--N 1.402 3.389 1 C-N-CA 125.593 4.195 . . . . 0.0 117.424 159.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.29 17.6 m -51.91 -49.58 62.75 Favored 'General case' 0 N--CA 1.532 3.666 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 178.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.9 tp -62.53 -47.82 82.24 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 118.684 2.846 . . . . 0.0 118.684 169.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.291 42.9 t -56.44 -54.97 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 CA-C-O 113.724 -3.036 . . . . 0.0 113.319 165.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.45 -45.14 17.97 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 118.008 2.595 . . . . 0.0 118.008 173.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -59.47 -48.95 79.68 Favored 'General case' 0 CA--C 1.619 3.612 0 O-C-N 128.143 3.402 . . . . 0.0 112.648 170.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -54.76 -55.83 25.83 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 120.946 3.684 . . . . 0.0 120.946 165.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.463 ' HB1' HD22 ' A' ' 57' ' ' ASN . . . . . . . . 0 N--CA 1.504 2.237 0 N-CA-C 118.686 2.847 . . . . 0.0 118.686 172.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 N--CA 1.52 3.047 0 CA-C-O 122.024 0.916 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.98 171.4 35.28 Favored Glycine 0 CA--C 1.569 3.438 0 C-N-CA 126.036 1.779 . . . . 0.0 114.354 161.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -157.41 136.86 12.04 Favored 'General case' 0 CA--C 1.587 2.394 0 O-C-N 118.95 -2.5 . . . . 0.0 107.11 -169.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.3 t -93.85 114.88 31.39 Favored 'Isoleucine or valine' 0 C--O 1.248 1.015 0 C-N-CA 130.143 3.377 . . . . 0.0 110.831 175.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -124.57 115.95 46.05 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.103 0 N-CA-C 101.883 -3.377 . . . . 0.0 101.883 -173.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.23 139.9 58.12 Favored 'General case' 0 CA--C 1.587 2.392 0 CA-C-O 124.051 1.882 . . . . 0.0 115.291 163.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.555 ' SG ' ' CD1' ' A' ' 61' ' ' LEU . 69.4 m -122.55 147.81 45.94 Favored 'General case' 0 C--N 1.282 -2.341 0 C-N-CA 129.433 3.093 . . . . 0.0 112.888 -172.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -141.24 -64.65 0.44 Allowed 'General case' 0 CA--C 1.565 1.545 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -153.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.3 p -138.35 -169.8 2.67 Favored 'General case' 0 CA--C 1.585 2.307 0 C-N-CA 128.512 2.725 . . . . 0.0 109.562 -165.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.0 p -45.07 -21.72 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.602 2.976 0 CA-C-O 128.264 3.888 . . . . 0.0 121.152 171.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.97 -41.04 95.8 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 117.618 -3.176 . . . . 0.0 112.917 172.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.276 2.1 t -50.87 -34.71 29.29 Favored 'General case' 0 CA--C 1.606 3.107 0 N-CA-C 119.44 3.126 . . . . 0.0 119.44 156.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . 0.253 37.1 m95 -55.58 -51.86 65.68 Favored 'General case' 1 N--CA 1.547 4.421 0 O-C-N 119.577 -1.952 . . . . 0.0 113.695 169.249 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -50.0 -55.58 14.1 Favored 'General case' 0 CA--C 1.604 3.027 0 N-CA-C 117.052 2.241 . . . . 0.0 117.052 161.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.406 33.5 mt-10 -53.9 -64.53 0.8 Allowed 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 121.4 3.852 . . . . 0.0 121.4 172.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -49.36 -58.78 4.48 Favored 'General case' 0 CA--C 1.593 2.615 0 O-C-N 124.618 1.198 . . . . 0.0 113.149 175.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -58.33 -59.32 5.52 Favored 'General case' 0 CA--C 1.585 2.299 0 C-N-CA 127.115 2.166 . . . . 0.0 115.556 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.368 64.7 mm-40 -51.34 -60.41 3.16 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 126.75 2.02 . . . . 0.0 115.75 177.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -54.46 -52.62 61.28 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 119.507 3.151 . . . . 0.0 119.507 169.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.86 -80.75 0.06 OUTLIER Glycine 0 CA--C 1.557 2.7 0 N-CA-C 120.522 2.969 . . . . 0.0 120.522 172.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -83.22 91.41 7.26 Favored 'General case' 0 CA--C 1.482 -1.662 0 O-C-N 128.474 3.102 . . . . 0.0 113.6 153.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.72 -43.07 0.18 Allowed Glycine 0 CA--C 1.546 1.987 0 O-C-N 118.778 -2.451 . . . . 0.0 113.831 170.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.9 m -117.32 136.81 52.86 Favored 'General case' 0 C--O 1.266 1.953 0 C-N-CA 128.293 2.637 . . . . 0.0 104.586 -176.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.83 87.17 0.13 Allowed 'General case' 1 N--CA 1.542 4.16 0 C-N-CA 127.157 2.183 . . . . 0.0 109.186 166.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -162.13 158.18 24.34 Favored 'General case' 1 C--O 1.307 4.119 0 N-CA-C 103.406 -2.813 . . . . 0.0 103.406 176.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.2 tp -87.61 147.32 25.34 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 109.221 -3.627 . . . . 0.0 109.313 157.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.1 pt -141.64 138.49 31.99 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.088 1 C-N-CA 132.196 4.198 . . . . 0.0 106.956 -179.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.262 84.1 t -142.81 127.48 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.462 0 CA-C-N 113.31 -1.768 . . . . 0.0 109.004 -168.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 6.9 p -144.76 105.82 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.596 2.745 0 N-CA-C 118.393 2.738 . . . . 0.0 118.393 -157.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.453 ' HA ' ' O ' ' A' ' 82' ' ' THR . 11.6 t0 -68.56 125.83 27.75 Favored 'General case' 0 C--N 1.379 1.865 0 CA-C-N 110.991 -2.822 . . . . 0.0 117.55 168.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -108.31 105.29 14.92 Favored 'General case' 0 N--CA 1.51 2.53 0 CA-C-O 127.653 3.597 . . . . 0.0 102.192 171.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.9 t -151.02 135.7 17.19 Favored 'General case' 0 N--CA 1.539 3.98 0 CA-C-O 128.211 3.863 . . . . 0.0 103.713 -169.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.26 . . -79.98 149.81 30.67 Favored 'General case' 0 C--O 1.257 1.466 0 CA-C-N 110.224 -3.171 . . . . 0.0 112.154 160.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 t -58.81 -36.92 75.28 Favored 'General case' 0 CA--C 1.589 2.473 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 165.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 43.7 p-90 -58.73 61.91 0.0 OUTLIER 'General case' 1 N--CA 1.568 5.462 0 O-C-N 119.231 -2.168 . . . . 0.0 115.174 162.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.1 t -160.67 93.83 1.53 Allowed Pre-proline 0 CA--C 1.605 3.09 0 CA-C-O 115.552 -2.166 . . . . 0.0 106.923 -171.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -52.83 -34.51 65.92 Favored 'Trans proline' 2 CA--C 1.639 5.771 1 N-CA-C 124.176 4.644 . . . . 0.0 124.176 155.585 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.427 31.8 Cg_exo -51.65 -59.22 1.2 Allowed 'Trans proline' 0 N--CA 1.506 2.252 1 C-N-CA 126.753 4.968 . . . . 0.0 120.643 162.069 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.421 ' SG ' ' CG ' ' A' ' 81' ' ' PRO 0.462 28.7 m -62.52 -27.75 69.37 Favored 'General case' 0 C--N 1.385 2.151 1 N-CA-C 122.596 4.295 . . . . 0.0 122.596 157.61 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -41.69 -58.77 1.86 Allowed 'General case' 0 N--CA 1.513 2.69 0 O-C-N 118.175 -2.828 . . . . 0.0 117.119 152.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.255 12.4 ptm -68.43 -39.83 81.42 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 119.178 -2.201 . . . . 0.0 115.725 167.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.35 1.1 tp -53.15 -36.45 25.21 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.693 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 171.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.96 -60.64 4.34 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 117.037 -3.54 . . . . 0.0 112.877 165.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -45.8 -49.66 10.64 Favored 'Trans proline' 0 C--N 1.38 2.226 1 C-N-CA 125.814 4.342 . . . . 0.0 119.844 164.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.297 46.2 mm -53.64 -55.81 11.68 Favored 'Isoleucine or valine' 0 CA--C 1.623 3.776 0 CA-C-O 123.893 1.806 . . . . 0.0 113.206 168.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -45.96 -39.72 9.3 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 118.218 -2.801 . . . . 0.0 116.331 173.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.34 -53.57 16.14 Favored 'General case' 0 CA--C 1.549 0.905 1 O-C-N 129.554 4.284 . . . . 0.0 117.532 172.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -54.81 -50.0 69.62 Favored 'General case' 1 CA--C 1.645 4.609 0 O-C-N 118.301 -2.749 . . . . 0.0 113.575 167.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.332 2.0 tm? -46.43 -50.73 16.36 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 162.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.21 -37.72 55.84 Favored 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 118.841 2.904 . . . . 0.0 118.841 169.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -69.01 -39.19 79.43 Favored 'General case' 0 C--O 1.258 1.522 0 C-N-CA 129.021 2.928 . . . . 0.0 114.278 169.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -59.52 -33.81 71.84 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 117.997 2.591 . . . . 0.0 117.997 173.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -134.89 96.08 14.91 Favored Pre-proline 0 C--O 1.263 1.772 0 C-N-CA 128.1 2.56 . . . . 0.0 110.392 -155.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.267 4.4 Cg_endo -68.89 -35.63 15.04 Favored 'Trans proline' 0 N--CA 1.527 3.486 2 C-N-CA 133.039 9.159 . . . . 0.0 126.679 179.958 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -71.42 4.22 3.15 Favored 'General case' 0 CA--C 1.588 2.431 0 N-CA-C 118.394 2.738 . . . . 0.0 118.394 176.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.299 2.5 p -144.99 108.03 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.502 0 C-N-CA 122.883 0.473 . . . . 0.0 110.211 -154.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.3 m -69.53 157.52 37.01 Favored 'General case' 0 CA--C 1.589 2.464 0 CA-C-N 112.467 -2.151 . . . . 0.0 110.176 169.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -149.44 122.66 8.94 Favored 'General case' 0 C--O 1.184 -2.359 0 CA-C-N 111.823 -2.444 . . . . 0.0 108.444 -168.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.555 ' CD1' ' SG ' ' A' ' 9' ' ' CYS 0.274 0.3 OUTLIER -148.23 146.65 28.75 Favored 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 127.148 2.179 . . . . 0.0 108.674 -168.439 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -147.75 101.4 3.32 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 126.65 3.119 . . . . 0.0 109.378 -161.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.3 t -77.15 124.03 34.8 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.149 0 CA-C-N 110.154 -3.203 . . . . 0.0 111.521 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -67.31 90.64 0.23 Allowed 'General case' 0 N--CA 1.537 3.909 0 CA-C-N 112.28 -2.236 . . . . 0.0 110.981 155.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.349 1.0 OUTLIER -46.78 -33.27 2.05 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 N-CA-C 119.721 3.23 . . . . 0.0 119.721 172.559 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.434 30.5 m-20 -57.43 -47.47 81.68 Favored 'General case' 0 N--CA 1.532 3.649 0 CA-C-O 116.019 -1.944 . . . . 0.0 116.225 168.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -57.86 -25.33 60.59 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 120.04 3.348 . . . . 0.0 120.04 165.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.0 mt -152.82 45.04 0.68 Allowed 'General case' 0 C--N 1.413 3.352 0 CA-C-O 127.863 3.697 . . . . 0.0 117.279 -164.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.265 14.4 ptpt -62.93 -42.49 99.82 Favored 'General case' 1 N--CA 1.559 4.982 0 O-C-N 119.353 -2.092 . . . . 0.0 116.446 177.106 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.73 -66.54 0.37 Allowed 'General case' 1 N--CA 1.56 5.064 0 C-N-CA 125.696 1.598 . . . . 0.0 113.821 175.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.5 p -60.89 -44.7 98.37 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.687 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 169.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.99 -47.39 5.74 Favored 'General case' 0 C--O 1.172 -3.02 0 O-C-N 116.411 -3.931 . . . . 0.0 116.377 167.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . 0.317 48.8 tt0 -54.33 -58.9 5.65 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 113.062 -1.881 . . . . 0.0 113.042 167.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.253 0.0 OUTLIER -43.21 -55.93 3.71 Favored 'General case' 1 N--CA 1.552 4.637 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 170.781 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.408 16.3 m95 -51.1 -42.33 60.58 Favored 'General case' 0 C--N 1.375 1.68 0 N-CA-C 118.661 2.837 . . . . 0.0 118.661 171.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.285 9.0 t-20 145.77 86.09 0.0 OUTLIER 'General case' 0 C--O 1.258 1.542 0 N-CA-C 102.213 -3.254 . . . . 0.0 102.213 155.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.4 t -168.21 98.52 0.01 OUTLIER 'Isoleucine or valine' 1 CA--C 1.636 4.269 0 CA-C-N 120.92 1.691 . . . . 0.0 110.911 -174.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.293 19.4 pt-20 -114.34 43.97 1.79 Allowed 'General case' 1 CA--C 1.656 5.053 2 CA-C-N 100.02 -7.809 . . . . 0.0 113.008 143.936 . . . . . . . . 4 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.75 114.37 4.29 Favored 'General case' 0 CA--C 1.615 3.465 0 CA-C-O 126.771 3.177 . . . . 0.0 111.33 -169.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . 0.398 33.2 mmt -82.7 106.17 6.31 Favored Pre-proline 0 N--CA 1.518 2.952 0 CA-C-O 113.388 -3.196 . . . . 0.0 109.217 175.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.421 ' CG ' ' SG ' ' A' ' 41' ' ' CYS . 31.2 Cg_endo -151.94 152.15 0.0 OUTLIER 'Cis proline' 0 CA--C 1.591 3.358 3 CA-C-N 130.816 4.899 . . . . 0.0 116.563 -1.015 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 32' ' ' ASP . 4.7 m -107.48 135.41 49.01 Favored 'General case' 0 CA--C 1.586 2.331 1 CA-C-N 105.753 -5.203 . . . . 0.0 105.777 -147.065 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -126.74 134.4 50.64 Favored 'General case' 0 C--O 1.205 -1.241 0 C-N-CA 130.297 3.439 . . . . 0.0 102.473 175.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.305 11.9 mt -136.42 124.77 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.35 0 CA-C-O 127.286 3.422 . . . . 0.0 107.368 -174.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -104.65 107.1 17.87 Favored 'General case' 0 CA--C 1.625 3.863 1 CA-C-N 108.324 -4.035 . . . . 0.0 104.442 -175.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.329 0.1 OUTLIER -130.82 132.05 45.0 Favored 'General case' 0 CA--C 1.582 2.205 0 N-CA-C 101.415 -3.55 . . . . 0.0 101.415 -178.56 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -137.18 -179.48 5.74 Favored 'General case' 0 CA--C 1.604 3.044 0 CA-C-N 108.734 -3.848 . . . . 0.0 106.744 -171.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -57.59 52.29 0.0 OUTLIER 'General case' 0 CA--C 1.589 2.475 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 157.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -178.03 44.92 0.09 OUTLIER Glycine 0 C--O 1.269 2.304 1 C-N-CA 131.659 4.457 . . . . 0.0 111.169 169.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.327 48.3 mtmt 62.03 -162.61 0.28 Allowed 'General case' 0 C--N 1.359 1.019 0 O-C-N 118.135 -2.979 . . . . 0.0 114.364 -172.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.2 tp -57.76 102.72 0.1 Allowed 'General case' 0 N--CA 1.536 3.864 0 CA-C-O 126.102 2.858 . . . . 0.0 108.367 166.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.519 32.7 m -65.64 -54.11 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.693 0 C-N-CA 126.591 1.956 . . . . 0.0 113.478 163.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -161.16 178.83 8.9 Favored 'General case' 0 C--O 1.262 1.753 0 O-C-N 118.979 -2.325 . . . . 0.0 113.931 -165.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.25 139.06 17.99 Favored 'General case' 0 CA--C 1.577 1.985 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -168.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.8 m -157.02 132.9 9.49 Favored 'General case' 0 CA--C 1.623 3.782 0 C-N-CA 124.634 1.174 . . . . 0.0 108.446 -178.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.301 2.3 p -133.29 102.23 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.994 0 O-C-N 128.531 3.644 . . . . 0.0 106.944 -175.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 159.2 88.15 0.07 OUTLIER Glycine 0 C--O 1.289 3.543 1 O-C-N 131.224 5.327 . . . . 0.0 116.017 163.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.28 122.91 5.76 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 117.595 2.443 . . . . 0.0 117.595 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -160.16 129.03 4.94 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 -172.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.28 0.0 OUTLIER -39.6 -57.57 1.46 Allowed 'General case' 0 CA--C 1.604 3.026 1 N-CA-C 122.07 4.1 . . . . 0.0 122.07 -178.891 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.301 6.4 p-10 -73.91 -47.75 35.66 Favored 'General case' 0 CA--C 1.626 3.871 0 CA-C-N 112.111 -2.313 . . . . 0.0 116.573 171.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -36.58 -64.53 0.61 Allowed Glycine 0 C--N 1.29 -1.98 0 C-N-CA 128.794 3.092 . . . . 0.0 119.171 175.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.9 tp -48.25 -59.92 5.21 Favored Pre-proline 0 CA--C 1.576 1.962 0 N-CA-C 118.163 2.653 . . . . 0.0 118.163 166.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.61 -50.36 8.32 Favored 'Trans proline' 0 C--N 1.395 3.008 0 N-CA-C 119.334 2.782 . . . . 0.0 119.334 167.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.4 5.2 m -53.07 -54.42 35.76 Favored 'General case' 0 N--CA 1.533 3.698 0 N-CA-C 120.561 3.541 . . . . 0.0 120.561 172.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 38.5 tp -61.33 -48.71 80.09 Favored 'General case' 0 CA--C 1.583 2.224 0 C-N-CA 128.261 2.624 . . . . 0.0 112.939 174.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 99.3 t -58.28 -37.8 65.12 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.763 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 169.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.87 -56.18 25.56 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 125.086 1.491 . . . . 0.0 114.916 161.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . 0.29 46.8 mttt -48.69 -42.64 35.46 Favored 'General case' 0 C--O 1.263 1.785 0 N-CA-C 118.489 2.774 . . . . 0.0 118.489 170.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.317 33.9 m-70 -64.25 -68.87 0.32 Allowed 'General case' 0 C--O 1.194 -1.831 0 N-CA-C 119.983 3.327 . . . . 0.0 119.983 164.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.528 3.438 0 N-CA-C 120.61 3.559 . . . . 0.0 120.61 168.456 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 . . . . . 0 C--O 1.249 1.077 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.05 158.43 25.47 Favored Glycine 0 N--CA 1.499 2.873 0 CA-C-N 114.31 -1.313 . . . . 0.0 115.455 162.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -151.92 121.64 6.98 Favored 'General case' 0 CA--C 1.571 1.761 0 O-C-N 118.226 -2.926 . . . . 0.0 107.642 -169.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.2 t -85.99 130.26 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.608 3.204 0 C-N-CA 129.329 3.052 . . . . 0.0 112.391 173.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.373 0.4 OUTLIER -129.5 128.76 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.693 0 C-N-CA 129.288 3.035 . . . . 0.0 109.122 -172.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.69 137.64 56.25 Favored 'General case' 0 CA--C 1.577 1.995 0 N-CA-C 119.803 3.261 . . . . 0.0 119.803 157.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.517 ' HB3' ' HG1' ' A' ' 14' ' ' THR . 72.6 m -143.87 135.1 25.72 Favored 'General case' 0 CA--C 1.588 2.414 0 CA-C-N 110.62 -2.991 . . . . 0.0 108.352 -171.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -139.79 -41.26 0.44 Allowed 'General case' 0 C--N 1.382 2.008 0 CA-C-N 110.573 -3.012 . . . . 0.0 115.521 -150.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.0 p -147.06 -168.75 3.13 Favored 'General case' 0 CA--C 1.584 2.286 0 O-C-N 118.803 -2.435 . . . . 0.0 107.385 -166.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 p -52.07 -23.43 3.95 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.613 0 C-N-CA 124.893 1.277 . . . . 0.0 112.05 167.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.56 -39.23 15.99 Favored 'General case' 0 CA--C 1.572 1.819 0 O-C-N 117.813 -3.055 . . . . 0.0 117.578 166.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.517 ' HG1' ' HB3' ' A' ' 9' ' ' CYS 0.357 0.6 OUTLIER -64.42 -38.7 91.96 Favored 'General case' 0 N--CA 1.521 3.096 0 CA-C-O 115.358 -2.258 . . . . 0.0 115.06 166.255 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . 0.322 35.8 m95 -46.8 -42.89 17.78 Favored 'General case' 0 N--CA 1.522 3.145 0 O-C-N 125.963 2.039 . . . . 0.0 116.434 160.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -62.31 -57.05 12.79 Favored 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 121.069 3.729 . . . . 0.0 121.069 154.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -50.56 -60.68 2.78 Favored 'General case' 0 N--CA 1.528 3.468 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -54.07 -60.69 3.0 Favored 'General case' 0 N--CA 1.52 3.048 0 C-N-CA 129.899 3.28 . . . . 0.0 115.713 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.328 21.5 t80 -53.72 -59.81 4.13 Favored 'General case' 0 CA--C 1.599 2.83 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 176.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -49.9 -49.01 51.23 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 119.498 3.147 . . . . 0.0 119.498 170.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.274 22.4 mmtp -62.4 -63.18 1.31 Allowed 'General case' 0 N--CA 1.512 2.67 0 CA-C-O 117.659 -1.163 . . . . 0.0 113.784 170.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.24 -82.15 0.02 OUTLIER Glycine 1 CA--C 1.582 4.276 0 CA-C-O 125.476 2.709 . . . . 0.0 115.961 175.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -75.86 96.85 3.78 Favored 'General case' 0 CA--C 1.564 1.482 0 CA-C-O 124.543 2.116 . . . . 0.0 106.351 161.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.66 -46.63 0.34 Allowed Glycine 0 CA--C 1.571 3.559 0 CA-C-O 126.085 3.047 . . . . 0.0 114.302 166.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.9 m -117.78 123.35 45.77 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 103.87 -2.641 . . . . 0.0 103.87 -166.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -56.98 76.63 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 N-CA-C 117.884 2.55 . . . . 0.0 117.884 168.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -158.14 162.84 37.99 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.245 1.418 . . . . 0.0 110.758 -174.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.2 tp -75.71 151.36 37.68 Favored 'General case' 0 N--CA 1.525 3.295 0 C-N-CA 125.278 1.431 . . . . 0.0 114.597 148.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.9 pt -145.94 127.61 8.04 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.447 0 C-N-CA 130.089 3.355 . . . . 0.0 106.775 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.4 t -133.82 142.85 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.967 0 C-N-CA 130.285 3.434 . . . . 0.0 102.847 -162.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.369 2.5 p -150.15 122.53 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.526 3.346 0 O-C-N 116.676 -3.765 . . . . 0.0 104.744 -162.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -81.01 141.59 34.25 Favored 'General case' 0 CA--C 1.577 2.008 0 C-N-CA 128.645 2.778 . . . . 0.0 106.443 159.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.431 ' CG ' HG23 ' A' ' 77' ' ' VAL . 96.8 m-85 -123.78 105.59 9.79 Favored 'General case' 0 N--CA 1.509 2.508 0 C-N-CA 131.134 3.774 . . . . 0.0 102.414 171.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.495 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 4.1 t -152.07 142.9 22.97 Favored 'General case' 1 CA--C 1.629 4.008 0 CA-C-O 127.26 3.409 . . . . 0.0 104.561 -171.326 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.321 . . -81.37 153.57 26.92 Favored 'General case' 0 N--CA 1.528 3.437 1 CA-C-N 107.78 -4.282 . . . . 0.0 114.345 168.667 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 t -54.84 -40.75 69.95 Favored 'General case' 0 CA--C 1.577 2.011 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 161.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.26 34.8 p-90 -71.45 74.52 0.76 Allowed 'General case' 0 CA--C 1.579 2.088 0 C-N-CA 130.832 3.653 . . . . 0.0 113.777 161.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 46.4 t -164.41 91.46 1.03 Allowed Pre-proline 0 CA--C 1.592 2.58 0 O-C-N 125.679 1.862 . . . . 0.0 107.025 -176.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -56.33 -49.35 15.39 Favored 'Trans proline' 1 CA--C 1.607 4.154 1 C-N-CA 126.879 5.053 . . . . 0.0 115.533 159.738 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -39.98 -53.69 2.35 Favored 'Trans proline' 0 N--CA 1.527 3.487 1 CA-C-N 128.789 4.175 . . . . 0.0 116.743 167.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.448 ' SG ' ' HB ' ' A' ' 34' ' ' THR 0.641 2.3 m -61.43 -40.2 93.57 Favored 'General case' 0 N--CA 1.509 2.52 0 N-CA-C 120.649 3.574 . . . . 0.0 120.649 168.828 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -47.78 -44.36 28.4 Favored 'General case' 0 N--CA 1.484 1.236 1 N-CA-C 122.844 4.387 . . . . 0.0 122.844 166.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.258 15.5 ptm -63.26 -50.86 68.5 Favored 'General case' 1 N--CA 1.545 4.3 0 O-C-N 128.521 3.638 . . . . 0.0 115.425 158.758 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.537 1.0 OUTLIER -49.76 -21.72 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.836 1 N-CA-C 123.647 4.684 . . . . 0.0 123.647 169.039 . . . . . . . . 4 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.85 -68.33 0.84 Allowed Pre-proline 0 CA--C 1.576 1.96 0 CA-C-O 114.886 -2.483 . . . . 0.0 108.509 163.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -44.85 -47.72 11.48 Favored 'Trans proline' 0 C--N 1.37 1.703 1 N-CA-C 124.396 4.729 . . . . 0.0 124.396 166.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.264 32.5 mm -53.75 -53.44 26.4 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.95 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 167.236 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -52.04 -49.04 64.23 Favored 'General case' 1 N--CA 1.55 4.57 0 CA-C-O 118.48 -0.771 . . . . 0.0 112.505 170.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.07 -56.23 20.02 Favored 'General case' 0 C--N 1.375 1.676 0 N-CA-C 119.358 3.096 . . . . 0.0 119.358 167.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.255 41.5 tt0 -48.96 -53.07 21.36 Favored 'General case' 0 N--CA 1.517 2.895 1 O-C-N 113.238 -5.914 . . . . 0.0 120.508 169.444 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.94 -49.21 60.27 Favored 'General case' 0 CA--C 1.587 2.372 0 CA-C-O 114.619 -2.61 . . . . 0.0 114.311 160.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.19 -50.18 16.05 Favored 'General case' 0 C--O 1.276 2.451 0 N-CA-C 118.323 2.712 . . . . 0.0 118.323 166.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -61.5 -29.44 69.98 Favored 'General case' 0 CA--C 1.6 2.875 0 N-CA-C 118.013 2.597 . . . . 0.0 118.013 170.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -71.23 -29.84 65.61 Favored 'General case' 0 CA--C 1.578 2.034 0 C-N-CA 129.5 3.12 . . . . 0.0 114.108 173.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -136.05 98.14 11.85 Favored Pre-proline 0 CA--C 1.603 2.984 0 C-N-CA 127.212 2.205 . . . . 0.0 108.231 -157.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.261 1.8 Cg_endo -71.83 -24.47 21.21 Favored 'Trans proline' 0 CA--C 1.593 3.462 2 C-N-CA 131.788 8.326 . . . . 0.0 125.345 173.872 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -75.25 12.46 0.93 Allowed 'General case' 0 N--CA 1.535 3.815 0 C-N-CA 130.184 3.393 . . . . 0.0 114.328 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.403 1.6 p -150.11 103.27 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.151 0 CA-C-O 124.084 1.897 . . . . 0.0 109.386 -154.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.7 m -62.45 147.84 47.43 Favored 'General case' 0 CA--C 1.624 3.807 0 CA-C-O 125.228 2.442 . . . . 0.0 109.114 160.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -141.66 132.32 25.57 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 109.902 -3.317 . . . . 0.0 107.723 -176.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.488 HD11 ' SG ' ' A' ' 9' ' ' CYS 0.347 1.0 OUTLIER -143.39 159.92 41.5 Favored 'General case' 0 CA--C 1.627 3.935 0 CA-C-N 110.38 -3.1 . . . . 0.0 107.073 -174.015 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.4 ptmm? -150.84 110.93 4.12 Favored 'General case' 0 N--CA 1.518 2.945 0 CA-C-N 112.779 -2.009 . . . . 0.0 110.271 -170.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.3 t -93.31 116.59 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.906 1 C-N-CA 132.624 4.37 . . . . 0.0 109.416 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . 0.265 11.2 t70 -64.4 96.99 0.18 Allowed 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 110.431 -3.077 . . . . 0.0 108.587 158.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.53 HG13 ' SD ' ' A' ' 80' ' ' MET 0.349 0.3 OUTLIER -57.39 -28.48 30.94 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.51 0 CA-C-O 112.76 -3.495 . . . . 0.0 119.022 174.282 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -49.74 -38.38 33.34 Favored 'General case' 1 CA--C 1.63 4.048 0 O-C-N 127.091 2.744 . . . . 0.0 117.986 168.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -77.33 -24.83 50.75 Favored 'General case' 0 CA--C 1.621 3.7 0 N-CA-C 120.127 3.38 . . . . 0.0 120.127 164.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.251 61.4 mt -138.73 37.43 2.2 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 127.035 2.134 . . . . 0.0 114.382 -158.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.39 11.1 ptpt -53.68 -47.1 70.74 Favored 'General case' 0 CA--C 1.574 1.88 1 N-CA-C 123.152 4.501 . . . . 0.0 123.152 167.228 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.35 -59.77 3.68 Favored 'General case' 0 CA--C 1.599 2.845 0 C-N-CA 127.758 2.423 . . . . 0.0 114.387 175.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.457 2.1 p -54.34 -46.76 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.665 0 N-CA-C 119.134 3.013 . . . . 0.0 119.134 166.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.35 -44.43 62.05 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 115.927 -1.987 . . . . 0.0 113.409 170.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . 0.256 17.8 tt0 -54.4 -57.13 12.46 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 127.755 2.422 . . . . 0.0 111.973 169.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.314 0.0 OUTLIER -52.09 -53.65 39.91 Favored 'General case' 0 N--CA 1.523 3.205 0 CA-C-O 111.937 -3.887 . . . . 0.0 115.792 177.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -53.91 -45.84 71.27 Favored 'General case' 0 CA--C 1.61 3.271 0 O-C-N 128.144 3.402 . . . . 0.0 110.29 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.63 23.3 t-20 153.55 67.9 0.0 OUTLIER 'General case' 0 N--CA 1.522 3.126 0 C-N-CA 130.003 3.321 . . . . 0.0 115.02 155.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.431 HG23 ' CG ' ' A' ' 33' ' ' PHE . 85.9 t -144.99 82.66 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.334 1 CA-C-O 130.32 4.866 . . . . 0.0 104.337 -161.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -72.65 -1.7 17.25 Favored 'General case' 0 CA--C 1.597 2.775 2 CA-C-N 106.85 -4.705 . . . . 0.0 122.919 149.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . 0.501 . . -148.36 123.67 10.25 Favored 'General case' 0 CA--C 1.628 3.953 0 O-C-N 128.679 3.737 . . . . 0.0 112.737 -160.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.53 ' SD ' HG13 ' A' ' 65' ' ' VAL 0.355 32.1 mmt -66.61 110.11 4.4 Favored Pre-proline 0 CA--C 1.624 3.816 0 CA-C-N 122.128 2.24 . . . . 0.0 114.554 149.409 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.307 84.4 Cg_endo -148.16 153.84 0.0 OUTLIER 'Cis proline' 0 N--CA 1.535 3.967 1 N-CA-C 124.22 4.661 . . . . 0.0 124.22 -8.047 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.0 m -117.67 139.15 51.4 Favored 'General case' 0 N--CA 1.53 3.529 1 CA-C-N 104.832 -5.622 . . . . 0.0 101.646 -140.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -133.96 110.1 9.46 Favored 'General case' 0 N--CA 1.511 2.593 1 O-C-N 130.728 5.017 . . . . 0.0 101.764 -169.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.3 mt -123.91 148.59 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 1 C-N-CA 132.015 4.126 . . . . 0.0 111.155 -172.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -131.46 113.19 13.4 Favored 'General case' 0 N--CA 1.526 3.368 1 CA-C-N 107.801 -4.272 . . . . 0.0 110.411 -163.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.29 120.72 16.01 Favored 'General case' 0 N--CA 1.512 2.668 1 O-C-N 129.593 4.308 . . . . 0.0 102.066 -169.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.443 ' C ' ' H ' ' A' ' 89' ' ' GLY . 68.7 tttt -125.72 173.47 9.0 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 127.82 2.448 . . . . 0.0 108.608 -169.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.281 3.1 p30 -47.2 26.86 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.081 1 N-CA-C 122.329 4.196 . . . . 0.0 122.329 158.006 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 87' ' ' LYS . . . -161.57 48.32 0.36 Allowed Glycine 0 C--N 1.258 -3.8 0 C-N-CA 125.55 1.548 . . . . 0.0 112.316 -177.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.357 35.6 mtmt 48.74 -172.71 0.02 OUTLIER 'General case' 0 N--CA 1.519 3.0 0 N-CA-C 116.709 2.114 . . . . 0.0 116.709 -170.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.59 ' HG ' ' HZ2' ' A' ' 94' ' ' LYS . 14.7 tp -59.63 101.63 0.12 Allowed 'General case' 0 C--N 1.27 -2.891 0 C-N-CA 130.462 3.505 . . . . 0.0 112.019 -175.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.646 29.3 m -71.31 -42.99 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 129.69 3.196 . . . . 0.0 117.528 175.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -166.28 168.47 15.09 Favored 'General case' 0 N--CA 1.517 2.924 0 CA-C-N 123.024 2.647 . . . . 0.0 110.827 -171.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.59 ' HZ2' ' HG ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -158.9 128.72 5.71 Favored 'General case' 0 N--CA 1.502 2.146 0 CA-C-O 123.9 1.81 . . . . 0.0 109.621 -171.192 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.7 m -156.43 150.56 25.24 Favored 'General case' 1 CA--C 1.632 4.122 1 O-C-N 115.972 -4.205 . . . . 0.0 104.33 -174.488 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.276 1.9 p -145.93 102.49 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.257 -3.43 0 N-CA-C 104.21 -2.515 . . . . 0.0 104.21 -173.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 167.81 91.59 0.08 OUTLIER Glycine 0 N--CA 1.419 -2.478 0 CA-C-N 110.653 -2.976 . . . . 0.0 114.749 168.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -46.57 120.08 2.74 Favored 'General case' 0 C--O 1.198 -1.605 0 N-CA-C 118.175 2.657 . . . . 0.0 118.175 169.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -156.47 128.99 7.63 Favored 'General case' 0 N--CA 1.531 3.58 0 O-C-N 119.61 -1.931 . . . . 0.0 107.556 -172.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.547 0.0 OUTLIER -44.44 -61.15 1.63 Allowed 'General case' 1 CA--C 1.633 4.151 0 CA-C-O 126.944 3.259 . . . . 0.0 115.94 177.509 . . . . . . . . 4 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.392 17.5 p-10 -75.08 -52.06 11.95 Favored 'General case' 1 N--CA 1.54 4.039 0 CA-C-N 112.163 -2.29 . . . . 0.0 114.465 175.733 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -39.27 -57.09 2.22 Favored Glycine 0 N--CA 1.469 0.857 1 N-CA-C 123.423 4.129 . . . . 0.0 123.423 174.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.4 57.4 tp -44.93 -62.26 1.75 Allowed Pre-proline 0 N--CA 1.524 3.262 0 O-C-N 119.502 -2.175 . . . . 0.0 114.585 170.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -55.78 -34.18 90.27 Favored 'Trans proline' 0 C--O 1.267 1.947 0 C-N-CA 124.748 3.632 . . . . 0.0 118.337 167.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.9 m -59.68 -59.22 5.79 Favored 'General case' 0 CA--C 1.604 3.049 0 CA-C-N 121.47 1.941 . . . . 0.0 114.718 169.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 33.1 tp -47.95 -55.72 9.31 Favored 'General case' 0 CA--C 1.591 2.528 0 O-C-N 127.266 2.854 . . . . 0.0 116.096 171.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 54.3 t -53.82 -54.3 20.71 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.113 0 C-N-CA 129.211 3.004 . . . . 0.0 115.677 169.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.75 -52.8 8.04 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-N 119.929 1.24 . . . . 0.0 113.972 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -49.74 -53.33 25.54 Favored 'General case' 0 C--N 1.365 1.256 1 N-CA-C 122.661 4.319 . . . . 0.0 122.661 160.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.251 52.8 m-70 -58.66 -46.88 86.21 Favored 'General case' 0 N--CA 1.525 3.317 0 N-CA-C 120.417 3.488 . . . . 0.0 120.417 170.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.913 0 CA-C-O 114.572 -2.632 . . . . 0.0 116.697 167.079 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--O 1.253 1.287 0 CA-C-O 122.678 1.227 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.42 160.5 27.98 Favored Glycine 0 CA--C 1.558 2.719 0 CA-C-N 112.466 -2.152 . . . . 0.0 117.868 159.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -155.01 129.33 9.0 Favored 'General case' 0 C--N 1.375 1.686 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -168.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -84.4 131.11 34.75 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.802 1 O-C-N 129.298 4.124 . . . . 0.0 106.707 174.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.332 0.2 OUTLIER -133.21 119.09 34.49 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.087 0 C-N-CA 130.318 3.447 . . . . 0.0 104.849 -174.161 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.47 135.82 57.16 Favored 'General case' 1 CA--C 1.646 4.642 0 CA-C-O 125.297 2.475 . . . . 0.0 114.562 163.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.4 ' SG ' HD11 ' A' ' 61' ' ' LEU . 78.7 m -128.43 138.44 52.31 Favored 'General case' 0 CA--C 1.609 3.223 0 CA-C-N 109.273 -3.603 . . . . 0.0 114.217 -178.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.8 m170 -133.51 -47.67 0.82 Allowed 'General case' 0 N--CA 1.522 3.129 1 CA-C-N 108.032 -4.167 . . . . 0.0 116.038 -160.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.4 p -146.44 -169.5 3.28 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 112.609 -2.087 . . . . 0.0 112.709 -158.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.414 5.8 p -51.36 -14.89 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.588 2.416 1 N-CA-C 122.439 4.237 . . . . 0.0 122.439 170.568 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.264 0.9 OUTLIER -61.22 -47.96 83.7 Favored 'General case' 0 CA--C 1.586 2.34 0 CA-C-N 113.396 -1.729 . . . . 0.0 114.221 160.037 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.256 1.0 OUTLIER -50.89 -34.56 28.77 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 115.243 -2.313 . . . . 0.0 116.857 164.801 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . 0.352 28.8 m95 -49.48 -55.88 11.71 Favored 'General case' 0 CA--C 1.612 3.363 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 163.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -55.85 -40.18 72.49 Favored 'General case' 0 N--CA 1.511 2.612 0 N-CA-C 118.994 2.961 . . . . 0.0 118.994 162.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.278 49.2 mt-10 -72.83 -61.49 1.79 Allowed 'General case' 0 CA--C 1.575 1.939 0 C-N-CA 128.531 2.732 . . . . 0.0 117.716 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -57.74 -60.43 3.71 Favored 'General case' 0 C--O 1.259 1.566 0 C-N-CA 128.07 2.548 . . . . 0.0 113.787 176.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.404 12.0 t80 -56.72 -59.06 5.57 Favored 'General case' 0 N--CA 1.515 2.809 0 N-CA-C 117.044 2.239 . . . . 0.0 117.044 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.324 3.7 mm-40 -57.68 -44.41 85.78 Favored 'General case' 0 CA--C 1.598 2.82 0 C-N-CA 126.704 2.002 . . . . 0.0 115.124 174.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.308 23.3 mmtp -57.04 -62.13 1.97 Allowed 'General case' 0 CA--C 1.582 2.19 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 165.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.23 -84.62 0.03 OUTLIER Glycine 0 CA--C 1.57 3.5 0 C-N-CA 127.261 2.362 . . . . 0.0 116.273 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -69.79 86.35 0.5 Allowed 'General case' 0 CA--C 1.585 2.322 0 CA-C-O 125.944 2.783 . . . . 0.0 112.88 159.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.92 -48.23 0.46 Allowed Glycine 0 C--N 1.379 2.919 0 CA-C-N 111.613 -2.54 . . . . 0.0 118.649 161.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.352 26.8 m -82.97 134.44 35.06 Favored 'General case' 0 CA--C 1.587 2.396 0 CA-C-N 108.955 -3.622 . . . . 0.0 107.322 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.307 22.0 mp0 -61.84 70.25 0.01 OUTLIER 'General case' 0 CA--C 1.579 2.076 0 C-N-CA 127.35 2.26 . . . . 0.0 111.549 174.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -163.82 159.22 20.94 Favored 'General case' 0 CA--C 1.563 1.456 0 CA-C-O 124.032 1.873 . . . . 0.0 111.331 -176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.3 tp -86.29 149.07 25.32 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-N 109.315 -3.584 . . . . 0.0 107.218 162.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.5 pt -143.09 127.11 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.119 1 N-CA-C 99.92 -4.104 . . . . 0.0 99.92 -177.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.4 t -134.3 117.9 26.0 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.962 0 N-CA-C 101.858 -3.386 . . . . 0.0 101.858 -168.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.5 p -137.74 109.73 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.624 3.792 0 O-C-N 118.536 -2.603 . . . . 0.0 110.339 -156.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -73.13 148.11 44.22 Favored 'General case' 0 CA--C 1.606 3.106 1 O-C-N 130.09 4.619 . . . . 0.0 111.29 170.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -143.88 104.49 4.17 Favored 'General case' 0 C--O 1.276 2.458 1 N-CA-C 97.179 -5.119 . . . . 0.0 97.179 -171.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.461 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 1.7 t -151.12 145.75 25.67 Favored 'General case' 0 C--O 1.271 2.198 1 CA-C-O 131.562 5.458 . . . . 0.0 100.436 -166.462 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.17 145.35 37.74 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 108.916 -3.766 . . . . 0.0 112.679 167.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.7 t -54.45 -49.25 70.48 Favored 'General case' 0 N--CA 1.534 3.774 1 CA-C-O 110.852 -4.404 . . . . 0.0 114.169 161.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -59.21 76.4 0.01 OUTLIER 'General case' 1 CA--C 1.644 4.578 1 O-C-N 129.58 4.3 . . . . 0.0 115.92 158.652 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.9 t -164.31 79.39 1.44 Allowed Pre-proline 0 N--CA 1.534 3.748 0 CA-C-N 120.205 1.366 . . . . 0.0 110.505 -171.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.88 -43.97 38.82 Favored 'Trans proline' 1 CA--C 1.613 4.452 1 C-N-CA 125.491 4.128 . . . . 0.0 115.982 163.42 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.287 52.8 Cg_exo -46.06 -58.5 1.62 Allowed 'Trans proline' 0 CA--C 1.593 3.43 0 C-N-CA 124.377 3.384 . . . . 0.0 115.649 165.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.443 38.6 m -56.48 -28.21 59.1 Favored 'General case' 0 C--N 1.363 1.183 1 N-CA-C 123.889 4.774 . . . . 0.0 123.889 158.706 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.288 81.8 tttt -51.41 -52.31 47.21 Favored 'General case' 0 CA--C 1.603 3.012 0 CA-C-N 122.657 2.481 . . . . 0.0 111.442 168.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.389 4.4 ptt? -61.96 -52.88 62.24 Favored 'General case' 0 N--CA 1.53 3.563 0 N-CA-C 119.714 3.227 . . . . 0.0 119.714 156.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.617 1.2 tp -43.89 -37.5 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.364 1 N-CA-C 122.271 4.174 . . . . 0.0 122.271 177.865 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.21 -52.79 70.13 Favored Pre-proline 0 N--CA 1.504 2.254 0 CA-C-O 115.716 -2.088 . . . . 0.0 114.822 165.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.84 -48.33 18.27 Favored 'Trans proline' 0 C--N 1.385 2.463 0 CA-C-N 124.57 2.668 . . . . 0.0 118.743 158.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.269 51.5 mm -55.3 -52.19 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.192 0 O-C-N 118.266 -2.771 . . . . 0.0 111.648 172.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -57.43 -43.69 84.05 Favored 'General case' 0 CA--C 1.6 2.883 0 O-C-N 119.272 -2.143 . . . . 0.0 113.11 175.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.54 -46.33 87.06 Favored 'General case' 0 CA--C 1.579 2.073 1 N-CA-C 123.239 4.533 . . . . 0.0 123.239 160.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.331 18.6 tt0 -54.22 -42.67 70.09 Favored 'General case' 0 N--CA 1.513 2.706 0 CA-C-O 128.031 3.777 . . . . 0.0 117.263 165.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -59.42 -52.65 64.69 Favored 'General case' 0 C--N 1.279 -2.498 0 CA-C-N 112.047 -2.342 . . . . 0.0 115.352 171.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.6 -46.05 73.73 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 118.03 2.604 . . . . 0.0 118.03 170.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -51.64 -43.54 62.65 Favored 'General case' 0 CA--C 1.618 3.572 0 C-N-CA 125.515 1.526 . . . . 0.0 114.978 164.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.3 36.9 ttmt -62.47 -31.04 71.71 Favored 'General case' 0 CA--C 1.607 3.147 0 N-CA-C 117.078 2.251 . . . . 0.0 117.078 173.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.443 ' HB3' ' CG1' ' A' ' 58' ' ' VAL . 4.7 m-85 -134.38 93.09 19.56 Favored Pre-proline 0 CA--C 1.611 3.309 0 C-N-CA 129.815 3.246 . . . . 0.0 109.463 -153.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -67.22 -29.85 38.5 Favored 'Trans proline' 0 CA--C 1.575 2.568 2 C-N-CA 130.754 7.636 . . . . 0.0 126.308 172.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -66.25 0.19 2.2 Favored 'General case' 0 C--O 1.274 2.392 0 O-C-N 126.366 2.291 . . . . 0.0 116.37 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 55' ' ' PHE 0.272 4.3 p -146.9 112.95 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.404 0 CA-C-O 124.477 2.084 . . . . 0.0 106.996 -148.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 95.8 m -70.34 154.07 42.32 Favored 'General case' 0 N--CA 1.526 3.369 0 CA-C-N 111.077 -2.783 . . . . 0.0 111.39 164.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -149.21 134.08 17.94 Favored 'General case' 0 CA--C 1.573 1.859 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -171.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.4 HD11 ' SG ' ' A' ' 9' ' ' CYS . 2.7 pp -154.71 164.8 38.23 Favored 'General case' 0 C--N 1.388 2.264 0 N-CA-C 104.373 -2.455 . . . . 0.0 104.373 -171.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -156.5 127.59 6.93 Favored 'General case' 0 CA--C 1.558 1.276 0 O-C-N 118.434 -2.666 . . . . 0.0 112.557 -169.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.7 t -93.19 124.79 45.74 Favored 'Isoleucine or valine' 0 C--O 1.248 0.993 0 CA-C-O 126.379 2.99 . . . . 0.0 107.828 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -70.8 107.67 4.1 Favored 'General case' 1 N--CA 1.561 5.112 1 O-C-N 115.992 -4.192 . . . . 0.0 108.2 146.86 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.373 0.3 OUTLIER -64.98 -43.04 96.21 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.408 0 C-N-CA 127.889 2.476 . . . . 0.0 114.627 -177.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.71 -45.99 4.93 Favored 'General case' 0 N--CA 1.521 3.091 0 O-C-N 119.532 -1.98 . . . . 0.0 114.607 168.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -53.72 -52.2 60.85 Favored 'General case' 0 CA--C 1.568 1.649 0 N-CA-C 121.77 3.989 . . . . 0.0 121.77 160.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.0 mt -134.01 45.95 2.57 Favored 'General case' 0 CA--C 1.604 3.055 0 C-N-CA 131.439 3.895 . . . . 0.0 112.975 -160.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.507 19.0 ptpt -57.24 -45.18 84.16 Favored 'General case' 0 C--N 1.284 -2.248 0 O-C-N 118.692 -2.505 . . . . 0.0 116.61 172.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.72 -72.52 0.06 Allowed 'General case' 0 CA--C 1.576 1.954 0 C-N-CA 130.441 3.497 . . . . 0.0 118.562 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.1 p -64.53 -38.32 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.129 0 CA-C-N 108.837 -3.801 . . . . 0.0 117.76 166.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.67 -40.55 75.74 Favored 'General case' 0 N--CA 1.534 3.745 1 O-C-N 114.937 -4.852 . . . . 0.0 110.83 171.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.446 ' O ' ' HA ' ' A' ' 76' ' ' ASN 0.311 36.4 tt0 -57.71 -53.84 53.68 Favored 'General case' 0 C--N 1.285 -2.203 1 O-C-N 116.082 -4.136 . . . . 0.0 116.194 167.947 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.275 0.0 OUTLIER -53.17 -41.45 65.21 Favored 'General case' 0 C--O 1.304 3.969 0 N-CA-C 120.201 3.408 . . . . 0.0 120.201 172.649 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -59.74 -51.62 68.97 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 125.025 3.557 . . . . 0.0 112.975 161.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' A' ' 73' ' ' GLU . 5.4 t-20 153.53 83.95 0.0 OUTLIER 'General case' 2 CA--C 1.653 4.915 1 CA-C-O 129.478 4.466 . . . . 0.0 106.837 149.206 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.5 t -131.63 94.24 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.588 2.422 0 O-C-N 117.035 -3.54 . . . . 0.0 108.735 -176.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.27 0.0 OUTLIER -89.0 -26.24 21.57 Favored 'General case' 1 C--O 1.139 -4.733 1 CA-C-N 108.015 -4.175 . . . . 0.0 116.112 164.66 . . . . . . . . 5 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.66 144.05 30.18 Favored 'General case' 1 N--CA 1.541 4.118 0 O-C-N 116.587 -3.821 . . . . 0.0 109.851 -160.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.461 ' SD ' ' HA ' ' A' ' 34' ' ' THR . 28.7 mmt -91.1 113.83 59.55 Favored Pre-proline 0 C--O 1.267 1.979 0 O-C-N 117.219 -3.426 . . . . 0.0 106.845 173.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.409 97.6 Cg_endo -155.62 142.45 0.0 OUTLIER 'Cis proline' 1 C--N 1.46 6.41 1 N-CA-C 123.871 4.527 . . . . 0.0 123.871 3.071 . . . . . . . . 4 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.7 m -122.2 127.72 50.33 Favored 'General case' 0 C--N 1.309 -1.186 1 CA-C-N 105.411 -5.359 . . . . 0.0 104.12 -134.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -119.08 121.17 39.22 Favored 'General case' 0 C--N 1.39 2.327 3 CA-C-N 107.384 -4.462 . . . . 0.0 99.377 -163.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.258 1.4 mt -122.32 161.36 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.396 0 CA-C-O 126.473 3.035 . . . . 0.0 106.357 -175.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -142.26 104.62 4.47 Favored 'General case' 1 N--CA 1.541 4.075 0 N-CA-C 102.441 -3.17 . . . . 0.0 102.441 -157.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.79 121.25 19.32 Favored 'General case' 0 CA--C 1.586 2.351 0 N-CA-C 102.394 -3.187 . . . . 0.0 102.394 -171.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -113.01 166.88 11.0 Favored 'General case' 0 CA--C 1.581 2.154 0 C-N-CA 130.834 3.653 . . . . 0.0 109.125 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -66.85 63.46 0.05 Allowed 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 119.245 3.054 . . . . 0.0 119.245 156.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 174.98 53.01 0.05 OUTLIER Glycine 0 CA--C 1.555 2.584 0 C-N-CA 129.502 3.43 . . . . 0.0 109.205 169.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.255 53.4 mtmt 65.24 -176.35 0.18 Allowed 'General case' 1 N--CA 1.539 4.022 1 C-N-CA 132.709 4.404 . . . . 0.0 121.746 -177.115 . . . . . . . . 4 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.43 96.85 0.12 Allowed 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 125.866 1.667 . . . . 0.0 114.477 171.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.289 29.2 m -67.3 -54.92 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.612 3.336 0 CA-C-O 115.821 -2.038 . . . . 0.0 115.656 174.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.02 169.15 24.01 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 120.157 3.391 . . . . 0.0 120.157 -169.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.9 128.3 3.21 Favored 'General case' 0 CA--C 1.579 2.06 0 O-C-N 125.006 1.441 . . . . 0.0 112.291 -170.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.5 m -146.55 148.58 32.3 Favored 'General case' 0 CA--C 1.582 2.176 0 C-N-CA 126.555 1.942 . . . . 0.0 106.546 -173.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -140.63 98.63 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.616 3.502 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 -165.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 174.48 121.19 0.62 Allowed Glycine 0 CA--C 1.558 2.771 0 O-C-N 128.674 3.734 . . . . 0.0 106.735 168.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . 0.324 . . -67.65 101.67 1.06 Allowed 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 112.148 -2.026 . . . . 0.0 111.804 159.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -152.56 115.16 4.53 Favored 'General case' 0 CA--C 1.562 1.429 0 N-CA-C 100.793 -3.78 . . . . 0.0 100.793 -170.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.15 -54.48 6.8 Favored 'General case' 0 N--CA 1.522 3.131 0 N-CA-C 118.979 2.955 . . . . 0.0 118.979 -177.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.256 6.1 p-10 -65.94 -56.8 9.88 Favored 'General case' 0 N--CA 1.511 2.622 0 C-N-CA 127.607 2.363 . . . . 0.0 114.704 167.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -34.9 -56.78 0.82 Allowed Glycine 1 N--CA 1.531 4.99 0 N-CA-C 120.847 3.099 . . . . 0.0 120.847 178.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.33 17.7 tp -48.63 -63.25 1.67 Allowed Pre-proline 0 CA--C 1.611 3.296 0 C-N-CA 127.892 2.477 . . . . 0.0 113.886 170.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -47.67 -44.37 26.33 Favored 'Trans proline' 0 C--N 1.368 1.589 0 N-CA-C 121.795 3.729 . . . . 0.0 121.795 167.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.325 5.7 m -48.13 -61.35 2.02 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 127.234 2.834 . . . . 0.0 115.261 175.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.92 -56.1 22.75 Favored 'General case' 0 CA--C 1.578 2.05 0 CA-C-O 114.092 -2.861 . . . . 0.0 114.504 175.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.278 40.4 t -45.56 -40.44 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.187 0 CA-C-N 123.739 2.972 . . . . 0.0 117.096 165.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.01 -48.36 80.27 Favored 'General case' 0 C--N 1.378 1.828 0 N-CA-C 118.994 2.961 . . . . 0.0 118.994 176.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -62.01 -42.3 99.01 Favored 'General case' 0 CA--C 1.62 3.664 0 CA-C-N 112.306 -2.225 . . . . 0.0 111.677 165.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -54.05 -58.03 8.86 Favored 'General case' 0 CA--C 1.591 2.548 1 O-C-N 114.886 -4.884 . . . . 0.0 118.829 165.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.527 3.412 0 N-CA-C 119.412 3.116 . . . . 0.0 119.412 174.047 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.271 0.3 OUTLIER . . . . . 0 N--CA 1.502 2.163 0 CA-C-O 122.522 1.153 . . . . 0.0 109.127 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.72 158.96 51.85 Favored Glycine 0 N--CA 1.513 3.801 0 C-N-CA 127.442 2.449 . . . . 0.0 112.459 164.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -144.16 116.03 8.29 Favored 'General case' 0 C--O 1.179 -2.629 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 -155.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.4 t -90.31 116.77 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-O 125.012 2.339 . . . . 0.0 108.499 172.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.37 121.23 45.29 Favored 'Isoleucine or valine' 0 CA--C 1.612 3.355 0 C-N-CA 129.367 3.067 . . . . 0.0 106.696 -176.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.72 149.3 49.4 Favored 'General case' 0 CA--C 1.583 2.241 0 N-CA-C 117.292 2.33 . . . . 0.0 117.292 166.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.529 ' SG ' HD11 ' A' ' 61' ' ' LEU . 82.2 m -138.24 139.06 39.05 Favored 'General case' 0 CA--C 1.594 2.669 0 CA-C-O 125.666 2.651 . . . . 0.0 110.828 -167.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -149.36 -11.17 0.31 Allowed 'General case' 0 CA--C 1.588 2.417 0 O-C-N 118.644 -2.535 . . . . 0.0 115.49 -165.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.5 p -155.69 -174.48 4.98 Favored 'General case' 0 C--N 1.391 2.379 0 O-C-N 116.982 -3.574 . . . . 0.0 106.872 -163.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.343 14.8 p -55.77 -23.01 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.554 0 O-C-N 118.642 -2.536 . . . . 0.0 116.293 166.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -50.33 -45.96 55.25 Favored 'General case' 0 N--CA 1.519 2.982 0 N-CA-C 118.408 2.744 . . . . 0.0 118.408 167.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.7 -33.91 72.21 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 119.181 3.03 . . . . 0.0 119.181 162.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -54.3 -42.54 70.2 Favored 'General case' 0 CA--C 1.586 2.354 0 CA-C-O 115.468 -2.206 . . . . 0.0 112.812 165.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -60.26 -58.6 7.83 Favored 'General case' 0 CA--C 1.585 2.297 0 O-C-N 128.546 3.654 . . . . 0.0 114.13 164.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.32 27.2 mt-10 -43.72 -59.0 2.41 Favored 'General case' 0 N--CA 1.538 3.969 0 O-C-N 119.104 -2.248 . . . . 0.0 116.326 175.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -51.97 -66.11 0.44 Allowed 'General case' 0 CA--C 1.607 3.144 1 CA-C-O 129.005 4.241 . . . . 0.0 115.081 -177.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.25 41.1 m-85 -60.64 -58.21 9.45 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 113.807 -2.997 . . . . 0.0 117.385 177.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -53.34 -50.33 65.25 Favored 'General case' 0 N--CA 1.529 3.489 0 O-C-N 127.129 2.768 . . . . 0.0 115.793 174.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -59.73 -59.94 4.63 Favored 'General case' 0 CA--C 1.586 2.365 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 170.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.34 -83.93 0.02 OUTLIER Glycine 0 N--CA 1.512 3.737 0 C-N-CA 127.1 2.286 . . . . 0.0 114.498 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -71.81 97.95 1.89 Allowed 'General case' 0 C--O 1.268 2.066 0 CA-C-O 127.641 3.591 . . . . 0.0 111.226 154.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.95 -46.66 0.36 Allowed Glycine 0 CA--C 1.534 1.237 0 CA-C-N 109.805 -3.361 . . . . 0.0 114.482 163.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -110.85 140.52 45.23 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 129.145 3.497 . . . . 0.0 104.373 -172.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -60.57 72.87 0.01 OUTLIER 'General case' 0 N--CA 1.533 3.68 0 CA-C-O 127.887 3.708 . . . . 0.0 116.557 169.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -162.27 155.97 20.99 Favored 'General case' 0 C--N 1.418 3.558 1 O-C-N 116.122 -4.111 . . . . 0.0 115.272 -176.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.7 tp -83.75 153.79 23.94 Favored 'General case' 0 N--CA 1.526 3.329 0 C-N-CA 126.119 1.768 . . . . 0.0 108.616 155.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -151.71 135.38 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 N-CA-C 103.291 -2.855 . . . . 0.0 103.291 -174.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.8 142.41 44.06 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 C-N-CA 128.605 2.762 . . . . 0.0 109.65 -167.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.306 1.0 OUTLIER -151.33 103.85 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.622 3.723 0 O-C-N 120.06 -1.65 . . . . 0.0 106.929 -166.071 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -76.33 104.38 6.83 Favored 'General case' 0 CA--C 1.601 2.926 0 C-N-CA 131.675 3.99 . . . . 0.0 113.13 170.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -86.6 105.08 16.61 Favored 'General case' 0 C--O 1.299 3.66 0 C-N-CA 129.49 3.116 . . . . 0.0 103.216 171.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.433 ' HG1' ' N ' ' A' ' 35' ' ' ALA . 9.3 t -158.04 157.66 33.34 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 119.752 -1.842 . . . . 0.0 109.492 -173.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.433 ' N ' ' HG1' ' A' ' 34' ' ' THR 0.281 . . -100.44 147.65 25.62 Favored 'General case' 0 N--CA 1.508 2.433 0 CA-C-O 126.101 2.858 . . . . 0.0 108.989 176.541 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 t -52.87 -40.85 63.78 Favored 'General case' 0 N--CA 1.535 3.805 0 N-CA-C 117.647 2.462 . . . . 0.0 117.647 168.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.359 47.4 p-90 -71.31 79.02 0.73 Allowed 'General case' 0 CA--C 1.571 1.78 0 O-C-N 127.486 2.991 . . . . 0.0 112.957 160.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.7 t -164.0 94.63 1.02 Allowed Pre-proline 0 CA--C 1.559 1.294 0 N-CA-C 104.117 -2.549 . . . . 0.0 104.117 176.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.262 6.9 Cg_endo -53.84 -43.51 57.42 Favored 'Trans proline' 1 CA--C 1.608 4.175 1 C-N-CA 125.347 4.031 . . . . 0.0 116.393 167.322 . . . . . . . . 4 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.381 39.6 Cg_exo -47.5 -56.57 2.95 Favored 'Trans proline' 0 C--N 1.372 1.805 1 C-N-CA 126.14 4.56 . . . . 0.0 117.914 168.082 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.289 71.8 m -63.84 -18.72 64.42 Favored 'General case' 0 CA--C 1.478 -1.797 0 N-CA-C 119.907 3.299 . . . . 0.0 119.907 158.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.277 62.7 mttp -54.21 -58.99 5.3 Favored 'General case' 0 N--CA 1.517 2.904 0 O-C-N 116.375 -3.953 . . . . 0.0 114.135 160.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.384 15.3 ptt? -50.98 -38.01 48.32 Favored 'General case' 1 CA--C 1.656 5.05 0 O-C-N 117.281 -3.387 . . . . 0.0 120.082 162.666 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.521 1.0 OUTLIER -64.08 -24.75 36.48 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.493 0 N-CA-C 119.264 3.061 . . . . 0.0 119.264 168.859 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.298 . . -56.24 -63.49 3.32 Favored Pre-proline 0 N--CA 1.501 2.091 0 CA-C-N 123.626 2.921 . . . . 0.0 114.699 164.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . 0.316 28.1 Cg_endo -48.82 -39.34 39.12 Favored 'Trans proline' 0 C--O 1.259 1.542 0 N-CA-C 120.73 3.319 . . . . 0.0 120.73 159.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.42 46.8 mm -60.48 -52.51 60.55 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.907 0 CA-C-N 123.793 2.997 . . . . 0.0 112.771 173.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -47.62 -55.5 9.21 Favored 'General case' 0 CA--C 1.571 1.782 0 CA-C-O 113.866 -2.969 . . . . 0.0 114.175 169.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.09 -44.3 87.54 Favored 'General case' 0 CA--C 1.61 3.263 1 N-CA-C 123.959 4.8 . . . . 0.0 123.959 165.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.341 3.1 tm-20 -45.12 -64.79 0.64 Allowed 'General case' 0 CA--C 1.588 2.436 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 166.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.346 0.7 OUTLIER -61.15 -37.72 83.89 Favored 'General case' 0 CA--C 1.604 3.036 0 O-C-N 127.916 3.26 . . . . 0.0 114.574 174.078 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.42 -45.84 73.08 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 118.374 -2.704 . . . . 0.0 117.409 162.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -59.74 -30.35 68.78 Favored 'General case' 0 N--CA 1.528 3.426 0 N-CA-C 120.234 3.42 . . . . 0.0 120.234 163.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -66.25 -40.84 90.47 Favored 'General case' 0 CA--C 1.583 2.239 0 CA-C-O 123.545 1.64 . . . . 0.0 113.795 170.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -126.95 99.47 28.88 Favored Pre-proline 0 CA--C 1.6 2.889 0 C-N-CA 130.413 3.485 . . . . 0.0 103.43 -155.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.356 35.6 Cg_endo -73.42 -24.4 16.44 Favored 'Trans proline' 1 CA--C 1.611 4.367 2 C-N-CA 132.274 8.65 . . . . 0.0 122.994 176.438 . . . . . . . . 4 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -79.53 18.17 0.77 Allowed 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 129.723 3.209 . . . . 0.0 117.262 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.258 7.7 p -155.41 118.74 0.44 Allowed 'Isoleucine or valine' 1 CA--C 1.655 4.986 0 C-N-CA 116.723 -1.991 . . . . 0.0 109.353 -158.432 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.1 m -84.76 154.96 22.07 Favored 'General case' 0 CA--C 1.574 1.88 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 169.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -145.92 129.2 16.74 Favored 'General case' 0 CA--C 1.585 2.325 0 CA-C-N 109.545 -3.479 . . . . 0.0 109.977 -171.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.529 HD11 ' SG ' ' A' ' 9' ' ' CYS 0.418 2.1 pp -144.14 158.61 43.62 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 127.299 3.428 . . . . 0.0 103.602 -170.4 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -150.76 114.53 4.97 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 110.89 -2.868 . . . . 0.0 111.773 -174.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 73.9 t -84.72 128.68 38.72 Favored 'Isoleucine or valine' 0 C--N 1.36 1.056 0 C-N-CA 127.976 2.51 . . . . 0.0 112.134 173.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -69.38 100.27 1.34 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.573 1.949 . . . . 0.0 108.365 156.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.389 8.9 p -48.09 -41.19 9.76 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.93 0 N-CA-C 118.88 2.918 . . . . 0.0 118.88 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -50.25 -33.19 18.84 Favored 'General case' 0 N--CA 1.517 2.901 0 N-CA-C 118.57 2.804 . . . . 0.0 118.57 171.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -62.89 -54.6 36.2 Favored 'General case' 0 N--CA 1.517 2.886 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 163.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.7 mt -130.07 48.75 2.35 Favored 'General case' 0 CA--C 1.579 2.067 0 C-N-CA 128.749 2.82 . . . . 0.0 109.063 -158.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -65.02 -48.27 74.52 Favored 'General case' 0 CA--C 1.616 3.495 0 CA-C-O 114.398 -2.715 . . . . 0.0 116.941 165.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.252 . . -50.71 -55.06 18.35 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 128.644 2.778 . . . . 0.0 113.65 173.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.338 5.4 p -61.85 -50.19 81.16 Favored 'Isoleucine or valine' 0 CA--C 1.612 3.34 0 N-CA-C 118.325 2.713 . . . . 0.0 118.325 167.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.76 -51.11 9.69 Favored 'General case' 0 C--O 1.27 2.152 0 N-CA-C 115.467 1.655 . . . . 0.0 115.467 168.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -52.16 -47.12 65.65 Favored 'General case' 0 C--N 1.382 2.019 0 CA-C-O 116.01 -1.947 . . . . 0.0 115.174 172.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.591 3.8 pt-20 -54.39 -62.98 1.3 Allowed 'General case' 0 C--N 1.396 2.6 1 CA-C-O 111.607 -4.045 . . . . 0.0 116.59 176.131 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -43.28 -47.89 6.65 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-N 124.105 3.139 . . . . 0.0 119.372 166.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.3 t30 151.53 82.63 0.0 OUTLIER 'General case' 1 N--CA 1.544 4.239 0 N-CA-C 100.562 -3.866 . . . . 0.0 100.562 149.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.3 t -151.26 74.57 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.613 3.396 0 C-N-CA 126.787 2.035 . . . . 0.0 109.683 -169.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -72.69 -7.7 51.75 Favored 'General case' 0 CA--C 1.58 2.106 0 O-C-N 128.76 3.787 . . . . 0.0 118.59 149.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.64 118.53 11.17 Favored 'General case' 0 C--N 1.4 2.792 0 C-N-CA 128.71 2.804 . . . . 0.0 118.001 -163.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.415 ' HA ' ' HA ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -67.95 116.93 43.55 Favored Pre-proline 0 CA--C 1.592 2.558 0 CA-C-N 112.97 -1.923 . . . . 0.0 113.918 166.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.415 ' HA ' ' HA ' ' A' ' 80' ' ' MET 0.419 29.1 Cg_endo -153.97 128.88 0.0 OUTLIER 'Cis proline' 2 N--CA 1.575 6.291 0 N-CA-C 120.692 3.305 . . . . 0.0 120.692 0.681 . . . . . . . . 4 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.2 m -95.96 136.05 36.91 Favored 'General case' 1 C--N 1.455 5.161 3 O-C-N 135.799 8.187 . . . . 0.0 99.788 -154.604 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -106.09 129.99 54.08 Favored 'General case' 0 CA--C 1.474 -1.962 1 CA-C-N 103.499 -6.228 . . . . 0.0 103.448 171.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.54 145.25 34.39 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.352 0 C-N-CA 129.213 3.005 . . . . 0.0 108.597 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -141.18 121.27 13.75 Favored 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 124.706 1.202 . . . . 0.0 110.674 -157.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.86 127.64 29.2 Favored 'General case' 1 CA--C 1.653 4.906 1 O-C-N 130.446 4.841 . . . . 0.0 103.797 -170.943 . . . . . . . . 4 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.252 29.9 tptt -95.58 170.78 9.1 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 131.096 3.759 . . . . 0.0 113.722 167.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -59.25 29.17 0.01 OUTLIER 'General case' 0 N--CA 1.521 3.106 0 N-CA-C 117.137 2.273 . . . . 0.0 117.137 157.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.05 40.78 0.21 Allowed Glycine 2 CA--C 1.634 7.502 0 CA-C-O 124.983 2.435 . . . . 0.0 118.43 -178.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.302 19.1 mttt 85.37 178.19 0.04 OUTLIER 'General case' 0 N--CA 1.513 2.686 0 CA-C-O 112.44 -3.648 . . . . 0.0 115.547 171.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.1 tp -47.16 108.91 0.16 Allowed 'General case' 1 CA--C 1.637 4.308 0 O-C-N 126.1 2.125 . . . . 0.0 113.838 172.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.266 5.5 m -81.6 -45.36 20.44 Favored 'Isoleucine or valine' 0 C--O 1.262 1.736 0 CA-C-N 112.368 -2.196 . . . . 0.0 114.059 169.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -169.55 170.1 8.38 Favored 'General case' 0 N--CA 1.524 3.265 0 CA-C-N 122.061 2.209 . . . . 0.0 113.168 -174.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -153.09 134.37 14.23 Favored 'General case' 0 C--O 1.288 3.129 0 C-N-CA 128.323 2.649 . . . . 0.0 105.969 -178.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 76.7 m -161.48 143.91 12.02 Favored 'General case' 0 N--CA 1.521 3.095 0 CA-C-O 127.402 3.477 . . . . 0.0 107.961 -175.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.307 2.4 p -130.38 108.05 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.81 0 CA-C-N 110.699 -2.955 . . . . 0.0 103.064 -157.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -171.68 -160.39 20.12 Favored Glycine 0 C--N 1.389 3.502 0 CA-C-O 117.137 -1.924 . . . . 0.0 111.267 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -172.47 107.2 0.19 Allowed 'General case' 0 CA--C 1.598 2.818 0 C-N-CA 127.5 2.32 . . . . 0.0 105.092 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -170.12 127.46 0.85 Allowed 'General case' 0 N--CA 1.515 2.814 0 CA-C-N 112.499 -2.137 . . . . 0.0 110.568 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -47.79 -49.91 27.36 Favored 'General case' 0 CA--C 1.602 2.963 0 N-CA-C 120.242 3.423 . . . . 0.0 120.242 174.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -71.32 -42.24 68.84 Favored 'General case' 0 CA--C 1.594 2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 113.856 164.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -43.95 -55.8 5.45 Favored Glycine 1 N--CA 1.534 5.231 0 N-CA-C 121.113 3.205 . . . . 0.0 121.113 177.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.66 -53.62 21.18 Favored Pre-proline 0 CA--C 1.591 2.533 0 CA-C-O 116.708 -1.615 . . . . 0.0 112.463 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -43.86 -49.81 7.87 Favored 'Trans proline' 0 N--CA 1.441 -1.58 0 N-CA-C 120.416 3.198 . . . . 0.0 120.416 160.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.4 m -52.1 -60.9 2.65 Favored 'General case' 0 CA--C 1.596 2.719 0 O-C-N 117.856 -3.027 . . . . 0.0 113.639 171.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.359 50.0 tp -51.56 -56.35 14.01 Favored 'General case' 0 CA--C 1.573 1.845 0 C-N-CA 127.276 2.23 . . . . 0.0 114.792 177.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.286 11.7 t -53.58 -56.2 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.836 0 CA-C-O 114.609 -2.615 . . . . 0.0 116.303 163.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.28 -52.57 7.42 Favored 'General case' 0 CA--C 1.609 3.218 0 CA-C-O 124.349 2.024 . . . . 0.0 112.349 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -53.16 -39.78 63.82 Favored 'General case' 0 C--N 1.381 1.955 0 N-CA-C 118.449 2.759 . . . . 0.0 118.449 172.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -71.16 -60.24 2.34 Favored 'General case' 0 CA--C 1.582 2.184 0 CA-C-O 125.646 2.641 . . . . 0.0 117.847 168.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.203 -1.378 0 CA-C-O 112.008 -3.853 . . . . 0.0 117.974 -179.644 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.571 1.784 0 CA-C-O 123.952 1.834 . . . . 0.0 107.097 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -143.85 123.94 13.66 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 -168.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -159.41 156.34 28.24 Favored 'General case' 0 CA--C 1.604 3.057 0 CA-C-N 113.601 -1.636 . . . . 0.0 111.483 -174.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.11 157.83 53.36 Favored Glycine 0 CA--C 1.557 2.658 0 O-C-N 127.81 3.194 . . . . 0.0 109.236 165.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -135.82 111.25 9.14 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 102.603 -3.11 . . . . 0.0 102.603 -165.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -78.84 116.35 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.277 0 C-N-CA 127.265 2.226 . . . . 0.0 109.509 163.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.258 0.3 OUTLIER -120.62 127.27 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 -178.462 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.93 149.14 39.5 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 128.509 2.724 . . . . 0.0 115.249 167.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.3 m -150.98 145.17 25.38 Favored 'General case' 0 CA--C 1.601 2.928 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -160.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -141.55 -42.81 0.36 Allowed 'General case' 0 C--O 1.248 0.975 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -147.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 p -145.29 -169.57 3.23 Favored 'General case' 0 CA--C 1.584 2.251 0 C-N-CA 126.612 1.965 . . . . 0.0 110.903 -162.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.263 8.0 p -48.37 -24.0 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 117.213 2.301 . . . . 0.0 117.213 165.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.5 -39.64 67.78 Favored 'General case' 0 CA--C 1.572 1.802 0 N-CA-C 120.096 3.369 . . . . 0.0 120.096 165.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.326 1.6 t -59.87 -35.13 74.16 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 119.776 3.25 . . . . 0.0 119.776 159.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -49.69 -44.21 47.91 Favored 'General case' 0 C--N 1.377 1.799 0 O-C-N 119.256 -2.153 . . . . 0.0 115.276 163.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -57.77 -56.06 26.8 Favored 'General case' 0 C--O 1.206 -1.233 0 O-C-N 121.131 -0.98 . . . . 0.0 113.608 166.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.33 -61.02 2.9 Favored 'General case' 0 CA--C 1.611 3.304 0 O-C-N 117.717 -3.114 . . . . 0.0 116.06 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -50.66 -65.1 0.62 Allowed 'General case' 0 CA--C 1.573 1.848 0 N-CA-C 116.952 2.204 . . . . 0.0 116.952 176.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.304 7.7 t80 -56.3 -55.76 29.44 Favored 'General case' 0 CA--C 1.591 2.521 1 N-CA-C 123.331 4.567 . . . . 0.0 123.331 177.286 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.535 39.6 mm-40 -63.31 -38.38 90.95 Favored 'General case' 0 CA--C 1.583 2.234 0 N-CA-C 120.971 3.693 . . . . 0.0 120.971 171.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.264 30.6 mmtp -58.57 -65.45 0.65 Allowed 'General case' 0 CA--C 1.568 1.655 0 CA-C-O 117.223 -1.37 . . . . 0.0 114.083 156.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.31 -79.47 0.06 OUTLIER Glycine 1 CA--C 1.585 4.426 0 C-N-CA 128.357 2.884 . . . . 0.0 117.149 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -79.41 78.93 5.9 Favored 'General case' 0 C--N 1.376 1.74 0 C-N-CA 127.541 2.336 . . . . 0.0 112.302 161.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.61 -39.06 0.12 Allowed Glycine 0 C--O 1.248 1.023 0 CA-C-N 112.929 -1.941 . . . . 0.0 116.586 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.9 m -119.43 139.27 52.31 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 129.508 3.123 . . . . 0.0 105.844 -175.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -71.75 87.15 0.96 Allowed 'General case' 0 C--O 1.272 2.289 0 CA-C-N 110.899 -2.864 . . . . 0.0 110.955 166.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -166.41 154.79 10.54 Favored 'General case' 0 CA--C 1.584 2.285 0 O-C-N 127.625 3.078 . . . . 0.0 111.646 176.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.9 tp -76.4 153.09 36.01 Favored 'General case' 0 CA--C 1.583 2.213 0 CA-C-O 123.165 1.459 . . . . 0.0 108.605 153.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -146.45 134.26 15.27 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.076 0 N-CA-C 104.562 -2.385 . . . . 0.0 104.562 -179.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 59.3 t -136.98 134.12 47.98 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.124 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 -166.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 3.1 p -147.27 122.64 2.56 Favored 'Isoleucine or valine' 0 C--N 1.369 1.428 0 CA-C-N 112.65 -2.068 . . . . 0.0 108.629 -168.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -81.7 146.03 30.21 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-N 111.878 -2.419 . . . . 0.0 108.331 165.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -125.71 100.06 6.26 Favored 'General case' 0 C--O 1.275 2.426 0 C-N-CA 130.278 3.431 . . . . 0.0 102.988 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.495 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 9.6 t -145.65 138.14 25.73 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 128.896 2.879 . . . . 0.0 107.542 -168.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.27 . . -73.8 139.86 45.44 Favored 'General case' 0 CA--C 1.565 1.531 0 CA-C-N 110.91 -2.859 . . . . 0.0 109.162 161.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.489 ' HB2' ' HD2' ' A' ' 64' ' ' ASP . 48.1 t -55.82 -39.78 71.84 Favored 'General case' 0 CA--C 1.609 3.215 0 CA-C-N 112.543 -2.117 . . . . 0.0 115.76 172.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.271 45.6 p-90 -59.86 90.73 0.02 OUTLIER 'General case' 0 C--N 1.374 1.644 0 N-CA-C 119.383 3.105 . . . . 0.0 119.383 143.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.7 t -175.52 89.63 0.29 Allowed Pre-proline 0 CA--C 1.56 1.335 0 C-N-CA 126.098 1.759 . . . . 0.0 106.936 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -56.15 -41.42 76.96 Favored 'Trans proline' 1 CA--C 1.606 4.124 0 C-N-CA 123.046 2.498 . . . . 0.0 115.842 163.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -47.04 -50.25 11.29 Favored 'Trans proline' 0 CA--C 1.574 2.503 0 CA-C-N 127.163 3.594 . . . . 0.0 120.788 162.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.512 77.1 m -60.47 -25.36 65.97 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 121.18 3.77 . . . . 0.0 121.18 159.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -59.98 -43.93 94.82 Favored 'General case' 0 N--CA 1.51 2.57 1 N-CA-C 122.061 4.096 . . . . 0.0 122.061 162.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.268 8.7 ptt? -61.2 -46.09 91.9 Favored 'General case' 0 CA--C 1.625 3.862 0 N-CA-C 116.334 1.976 . . . . 0.0 116.334 157.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.449 1.0 OUTLIER -56.69 -43.32 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 175.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.17 -56.39 10.85 Favored Pre-proline 0 CA--C 1.599 2.852 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 168.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . 0.364 38.8 Cg_exo -48.04 -40.07 33.43 Favored 'Trans proline' 0 C--N 1.375 1.931 1 N-CA-C 123.688 4.457 . . . . 0.0 123.688 157.613 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.417 50.2 mm -57.62 -54.26 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 118.738 -2.476 . . . . 0.0 111.625 171.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -55.23 -33.16 62.88 Favored 'General case' 0 C--O 1.251 1.154 0 N-CA-C 117.934 2.568 . . . . 0.0 117.934 169.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.96 -54.08 14.91 Favored 'General case' 0 CA--C 1.602 2.953 0 C-N-CA 131.222 3.809 . . . . 0.0 116.768 164.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -51.79 -52.6 47.81 Favored 'General case' 0 CA--C 1.592 2.575 0 O-C-N 116.922 -3.612 . . . . 0.0 112.989 169.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -51.34 -46.42 62.66 Favored 'General case' 0 N--CA 1.526 3.374 0 O-C-N 118.446 -2.659 . . . . 0.0 115.529 168.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.09 -50.4 20.02 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 120.193 3.405 . . . . 0.0 120.193 166.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -57.05 -29.7 63.64 Favored 'General case' 0 N--CA 1.514 2.76 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 165.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.298 17.4 ttmt -70.77 -34.1 71.45 Favored 'General case' 0 CA--C 1.593 2.611 0 C-N-CA 130.919 3.688 . . . . 0.0 114.261 172.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -133.93 94.67 18.2 Favored Pre-proline 0 CA--C 1.621 3.68 0 C-N-CA 127.871 2.468 . . . . 0.0 105.925 -158.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.3 86.2 Cg_endo -69.52 -33.84 16.64 Favored 'Trans proline' 0 C--O 1.27 2.107 2 N-CA-C 126.079 5.376 . . . . 0.0 126.079 166.455 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.276 17.9 p30 -61.29 -4.39 1.19 Allowed 'General case' 0 CA--C 1.602 2.969 0 C-N-CA 129.05 2.94 . . . . 0.0 115.903 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.4 p -145.28 108.67 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.587 2.396 0 CA-C-O 123.49 1.614 . . . . 0.0 107.954 -150.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.9 m -68.47 152.46 45.36 Favored 'General case' 0 CA--C 1.594 2.635 0 CA-C-O 125.909 2.766 . . . . 0.0 112.196 166.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -138.5 131.34 29.51 Favored 'General case' 0 CA--C 1.558 1.267 0 CA-C-N 112.679 -2.055 . . . . 0.0 108.126 -169.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.432 0.6 OUTLIER -153.73 160.07 42.18 Favored 'General case' 0 N--CA 1.432 -1.352 0 C-N-CA 125.207 1.403 . . . . 0.0 107.567 -171.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -156.75 122.44 4.79 Favored 'General case' 0 N--CA 1.53 3.565 0 N-CA-C 105.028 -2.212 . . . . 0.0 105.028 -168.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.4 t -102.47 125.86 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.603 0 C-N-CA 130.169 3.388 . . . . 0.0 111.139 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.489 ' HD2' ' HB2' ' A' ' 36' ' ' SER . 3.6 t0 -66.11 102.89 0.87 Allowed 'General case' 0 N--CA 1.522 3.163 1 O-C-N 129.76 4.413 . . . . 0.0 110.633 159.25 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.282 1.6 p -52.69 -44.8 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.323 0 CA-C-N 113.656 -1.611 . . . . 0.0 113.438 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.361 5.3 m-20 -49.06 -45.52 43.05 Favored 'General case' 0 N--CA 1.517 2.908 0 C-N-CA 125.606 1.562 . . . . 0.0 112.849 170.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.379 34.3 mt-10 -58.43 -40.27 82.04 Favored 'General case' 0 N--CA 1.507 2.424 0 N-CA-C 120.881 3.66 . . . . 0.0 120.881 165.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.5 mt -148.99 54.35 0.98 Allowed 'General case' 0 CA--C 1.579 2.071 0 CA-C-O 123.896 1.808 . . . . 0.0 109.861 -162.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -66.44 -40.97 89.77 Favored 'General case' 0 N--CA 1.49 1.556 1 CA-C-O 109.437 -5.078 . . . . 0.0 118.728 166.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.452 . . -41.79 -65.14 0.48 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 127.644 3.09 . . . . 0.0 117.119 172.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.0 p -59.42 -44.5 92.79 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 O-C-N 127.544 3.028 . . . . 0.0 118.561 165.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.33 -51.61 52.84 Favored 'General case' 1 N--CA 1.549 4.478 1 O-C-N 115.206 -4.684 . . . . 0.0 112.14 177.849 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -57.79 -52.21 66.42 Favored 'General case' 0 N--CA 1.506 2.343 0 CA-C-N 109.118 -3.674 . . . . 0.0 108.526 174.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.549 0.0 OUTLIER -46.79 -53.89 10.97 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-N 123.446 2.839 . . . . 0.0 116.234 174.064 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -51.48 -52.43 46.66 Favored 'General case' 0 CA--C 1.581 2.156 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 173.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.28 26.0 t-20 151.15 97.69 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.919 0 O-C-N 127.615 3.072 . . . . 0.0 102.752 157.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.495 HG21 ' HB ' ' A' ' 82' ' ' THR . 15.7 t -154.38 76.16 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.511 2.615 1 N-CA-C 99.346 -4.316 . . . . 0.0 99.346 -173.369 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.299 0.9 OUTLIER -68.62 -10.45 56.11 Favored 'General case' 0 CA--C 1.614 3.408 0 C-N-CA 126.76 2.024 . . . . 0.0 116.105 147.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.0 140.11 22.08 Favored 'General case' 1 CA--C 1.649 4.769 0 CA-C-O 127.648 3.594 . . . . 0.0 110.19 -162.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.495 ' SD ' ' HA ' ' A' ' 34' ' ' THR . 31.9 mmt -78.02 115.44 50.53 Favored Pre-proline 1 N--CA 1.593 6.725 0 O-C-N 118.575 -2.578 . . . . 0.0 111.419 164.623 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.447 35.0 Cg_endo -154.25 142.75 0.0 OUTLIER 'Cis proline' 2 C--N 1.46 6.438 2 CA-C-O 136.051 6.605 . . . . 0.0 105.273 1.263 . . . . . . . . 4 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.495 ' HB ' HG21 ' A' ' 77' ' ' VAL . 18.8 m -110.05 112.99 25.34 Favored 'General case' 2 N--CA 1.56 5.047 1 CA-C-N 102.61 -6.632 . . . . 0.0 107.385 -152.975 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.425 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 44.6 m-85 -87.81 120.24 28.94 Favored 'General case' 0 CA--C 1.563 1.472 0 C-N-CA 129.031 2.932 . . . . 0.0 112.672 163.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 30' ' ' VAL 0.476 1.7 mt -107.41 153.92 8.56 Favored 'Isoleucine or valine' 0 C--O 1.296 3.546 1 C-N-CA 132.0 4.12 . . . . 0.0 111.703 177.326 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -135.28 107.56 7.26 Favored 'General case' 0 N--CA 1.484 1.242 1 CA-C-N 108.01 -4.177 . . . . 0.0 111.845 -167.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.13 124.93 16.97 Favored 'General case' 0 N--CA 1.405 -2.707 0 N-CA-C 100.939 -3.726 . . . . 0.0 100.939 -167.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -125.94 178.31 5.82 Favored 'General case' 0 CA--C 1.577 1.981 0 CA-C-N 110.462 -3.063 . . . . 0.0 107.132 -168.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -62.86 49.01 0.01 OUTLIER 'General case' 0 CA--C 1.629 4.0 0 N-CA-C 118.121 2.637 . . . . 0.0 118.121 158.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.12 59.92 0.06 OUTLIER Glycine 0 C--N 1.289 -2.037 0 C-N-CA 128.34 2.876 . . . . 0.0 116.217 168.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.422 39.3 ttmt 56.18 -167.11 0.11 Allowed 'General case' 0 CA--C 1.602 2.973 0 N-CA-C 119.786 3.254 . . . . 0.0 119.786 -172.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 43.4 tp -56.22 101.25 0.05 Allowed 'General case' 0 N--CA 1.512 2.64 0 CA-C-O 123.612 1.673 . . . . 0.0 112.578 167.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.459 27.6 m -69.41 -51.41 42.62 Favored 'Isoleucine or valine' 0 C--N 1.393 2.484 0 N-CA-C 117.988 2.588 . . . . 0.0 117.988 167.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -152.26 162.09 41.65 Favored 'General case' 0 CA--C 1.575 1.905 0 CA-C-O 122.942 1.354 . . . . 0.0 112.974 -169.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.47 135.29 21.14 Favored 'General case' 0 CA--C 1.592 2.583 0 CA-C-N 109.6 -3.455 . . . . 0.0 111.072 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.1 m -164.67 138.33 5.04 Favored 'General case' 0 CA--C 1.585 2.31 0 C-N-CA 130.584 3.554 . . . . 0.0 107.27 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -139.42 105.48 2.4 Favored 'Isoleucine or valine' 0 C--O 1.269 2.085 1 N-CA-C 98.885 -4.487 . . . . 0.0 98.885 -162.779 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 167.94 118.61 0.45 Allowed Glycine 0 C--O 1.179 -3.325 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 166.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . 0.298 . . -60.83 115.41 3.66 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 125.293 1.437 . . . . 0.0 113.058 163.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -159.62 120.37 3.13 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 -175.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.466 46.0 pttt -45.41 -62.52 1.24 Allowed 'General case' 0 CA--C 1.587 2.394 1 N-CA-C 121.888 4.033 . . . . 0.0 121.888 176.066 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -65.38 -35.38 80.79 Favored 'General case' 0 N--CA 1.539 3.997 0 C-N-CA 126.775 2.03 . . . . 0.0 115.009 164.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -42.38 -69.21 0.62 Allowed Glycine 0 N--CA 1.496 2.637 0 N-CA-C 119.191 2.436 . . . . 0.0 119.191 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.425 HD22 ' CZ ' ' A' ' 83' ' ' PHE 0.397 41.8 tp -44.53 -66.08 0.52 Allowed Pre-proline 0 CA--C 1.599 2.864 0 O-C-N 128.464 3.097 . . . . 0.0 111.45 172.297 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -43.21 -44.25 9.99 Favored 'Trans proline' 0 C--N 1.388 2.631 0 N-CA-C 120.465 3.217 . . . . 0.0 120.465 172.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.84 -57.76 10.71 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 124.991 1.432 . . . . 0.0 112.365 167.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.27 23.8 tp -47.2 -58.8 3.67 Favored 'General case' 0 CA--C 1.482 -1.641 0 C-N-CA 129.402 3.081 . . . . 0.0 116.57 177.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.46 -56.36 12.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.429 0 CA-C-O 115.215 -2.326 . . . . 0.0 112.918 167.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -39.45 -50.83 2.14 Favored 'General case' 0 N--CA 1.504 2.26 1 N-CA-C 123.524 4.638 . . . . 0.0 123.524 169.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -55.59 -57.26 12.67 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 167.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.483 59.9 m-70 -56.48 -57.78 10.85 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 120.685 3.587 . . . . 0.0 120.685 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.86 -43.62 90.84 Favored 'General case' 0 CA--C 1.604 3.056 0 CA-C-O 115.358 -2.258 . . . . 0.0 115.673 168.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 29.7 m -47.91 -52.43 19.44 Favored 'General case' 2 N--CA 1.547 4.404 0 CA-C-N 122.731 2.514 . . . . 0.0 116.461 160.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.196 -1.723 0 C-N-CA 131.579 3.952 . . . . 0.0 108.62 174.798 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.231 0 CA-C-O 125.522 2.582 . . . . 0.0 106.423 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -151.81 112.93 4.27 Favored 'General case' 0 C--O 1.254 1.313 0 CA-C-N 112.466 -2.152 . . . . 0.0 109.042 -171.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -157.1 165.9 34.76 Favored 'General case' 0 CA--C 1.584 2.255 0 CA-C-O 122.19 0.995 . . . . 0.0 113.61 -166.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.38 164.33 50.66 Favored Glycine 0 C--N 1.367 2.294 0 CA-C-N 113.184 -1.826 . . . . 0.0 114.386 159.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -150.17 125.39 10.06 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 104.497 -2.408 . . . . 0.0 104.497 -173.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.2 t -88.98 125.39 42.04 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.43 0 C-N-CA 130.027 3.331 . . . . 0.0 114.086 164.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.41 126.97 62.0 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.937 0 C-N-CA 128.449 2.7 . . . . 0.0 111.313 -175.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.55 134.04 50.54 Favored 'General case' 0 CA--C 1.57 1.714 0 C-N-CA 128.675 2.79 . . . . 0.0 117.674 168.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.417 ' SG ' HD11 ' A' ' 61' ' ' LEU . 87.1 m -135.77 134.63 39.19 Favored 'General case' 0 N--CA 1.516 2.874 0 N-CA-C 104.677 -2.342 . . . . 0.0 104.677 -157.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -150.28 -20.91 0.24 Allowed 'General case' 0 N--CA 1.52 3.065 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -158.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.425 ' HB ' ' H ' ' A' ' 12' ' ' VAL . 74.5 p -149.62 -168.38 3.09 Favored 'General case' 0 CA--C 1.584 2.278 0 CA-C-O 124.715 2.197 . . . . 0.0 106.921 -159.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.425 ' H ' ' HB ' ' A' ' 11' ' ' THR . 5.6 p -52.08 -20.65 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.594 2.668 1 N-CA-C 121.815 4.006 . . . . 0.0 121.815 154.116 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.43 -47.08 69.96 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 172.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.463 0.6 OUTLIER -49.45 -45.45 46.64 Favored 'General case' 0 CA--C 1.595 2.686 0 N-CA-C 118.946 2.943 . . . . 0.0 118.946 159.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -46.22 -49.48 17.07 Favored 'General case' 0 C--O 1.26 1.63 0 N-CA-C 116.773 2.138 . . . . 0.0 116.773 170.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -52.01 -64.36 0.84 Allowed 'General case' 0 N--CA 1.502 2.13 0 CA-C-N 114.347 -1.297 . . . . 0.0 113.776 159.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -49.84 -64.13 0.9 Allowed 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 128.375 2.67 . . . . 0.0 117.806 -177.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -50.43 -55.89 13.85 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 116.31 1.967 . . . . 0.0 116.31 173.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -58.77 -58.43 8.62 Favored 'General case' 0 CA--C 1.602 2.953 0 N-CA-C 119.441 3.126 . . . . 0.0 119.441 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -62.26 -61.46 2.44 Favored 'General case' 0 C--O 1.271 2.215 0 C-N-CA 127.306 2.242 . . . . 0.0 114.763 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.274 31.7 mmtp -48.38 -60.0 3.02 Favored 'General case' 1 N--CA 1.542 4.142 0 CA-C-N 122.541 2.428 . . . . 0.0 113.972 168.226 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -40.46 -81.83 0.02 OUTLIER Glycine 0 C--N 1.369 2.416 0 N-CA-C 121.258 3.263 . . . . 0.0 121.258 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -79.05 100.51 7.38 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 123.825 1.774 . . . . 0.0 112.826 154.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.29 -49.24 0.48 Allowed Glycine 0 N--CA 1.505 3.285 0 CA-C-N 110.248 -3.16 . . . . 0.0 114.487 159.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.4 m -92.85 132.02 37.37 Favored 'General case' 0 N--CA 1.512 2.645 0 N-CA-C 104.779 -2.304 . . . . 0.0 104.779 172.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -64.03 76.33 0.03 OUTLIER 'General case' 0 CA--C 1.576 1.948 1 CA-C-O 130.024 4.726 . . . . 0.0 113.774 172.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -154.22 156.5 37.21 Favored 'General case' 0 N--CA 1.534 3.754 0 O-C-N 117.977 -2.952 . . . . 0.0 114.551 -178.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.272 54.3 tp -83.28 147.68 27.82 Favored 'General case' 0 CA--C 1.601 2.914 0 CA-C-O 125.809 2.718 . . . . 0.0 110.746 164.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.9 pt -146.91 133.29 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.747 0 O-C-N 117.879 -3.013 . . . . 0.0 104.998 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.9 t -141.03 129.91 24.33 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.752 0 N-CA-C 103.589 -2.745 . . . . 0.0 103.589 -168.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.281 2.5 p -139.84 112.35 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.948 0 CA-C-O 126.604 3.097 . . . . 0.0 104.673 -160.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -70.53 130.48 41.96 Favored 'General case' 0 CA--C 1.614 3.44 0 O-C-N 118.591 -2.568 . . . . 0.0 114.051 153.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -114.47 111.96 22.24 Favored 'General case' 1 C--O 1.333 5.468 1 C-N-CA 135.342 5.457 . . . . 0.0 104.745 175.571 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -160.99 145.97 14.04 Favored 'General case' 0 N--CA 1.517 2.897 0 N-CA-C 101.547 -3.501 . . . . 0.0 101.547 -166.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.257 . . -80.03 158.92 26.38 Favored 'General case' 0 C--O 1.209 -1.063 1 CA-C-N 108.253 -4.067 . . . . 0.0 108.662 165.33 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.334 22.3 t -59.85 -43.01 94.88 Favored 'General case' 0 N--CA 1.518 2.93 0 O-C-N 117.513 -3.242 . . . . 0.0 116.28 166.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 24.8 p-90 -69.47 69.73 0.26 Allowed 'General case' 0 CA--C 1.567 1.623 0 N-CA-C 117.734 2.494 . . . . 0.0 117.734 162.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 54.0 t -156.63 82.46 3.35 Favored Pre-proline 0 CA--C 1.596 2.747 0 CA-C-N 112.88 -1.964 . . . . 0.0 110.664 -175.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -51.93 -41.2 64.83 Favored 'Trans proline' 0 CA--C 1.585 3.049 0 C-N-CA 125.007 3.805 . . . . 0.0 120.635 168.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -49.86 -44.56 36.16 Favored 'Trans proline' 0 CA--C 1.554 1.504 1 C-N-CA 126.128 4.552 . . . . 0.0 119.294 161.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.412 ' SG ' ' HG2' ' A' ' 81' ' ' PRO 0.328 56.5 m -77.24 -22.39 52.28 Favored 'General case' 0 C--O 1.189 -2.113 1 N-CA-C 122.031 4.086 . . . . 0.0 122.031 163.521 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.4 tttp -58.78 -43.31 90.41 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 123.492 2.86 . . . . 0.0 114.858 159.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.318 25.0 ptt? -61.95 -37.65 85.54 Favored 'General case' 0 C--N 1.387 2.225 1 N-CA-C 121.861 4.023 . . . . 0.0 121.861 153.084 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.406 1.0 OUTLIER -60.2 -31.75 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.325 0 N-CA-C 119.5 3.148 . . . . 0.0 119.5 169.145 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.305 . . -49.15 -59.25 6.78 Favored Pre-proline 0 C--O 1.181 -2.515 0 O-C-N 125.774 1.922 . . . . 0.0 115.606 167.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.55 -40.01 73.54 Favored 'Trans proline' 0 N--CA 1.518 2.965 2 N-CA-C 124.163 4.64 . . . . 0.0 124.163 158.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.287 40.6 mm -52.04 -56.55 5.89 Favored 'Isoleucine or valine' 0 C--N 1.387 2.208 0 O-C-N 118.9 -2.375 . . . . 0.0 114.999 165.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -46.46 -44.2 17.27 Favored 'General case' 0 CA--C 1.572 1.811 0 C-N-CA 126.5 1.92 . . . . 0.0 115.879 168.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.65 -52.11 62.18 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 118.673 2.842 . . . . 0.0 118.673 165.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.349 36.5 tt0 -51.88 -60.31 3.33 Favored 'General case' 0 N--CA 1.526 3.329 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 168.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -49.2 -51.9 30.09 Favored 'General case' 0 CA--C 1.6 2.884 0 C-N-CA 126.215 1.806 . . . . 0.0 113.58 169.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.415 ' HA ' ' CE2' ' A' ' 60' ' ' PHE . . . -48.41 -48.65 37.01 Favored 'General case' 0 CA--C 1.566 1.559 0 CA-C-N 120.126 1.33 . . . . 0.0 113.361 172.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -53.66 -48.24 69.62 Favored 'General case' 0 CA--C 1.598 2.805 0 CA-C-O 116.148 -1.882 . . . . 0.0 113.664 169.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -56.47 -25.34 50.71 Favored 'General case' 0 N--CA 1.511 2.58 0 C-N-CA 129.174 2.99 . . . . 0.0 112.846 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -136.7 100.38 10.06 Favored Pre-proline 1 CA--C 1.636 4.262 0 C-N-CA 129.521 3.128 . . . . 0.0 106.562 -161.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.286 26.1 Cg_endo -81.94 -27.97 2.27 Favored 'Trans proline' 0 CA--C 1.552 1.42 2 C-N-CA 131.32 8.013 . . . . 0.0 125.385 176.571 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.442 10.1 p30 -61.89 3.64 0.15 Allowed 'General case' 1 N--CA 1.547 4.377 0 C-N-CA 127.527 2.331 . . . . 0.0 117.014 175.878 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.273 6.2 p -145.85 116.23 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 124.693 1.246 . . . . 0.0 109.497 -149.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 84.1 m -71.08 157.2 38.6 Favored 'General case' 0 CA--C 1.585 2.317 0 CA-C-O 125.807 2.717 . . . . 0.0 109.921 166.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.415 ' CE2' ' HA ' ' A' ' 52' ' ' ALA . 88.3 m-85 -144.31 136.82 26.71 Favored 'General case' 0 N--CA 1.509 2.492 0 C-N-CA 127.958 2.503 . . . . 0.0 108.476 -176.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.417 HD11 ' SG ' ' A' ' 9' ' ' CYS 0.259 0.9 OUTLIER -157.03 156.59 33.16 Favored 'General case' 0 CA--C 1.581 2.16 0 CA-C-N 111.706 -2.497 . . . . 0.0 109.726 -173.961 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.359 42.3 pttt -143.81 108.48 4.88 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 -160.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.56 125.24 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 128.143 2.577 . . . . 0.0 108.033 175.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -78.35 90.74 4.4 Favored 'General case' 0 C--O 1.257 1.45 0 CA-C-N 110.681 -2.963 . . . . 0.0 103.959 164.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -43.94 -42.17 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.6 2.902 0 N-CA-C 121.008 3.707 . . . . 0.0 121.008 168.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.68 -44.52 37.96 Favored 'General case' 1 CA--C 1.636 4.279 0 CA-C-O 122.547 1.165 . . . . 0.0 113.763 173.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.312 0.3 OUTLIER -62.15 -39.07 91.38 Favored 'General case' 0 CA--C 1.588 2.426 0 N-CA-C 118.204 2.668 . . . . 0.0 118.204 161.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.5 mt -143.03 56.83 1.4 Allowed 'General case' 1 CA--C 1.636 4.285 0 CA-C-O 125.91 2.767 . . . . 0.0 114.879 -159.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.37 33.1 pttt -68.94 -52.13 32.45 Favored 'General case' 0 C--O 1.189 -2.095 0 CA-C-N 110.044 -3.253 . . . . 0.0 116.244 172.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.277 . . -49.16 -66.72 0.35 Allowed 'General case' 0 N--CA 1.531 3.599 0 O-C-N 126.833 2.583 . . . . 0.0 117.754 175.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.625 HG22 ' HE1' ' A' ' 75' ' ' TRP . 9.9 p -60.54 -42.98 93.43 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.907 0 CA-C-O 112.553 -3.594 . . . . 0.0 118.846 163.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . 0.28 . . -40.17 -58.42 1.48 Allowed 'General case' 0 CA--C 1.577 2.001 0 CA-C-N 124.071 3.123 . . . . 0.0 114.447 162.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . 0.315 51.7 mt-10 -48.28 -52.64 20.43 Favored 'General case' 0 N--CA 1.529 3.479 0 O-C-N 127.347 2.904 . . . . 0.0 115.651 173.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.384 0.0 OUTLIER -45.47 -51.39 11.67 Favored 'General case' 0 CA--C 1.583 2.218 0 N-CA-C 120.519 3.526 . . . . 0.0 120.519 170.106 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.625 ' HE1' HG22 ' A' ' 71' ' ' VAL . 50.1 m95 -61.5 -45.75 92.89 Favored 'General case' 0 N--CA 1.531 3.588 1 O-C-N 114.481 -5.137 . . . . 0.0 112.334 168.649 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.404 10.5 t30 151.29 81.72 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.529 1 O-C-N 129.651 4.345 . . . . 0.0 104.529 148.397 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 t -143.47 74.47 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.536 3.863 0 O-C-N 118.46 -2.65 . . . . 0.0 110.299 -173.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.405 1.9 pp20? -68.47 -1.29 6.26 Favored 'General case' 0 N--CA 1.522 3.127 0 N-CA-C 120.924 3.676 . . . . 0.0 120.924 138.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.19 123.74 7.82 Favored 'General case' 0 C--N 1.41 3.209 0 O-C-N 116.307 -3.996 . . . . 0.0 113.959 -164.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.43 ' N ' ' SD ' ' A' ' 80' ' ' MET 0.368 0.0 OUTLIER -65.81 114.97 18.46 Favored Pre-proline 0 N--CA 1.528 3.434 0 CA-C-N 111.26 -2.7 . . . . 0.0 106.52 159.981 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 80' ' ' MET . 80.8 Cg_endo -159.0 147.13 0.0 OUTLIER 'Cis proline' 1 C--N 1.425 4.594 0 CA-C-O 129.522 3.884 . . . . 0.0 117.917 -1.229 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.2 m -120.92 128.45 52.78 Favored 'General case' 0 CA--C 1.587 2.386 1 CA-C-N 106.859 -4.7 . . . . 0.0 107.982 -144.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -120.88 117.11 26.52 Favored 'General case' 0 C--O 1.286 3.011 2 O-C-N 134.18 7.175 . . . . 0.0 105.572 -177.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.3 mt -129.71 141.44 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.356 0 CA-C-O 126.704 3.145 . . . . 0.0 104.997 -163.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -131.67 112.83 12.9 Favored 'General case' 0 C--O 1.262 1.713 1 CA-C-N 107.134 -4.575 . . . . 0.0 103.045 -154.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.3 125.98 15.11 Favored 'General case' 0 C--N 1.414 3.405 0 CA-C-N 110.089 -3.232 . . . . 0.0 103.088 -166.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -130.42 178.15 6.82 Favored 'General case' 0 CA--C 1.592 2.573 0 CA-C-N 110.189 -3.187 . . . . 0.0 106.878 -169.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.361 4.1 p-10 -60.53 56.3 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.794 0 O-C-N 126.762 2.538 . . . . 0.0 115.536 164.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 170.11 45.06 0.03 OUTLIER Glycine 0 CA--C 1.577 3.951 0 CA-C-O 123.111 1.395 . . . . 0.0 116.494 169.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.439 ' HG3' ' H ' ' A' ' 91' ' ' LEU 0.471 0.1 OUTLIER 68.86 -167.79 0.18 Allowed 'General case' 0 N--CA 1.53 3.532 0 C-N-CA 127.932 2.493 . . . . 0.0 114.131 -173.372 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.439 ' H ' ' HG3' ' A' ' 90' ' ' LYS 0.328 12.2 tp -51.43 107.24 0.17 Allowed 'General case' 0 N--CA 1.5 2.033 0 C-N-CA 128.682 2.793 . . . . 0.0 112.055 171.427 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.251 27.4 m -84.88 -38.64 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.954 0 C-N-CA 128.306 2.642 . . . . 0.0 115.023 167.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.96 163.92 16.06 Favored 'General case' 0 N--CA 1.505 2.317 0 CA-C-N 123.525 2.875 . . . . 0.0 115.269 -174.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -155.94 131.64 9.72 Favored 'General case' 0 N--CA 1.421 -1.907 0 C-N-CA 127.288 2.235 . . . . 0.0 110.525 -176.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . 0.303 33.4 m -140.79 149.86 42.6 Favored 'General case' 0 N--CA 1.418 -2.048 1 N-CA-C 99.538 -4.245 . . . . 0.0 99.538 -170.569 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 p -150.21 97.76 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.263 1.772 0 CA-C-N 112.907 -1.951 . . . . 0.0 106.063 -176.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -171.22 -168.1 32.42 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 105.628 -2.989 . . . . 0.0 105.628 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -161.97 105.7 1.2 Allowed 'General case' 0 N--CA 1.528 3.427 0 N-CA-C 104.718 -2.327 . . . . 0.0 104.718 -174.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -151.49 125.61 9.26 Favored 'General case' 0 CA--C 1.576 1.966 0 CA-C-N 113.646 -1.616 . . . . 0.0 108.03 -171.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.478 51.8 pttt -49.16 -60.36 2.86 Favored 'General case' 0 N--CA 1.491 1.592 1 N-CA-C 124.301 4.926 . . . . 0.0 124.301 167.664 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.89 -39.68 61.36 Favored 'General case' 0 N--CA 1.526 3.34 0 C-N-CA 127.351 2.261 . . . . 0.0 115.318 167.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -44.7 -60.08 3.98 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 121.341 3.296 . . . . 0.0 121.341 173.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.6 tp -53.72 -60.36 7.38 Favored Pre-proline 0 CA--C 1.593 2.632 0 CA-C-O 115.521 -2.181 . . . . 0.0 115.299 172.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -43.14 -37.08 6.4 Favored 'Trans proline' 1 CA--C 1.642 5.916 0 C-N-CA 124.818 3.678 . . . . 0.0 121.431 159.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 92.5 m -64.86 -58.86 5.05 Favored 'General case' 0 N--CA 1.506 2.365 0 CA-C-O 114.605 -2.617 . . . . 0.0 110.035 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.2 tp -49.41 -50.08 42.08 Favored 'General case' 0 CA--C 1.585 2.289 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 169.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.297 93.2 t -63.27 -40.3 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.01 0 C-N-CA 125.739 1.615 . . . . 0.0 111.841 177.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.24 77.94 Favored 'General case' 0 C--N 1.387 2.199 0 O-C-N 118.469 -2.644 . . . . 0.0 113.702 165.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -59.88 -41.31 91.29 Favored 'General case' 0 CA--C 1.609 3.223 0 N-CA-C 117.357 2.355 . . . . 0.0 117.357 167.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -62.38 -62.72 1.56 Allowed 'General case' 0 N--CA 1.507 2.421 0 N-CA-C 117.528 2.418 . . . . 0.0 117.528 164.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.1 -47.45 68.57 Favored 'General case' 0 N--CA 1.531 3.581 0 C-N-CA 128.476 2.711 . . . . 0.0 116.678 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.298 1.8 m -59.96 -63.8 1.17 Allowed 'General case' 0 C--N 1.351 0.631 0 N-CA-C 116.053 1.872 . . . . 0.0 116.053 156.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.563 1.472 0 C-N-CA 125.721 1.608 . . . . 0.0 115.221 -168.471 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.86 0 N-CA-C 105.26 -2.126 . . . . 0.0 105.26 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -127.4 80.8 1.98 Allowed 'General case' 0 CA--C 1.602 2.971 0 C-N-CA 128.818 2.847 . . . . 0.0 108.296 -175.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.25 16.3 pt-20 -150.09 156.07 41.0 Favored 'General case' 0 C--O 1.267 1.99 0 O-C-N 125.468 1.73 . . . . 0.0 111.019 -167.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.17 172.21 50.16 Favored Glycine 0 CA--C 1.569 3.412 0 O-C-N 120.534 -1.354 . . . . 0.0 115.096 162.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -160.43 135.14 7.58 Favored 'General case' 0 CA--C 1.569 1.698 0 CA-C-N 119.66 1.73 . . . . 0.0 107.853 -169.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.0 t -90.96 121.88 41.79 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.123 0 N-CA-C 102.364 -3.199 . . . . 0.0 102.364 176.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.296 0.3 OUTLIER -115.61 125.1 72.68 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.732 0 N-CA-C 102.171 -3.27 . . . . 0.0 102.171 -176.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.77 136.67 57.61 Favored 'General case' 0 N--CA 1.516 2.862 0 CA-C-N 109.989 -3.278 . . . . 0.0 115.007 165.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.5 m -144.06 142.04 30.42 Favored 'General case' 0 CA--C 1.597 2.777 0 C-N-CA 128.146 2.578 . . . . 0.0 112.488 -171.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -151.87 -16.27 0.19 Allowed 'General case' 0 CA--C 1.598 2.821 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 -169.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.72 -171.28 3.77 Favored 'General case' 0 N--CA 1.532 3.635 0 O-C-N 118.981 -2.324 . . . . 0.0 111.468 -160.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.33 9.8 p -53.26 -33.47 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.658 0 CA-C-N 114.03 -1.441 . . . . 0.0 112.992 164.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -44.17 -56.59 3.97 Favored 'General case' 0 CA--C 1.575 1.915 0 O-C-N 118.64 -2.537 . . . . 0.0 114.907 170.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.05 -39.88 9.86 Favored 'General case' 2 N--CA 1.559 5.01 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 162.021 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -52.71 -43.71 65.85 Favored 'General case' 0 N--CA 1.533 3.689 0 CA-C-O 118.031 -0.985 . . . . 0.0 113.567 168.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -62.11 -53.45 55.19 Favored 'General case' 0 CA--C 1.583 2.224 0 N-CA-C 117.722 2.489 . . . . 0.0 117.722 162.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.311 38.0 mt-10 -51.62 -62.66 1.49 Allowed 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 128.082 2.553 . . . . 0.0 115.67 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -52.42 -61.65 2.14 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 117.295 2.332 . . . . 0.0 117.295 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -52.61 -61.96 1.95 Allowed 'General case' 0 CA--C 1.61 3.282 0 N-CA-C 117.463 2.394 . . . . 0.0 117.463 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.325 3.7 mm-40 -62.98 -46.58 87.0 Favored 'General case' 0 CA--C 1.579 2.092 0 N-CA-C 116.388 1.995 . . . . 0.0 116.388 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.288 5.5 mmtp -50.31 -66.57 0.37 Allowed 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 115.036 -2.411 . . . . 0.0 115.063 168.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.93 -94.84 0.01 OUTLIER Glycine 0 CA--C 1.555 2.558 0 N-CA-C 119.237 2.455 . . . . 0.0 119.237 165.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.387 2.3 ttmm -62.36 88.7 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 O-C-N 119.561 -2.141 . . . . 0.0 114.04 158.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.77 -49.77 0.34 Allowed Glycine 0 CA--C 1.554 2.525 0 CA-C-O 126.456 3.253 . . . . 0.0 111.369 163.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.6 m -92.75 123.31 35.94 Favored 'General case' 0 CA--C 1.566 1.582 0 C-N-CA 128.996 2.919 . . . . 0.0 105.742 -176.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -60.54 82.23 0.01 OUTLIER 'General case' 0 N--CA 1.531 3.617 0 CA-C-O 125.259 2.457 . . . . 0.0 108.249 170.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -169.96 163.36 9.46 Favored 'General case' 0 CA--C 1.583 2.23 0 CA-C-N 112.36 -2.2 . . . . 0.0 111.078 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.7 tp -84.4 155.0 22.49 Favored 'General case' 0 CA--C 1.6 2.892 0 C-N-CA 128.81 2.844 . . . . 0.0 107.433 166.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.497 HG22 ' HB ' ' A' ' 59' ' ' THR . 1.3 pt -146.61 139.57 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.363 1 N-CA-C 98.639 -4.578 . . . . 0.0 98.639 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.426 HG12 ' CE1' ' A' ' 85' ' ' PHE . 86.3 t -146.2 125.08 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 CA-C-N 112.672 -2.058 . . . . 0.0 108.308 -169.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.61 113.32 3.69 Favored 'Isoleucine or valine' 0 C--N 1.365 1.242 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.489 -154.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -70.12 149.17 47.87 Favored 'General case' 0 CA--C 1.556 1.181 1 CA-C-O 128.95 4.214 . . . . 0.0 116.004 160.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -137.06 107.89 6.64 Favored 'General case' 0 CA--C 1.584 2.288 1 N-CA-C 97.519 -4.993 . . . . 0.0 97.519 -175.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 t -156.03 146.72 21.95 Favored 'General case' 0 CA--C 1.594 2.659 0 N-CA-C 103.547 -2.76 . . . . 0.0 103.547 -169.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.84 130.37 34.9 Favored 'General case' 0 C--O 1.277 2.546 0 CA-C-N 110.195 -3.184 . . . . 0.0 108.196 169.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 t -43.55 -46.65 7.13 Favored 'General case' 1 CA--C 1.64 4.44 0 O-C-N 128.152 3.407 . . . . 0.0 117.64 172.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.9 p-90 -61.39 75.43 0.01 OUTLIER 'General case' 0 N--CA 1.534 3.76 0 O-C-N 120.534 -1.354 . . . . 0.0 113.67 161.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 42.1 t -163.95 84.44 1.28 Allowed Pre-proline 0 N--CA 1.514 2.754 0 O-C-N 120.578 -1.326 . . . . 0.0 109.469 -176.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.38 27.2 Cg_exo -50.07 -46.53 27.81 Favored 'Trans proline' 0 CA--C 1.59 3.287 0 C-N-CA 124.785 3.657 . . . . 0.0 118.388 169.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -46.28 -53.0 6.44 Favored 'Trans proline' 0 N--CA 1.496 1.628 1 C-N-CA 126.706 4.937 . . . . 0.0 116.687 167.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 51.8 m -66.21 -22.48 66.34 Favored 'General case' 0 C--O 1.282 2.802 0 N-CA-C 117.88 2.548 . . . . 0.0 117.88 165.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.339 42.8 tttp -60.57 -40.21 90.87 Favored 'General case' 0 N--CA 1.529 3.511 0 CA-C-O 125.203 2.43 . . . . 0.0 111.489 166.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.488 13.5 ptt? -66.74 -53.6 31.64 Favored 'General case' 0 CA--C 1.614 3.441 1 O-C-N 115.871 -4.268 . . . . 0.0 116.94 159.98 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.362 1.0 OUTLIER -47.98 -33.26 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.764 0 N-CA-C 120.094 3.368 . . . . 0.0 120.094 172.406 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.33 -49.87 91.17 Favored Pre-proline 0 CA--C 1.587 2.397 0 CA-C-O 113.986 -2.911 . . . . 0.0 118.166 167.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -50.26 -42.9 45.82 Favored 'Trans proline' 0 CA--C 1.601 3.859 0 N-CA-C 121.543 3.632 . . . . 0.0 121.543 155.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.372 35.7 mm -56.1 -49.91 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.29 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 171.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.34 65.9 t80 -54.35 -41.75 69.46 Favored 'General case' 0 CA--C 1.614 3.422 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 165.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.02 -47.89 75.86 Favored 'General case' 0 N--CA 1.515 2.807 0 N-CA-C 118.777 2.88 . . . . 0.0 118.777 168.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.31 -54.16 48.72 Favored 'General case' 0 N--CA 1.53 3.531 0 N-CA-C 116.34 1.978 . . . . 0.0 116.34 161.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.301 1.7 tm? -46.43 -47.79 18.94 Favored 'General case' 1 CA--C 1.63 4.057 0 N-CA-C 118.091 2.626 . . . . 0.0 118.091 163.277 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.28 -49.78 32.4 Favored 'General case' 0 N--CA 1.508 2.46 0 CA-C-N 119.89 1.223 . . . . 0.0 114.229 167.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -56.35 -46.31 80.05 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 172.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -54.43 -36.12 63.69 Favored 'General case' 0 N--CA 1.517 2.915 0 C-N-CA 127.125 2.17 . . . . 0.0 114.862 171.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -134.69 101.36 11.84 Favored Pre-proline 0 N--CA 1.499 2.006 0 O-C-N 126.179 2.175 . . . . 0.0 110.09 -156.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -82.43 -20.85 5.63 Favored 'Trans proline' 0 CA--C 1.6 3.777 1 C-N-CA 126.263 4.642 . . . . 0.0 117.846 172.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -57.49 0.03 0.06 Allowed 'General case' 1 C--O 1.316 4.567 1 O-C-N 115.601 -4.437 . . . . 0.0 118.721 173.674 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 p -149.51 119.92 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.95 0 O-C-N 127.537 3.023 . . . . 0.0 110.742 -154.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.497 ' HB ' HG22 ' A' ' 29' ' ' ILE . 42.7 m -75.37 158.3 32.96 Favored 'General case' 0 N--CA 1.501 2.075 0 C-N-CA 128.347 2.659 . . . . 0.0 109.807 167.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -149.15 136.97 20.5 Favored 'General case' 0 C--N 1.389 2.305 0 CA-C-O 125.647 2.642 . . . . 0.0 106.933 -169.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.282 0.6 OUTLIER -153.38 154.98 35.54 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 109.655 -3.429 . . . . 0.0 111.857 -175.836 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -144.91 116.58 8.16 Favored 'General case' 0 CA--C 1.598 2.826 0 CA-C-O 127.364 3.459 . . . . 0.0 105.724 -171.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.3 t -82.46 125.19 39.86 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.833 0 CA-C-N 110.666 -2.97 . . . . 0.0 111.603 170.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.41 104.0 0.46 Allowed 'General case' 0 CA--C 1.59 2.496 0 O-C-N 125.609 1.818 . . . . 0.0 112.6 152.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.08 -47.56 66.05 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.096 0 N-CA-C 118.279 2.696 . . . . 0.0 118.279 173.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.275 23.8 m-20 -38.88 -53.38 1.72 Allowed 'General case' 1 N--CA 1.569 5.52 0 O-C-N 119.252 -2.155 . . . . 0.0 112.104 171.812 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.8 -32.61 74.24 Favored 'General case' 0 CA--C 1.607 3.164 0 C-N-CA 129.935 3.294 . . . . 0.0 112.759 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.8 mt -148.69 57.21 1.04 Allowed 'General case' 0 N--CA 1.496 1.83 2 O-C-N 115.723 -4.361 . . . . 0.0 109.802 -169.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -72.53 -45.22 60.34 Favored 'General case' 0 C--O 1.265 1.869 0 C-N-CA 130.749 3.619 . . . . 0.0 118.14 174.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.02 -52.13 66.5 Favored 'General case' 1 N--CA 1.544 4.269 0 C-N-CA 127.065 2.146 . . . . 0.0 114.019 172.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.271 7.1 p -61.12 -50.08 82.0 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.444 0 N-CA-C 121.217 3.784 . . . . 0.0 121.217 170.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.02 -51.4 24.21 Favored 'General case' 0 CA--C 1.586 2.328 0 CA-C-O 124.601 2.143 . . . . 0.0 116.135 167.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 76' ' ' ASN . 35.9 mt-10 -55.22 -50.73 68.67 Favored 'General case' 0 C--N 1.389 2.297 0 CA-C-O 114.17 -2.824 . . . . 0.0 110.313 167.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.617 3.0 pt-20 -41.67 -55.52 2.93 Favored 'General case' 0 N--CA 1.532 3.628 0 N-CA-C 121.776 3.991 . . . . 0.0 121.776 167.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -57.1 -47.85 80.07 Favored 'General case' 0 N--CA 1.522 3.135 0 N-CA-C 117.648 2.462 . . . . 0.0 117.648 166.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 73' ' ' GLU 0.298 13.1 t30 149.69 83.98 0.0 OUTLIER 'General case' 0 N--CA 1.428 -1.534 0 CA-C-O 127.089 3.328 . . . . 0.0 104.751 148.224 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.4 t -147.59 91.76 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.597 2.763 0 O-C-N 116.549 -3.844 . . . . 0.0 105.247 -168.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.12 13.6 28.66 Favored 'General case' 0 C--O 1.27 2.156 0 O-C-N 118.814 -2.429 . . . . 0.0 114.493 157.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -153.64 134.64 13.93 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-O 127.282 3.42 . . . . 0.0 111.821 -168.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.39 117.4 68.04 Favored Pre-proline 0 N--CA 1.514 2.733 1 CA-C-N 108.15 -4.114 . . . . 0.0 106.739 160.798 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.544 55.2 Cg_endo -148.77 154.71 0.0 OUTLIER 'Cis proline' 0 N--CA 1.532 3.79 1 C-N-CA 115.934 -4.611 . . . . 0.0 116.036 -8.749 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.4 m -125.27 116.07 21.36 Favored 'General case' 0 CA--C 1.548 0.867 1 CA-C-N 106.992 -4.64 . . . . 0.0 109.425 -147.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -88.02 130.96 34.82 Favored 'General case' 0 C--N 1.29 -2.004 0 CA-C-N 110.376 -3.102 . . . . 0.0 114.614 160.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 mt -125.79 139.71 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.399 0 N-CA-C 100.328 -3.953 . . . . 0.0 100.328 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.426 ' CE1' HG12 ' A' ' 30' ' ' VAL . 94.1 m-85 -135.79 118.68 16.25 Favored 'General case' 0 CA--C 1.589 2.455 0 CA-C-N 111.108 -2.769 . . . . 0.0 107.199 -164.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.25 1.1 tm? -148.26 127.38 12.88 Favored 'General case' 0 C--N 1.392 2.454 1 N-CA-C 99.166 -4.383 . . . . 0.0 99.166 -164.899 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.294 24.2 tttt -109.16 172.86 6.6 Favored 'General case' 1 N--CA 1.555 4.806 0 C-N-CA 129.839 3.256 . . . . 0.0 112.432 173.777 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -52.68 16.54 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.305 1 N-CA-C 124.691 5.071 . . . . 0.0 124.691 156.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -149.77 43.99 0.73 Allowed Glycine 0 CA--C 1.542 1.769 0 C-N-CA 128.732 3.063 . . . . 0.0 112.378 -177.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.27 -171.75 0.17 Allowed 'General case' 0 CA--C 1.608 3.211 0 C-N-CA 130.497 3.519 . . . . 0.0 111.946 -177.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 tp -56.42 105.78 0.23 Allowed 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 127.834 2.454 . . . . 0.0 116.095 170.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.288 20.7 m -71.57 -55.61 13.11 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.969 0 CA-C-N 111.37 -2.65 . . . . 0.0 112.453 171.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.62 164.48 38.12 Favored 'General case' 0 C--N 1.419 3.628 0 CA-C-O 123.258 1.504 . . . . 0.0 112.225 -164.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.428 ' C ' ' HG1' ' A' ' 95' ' ' THR . 0.1 OUTLIER -152.3 130.18 11.72 Favored 'General case' 0 CA--C 1.594 2.668 0 C-N-CA 127.281 2.232 . . . . 0.0 109.609 -175.803 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.428 ' HG1' ' C ' ' A' ' 94' ' ' LYS . 37.9 m -159.91 151.62 20.12 Favored 'General case' 0 CA--C 1.598 2.811 0 C-N-CA 126.449 1.899 . . . . 0.0 107.119 -177.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.273 1.3 p -140.73 95.44 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 N-CA-C 102.74 -3.059 . . . . 0.0 102.74 -159.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -175.23 -175.7 42.89 Favored Glycine 0 N--CA 1.508 3.464 0 CA-C-O 125.849 2.916 . . . . 0.0 109.399 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.63 120.93 12.3 Favored 'General case' 0 CA--C 1.591 2.533 0 CA-C-N 110.534 -2.833 . . . . 0.0 111.0 -176.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -173.34 130.41 0.46 Allowed 'General case' 0 CA--C 1.569 1.678 0 C-N-CA 125.367 1.467 . . . . 0.0 112.108 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.295 56.7 pttt -42.82 -56.94 2.99 Favored 'General case' 1 CA--C 1.635 4.228 0 O-C-N 126.328 2.267 . . . . 0.0 114.922 173.244 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -79.62 -40.92 28.14 Favored 'General case' 0 CA--C 1.595 2.687 1 C-N-CA 134.698 5.199 . . . . 0.0 117.667 175.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -45.71 -59.52 4.83 Favored Glycine 1 CA--C 1.594 5.024 0 O-C-N 128.505 3.628 . . . . 0.0 114.153 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.26 22.1 tp -54.21 -47.42 97.41 Favored Pre-proline 0 N--CA 1.526 3.358 0 CA-C-O 113.209 -3.281 . . . . 0.0 117.392 171.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -50.09 -39.73 50.87 Favored 'Trans proline' 0 CA--C 1.579 2.754 0 N-CA-C 122.389 3.957 . . . . 0.0 122.389 159.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.357 35.5 m -64.32 -61.53 2.18 Favored 'General case' 0 CA--C 1.569 1.687 0 C-N-CA 130.32 3.448 . . . . 0.0 111.952 175.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 20.5 tp -49.91 -48.59 51.58 Favored 'General case' 0 CA--C 1.59 2.512 0 N-CA-C 120.886 3.661 . . . . 0.0 120.886 169.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.267 97.9 t -64.99 -50.16 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.592 0 C-N-CA 127.899 2.48 . . . . 0.0 113.591 169.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.66 -63.79 0.61 Allowed 'General case' 0 N--CA 1.508 2.431 0 CA-C-N 123.002 2.637 . . . . 0.0 115.851 166.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -42.17 -49.6 4.87 Favored 'General case' 0 N--CA 1.535 3.78 0 N-CA-C 118.746 2.869 . . . . 0.0 118.746 169.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -63.91 -68.29 0.36 Allowed 'General case' 0 C--N 1.399 2.747 0 C-N-CA 126.362 1.865 . . . . 0.0 111.025 170.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -39.6 -29.6 0.06 Allowed 'General case' 0 C--O 1.198 -1.609 1 N-CA-C 125.254 5.279 . . . . 0.0 125.254 176.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.402 9.8 m -71.87 -84.44 0.03 OUTLIER 'General case' 0 N--CA 1.533 3.707 0 C-N-CA 127.689 2.396 . . . . 0.0 110.613 172.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.181 0 O-C-N 117.206 -3.433 . . . . 0.0 114.937 171.385 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.512 2.631 0 CA-C-O 127.059 3.314 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -159.14 108.61 1.92 Allowed 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 102.597 -3.112 . . . . 0.0 102.597 -175.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -163.77 162.25 23.77 Favored 'General case' 0 C--O 1.186 -2.281 0 CA-C-O 126.596 3.093 . . . . 0.0 108.894 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.3 155.71 53.14 Favored Glycine 0 N--CA 1.488 2.102 0 CA-C-N 108.433 -3.985 . . . . 0.0 110.769 167.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -151.23 134.53 16.09 Favored 'General case' 0 CA--C 1.582 2.188 0 CA-C-N 112.089 -2.055 . . . . 0.0 106.826 -170.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 t -108.12 115.06 48.17 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.435 0 C-N-CA 128.879 2.872 . . . . 0.0 103.975 175.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.329 0.2 OUTLIER -117.89 119.23 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 C-N-CA 131.47 3.908 . . . . 0.0 106.388 -173.577 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.16 130.2 37.51 Favored 'General case' 0 CA--C 1.556 1.188 0 N-CA-C 118.317 2.71 . . . . 0.0 118.317 166.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.2 m -144.36 139.34 28.41 Favored 'General case' 0 N--CA 1.514 2.748 0 O-C-N 119.457 -2.027 . . . . 0.0 112.566 -162.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -148.11 -22.65 0.35 Allowed 'General case' 0 CA--C 1.605 3.067 0 CA-C-N 113.854 -1.521 . . . . 0.0 112.637 -159.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.5 p -150.46 174.02 13.39 Favored 'General case' 0 N--CA 1.521 3.079 0 O-C-N 117.953 -2.967 . . . . 0.0 106.941 -152.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.352 10.4 p -49.34 -19.11 0.5 Allowed 'Isoleucine or valine' 1 CA--C 1.638 4.331 0 N-CA-C 117.686 2.476 . . . . 0.0 117.686 167.621 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -57.34 -44.26 84.12 Favored 'General case' 0 C--N 1.368 1.376 0 CA-C-O 114.396 -2.716 . . . . 0.0 111.866 166.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.402 0.6 OUTLIER -53.24 -41.56 65.57 Favored 'General case' 0 CA--C 1.611 3.297 0 CA-C-N 123.326 2.785 . . . . 0.0 117.497 161.551 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -54.39 -36.52 64.02 Favored 'General case' 0 CA--C 1.581 2.162 0 O-C-N 126.891 2.619 . . . . 0.0 115.818 166.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.251 48.9 mtmt -56.63 -62.47 1.71 Allowed 'General case' 0 C--O 1.269 2.123 0 CA-C-N 120.164 1.347 . . . . 0.0 113.716 162.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -48.2 -61.8 1.8 Allowed 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 119.259 3.059 . . . . 0.0 119.259 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -55.26 -59.86 4.19 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 125.761 1.624 . . . . 0.0 113.547 175.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.317 56.4 t80 -56.69 -55.04 39.11 Favored 'General case' 0 CA--C 1.582 2.207 0 CA-C-O 114.115 -2.85 . . . . 0.0 117.402 175.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.315 3.9 mm-40 -48.93 -57.65 6.12 Favored 'General case' 0 N--CA 1.513 2.682 0 N-CA-C 118.501 2.778 . . . . 0.0 118.501 167.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -56.09 -58.94 5.8 Favored 'General case' 0 CA--C 1.577 2.006 0 CA-C-N 121.892 2.133 . . . . 0.0 113.695 172.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.49 -82.19 0.04 OUTLIER Glycine 0 C--O 1.196 -2.241 0 C-N-CA 126.256 1.884 . . . . 0.0 115.883 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -90.17 89.05 7.49 Favored 'General case' 0 CA--C 1.605 3.074 0 C-N-CA 131.048 3.739 . . . . 0.0 109.166 165.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.41 -30.51 0.18 Allowed Glycine 1 CA--C 1.612 6.142 0 CA-C-N 111.559 -2.564 . . . . 0.0 111.023 166.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.33 70.0 m -120.62 131.49 54.64 Favored 'General case' 0 CA--C 1.589 2.452 0 C-N-CA 129.66 3.184 . . . . 0.0 107.596 -173.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.49 77.01 0.02 OUTLIER 'General case' 0 CA--C 1.597 2.763 0 CA-C-O 123.387 1.565 . . . . 0.0 111.915 166.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -160.65 161.96 32.56 Favored 'General case' 0 CA--C 1.607 3.138 0 CA-C-N 112.873 -1.967 . . . . 0.0 108.976 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.263 23.6 tp -87.81 149.11 24.36 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 110.766 -2.925 . . . . 0.0 115.212 162.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.331 0.6 OUTLIER -142.71 120.54 7.21 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.639 0 C-N-CA 131.243 3.817 . . . . 0.0 108.372 -177.235 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.1 t -128.02 120.36 53.5 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.153 0 CA-C-O 126.859 3.218 . . . . 0.0 105.636 -169.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.9 p -143.2 109.98 1.61 Allowed 'Isoleucine or valine' 1 CA--C 1.658 5.104 0 CA-C-N 111.214 -2.721 . . . . 0.0 109.133 -156.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -71.65 144.52 49.37 Favored 'General case' 0 CA--C 1.593 2.62 0 CA-C-N 112.217 -2.265 . . . . 0.0 114.827 168.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -137.14 100.29 4.23 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 102.404 -3.184 . . . . 0.0 102.404 -175.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.4 t -145.0 148.35 33.66 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 100.887 -3.746 . . . . 0.0 100.887 -165.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.338 . . -76.52 123.28 25.82 Favored 'General case' 0 CA--C 1.625 3.86 0 CA-C-N 112.121 -2.309 . . . . 0.0 108.714 153.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 t -34.87 -52.63 0.54 Allowed 'General case' 0 C--O 1.278 2.595 0 N-CA-C 119.311 3.078 . . . . 0.0 119.311 173.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.7 p-90 -56.43 88.53 0.01 OUTLIER 'General case' 1 N--CA 1.542 4.126 0 C-N-CA 129.035 2.934 . . . . 0.0 115.197 160.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.4 t -165.5 105.49 0.75 Allowed Pre-proline 0 N--CA 1.514 2.729 0 CA-C-O 116.039 -1.934 . . . . 0.0 106.32 -177.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.268 23.2 Cg_exo -57.36 -41.07 76.65 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 125.207 3.938 . . . . 0.0 117.815 161.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.407 33.8 Cg_exo -49.9 -54.65 5.11 Favored 'Trans proline' 0 C--N 1.412 3.882 1 C-N-CA 127.056 5.171 . . . . 0.0 116.312 164.922 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.405 ' SG ' ' HG3' ' A' ' 81' ' ' PRO 0.354 59.1 m -68.22 -16.52 64.01 Favored 'General case' 0 CA--C 1.563 1.473 0 N-CA-C 117.31 2.337 . . . . 0.0 117.31 165.727 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.394 33.6 tttp -58.57 -60.22 4.15 Favored 'General case' 0 N--CA 1.529 3.508 0 CA-C-N 122.493 2.406 . . . . 0.0 114.078 158.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.315 12.2 ptt? -47.73 -52.71 17.49 Favored 'General case' 0 C--N 1.406 3.047 1 O-C-N 115.909 -4.244 . . . . 0.0 119.02 163.431 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.404 ' HA ' ' HB ' ' A' ' 47' ' ' ILE 0.417 0.8 OUTLIER -48.1 -31.61 3.08 Favored 'Isoleucine or valine' 1 N--CA 1.555 4.806 0 N-CA-C 117.313 2.338 . . . . 0.0 117.313 164.717 . . . . . . . . 5 4 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.396 . . -53.3 -67.34 0.6 Allowed Pre-proline 0 CA--C 1.615 3.466 0 CA-C-N 122.934 2.606 . . . . 0.0 114.042 173.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -50.88 -42.48 51.57 Favored 'Trans proline' 1 CA--C 1.634 5.509 0 CA-C-O 113.423 -2.824 . . . . 0.0 118.644 160.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.404 ' HB ' ' HA ' ' A' ' 44' ' ' ILE 0.405 28.3 mm -51.51 -53.15 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 CA-C-N 122.089 2.222 . . . . 0.0 114.332 171.604 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -33.86 68.98 Favored 'General case' 0 N--CA 1.524 3.235 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 170.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.306 . . -76.31 -36.15 58.45 Favored 'General case' 0 N--CA 1.418 -2.033 1 N-CA-C 123.094 4.479 . . . . 0.0 123.094 169.023 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.79 -63.02 1.44 Allowed 'General case' 0 CA--C 1.578 2.044 0 C-N-CA 126.444 1.898 . . . . 0.0 110.179 162.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.6 -48.43 14.56 Favored 'General case' 0 CA--C 1.596 2.725 0 C-N-CA 128.199 2.6 . . . . 0.0 111.497 172.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.08 -46.98 72.18 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 119.163 3.023 . . . . 0.0 119.163 168.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -56.85 -35.02 68.38 Favored 'General case' 0 N--CA 1.515 2.777 0 O-C-N 125.919 2.012 . . . . 0.0 115.778 167.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.271 29.9 ttmt -63.1 -29.95 71.21 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 119.878 3.288 . . . . 0.0 119.878 171.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -131.17 96.8 21.09 Favored Pre-proline 0 CA--C 1.574 1.871 0 C-N-CA 129.537 3.135 . . . . 0.0 114.877 -158.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.353 12.8 Cg_endo -67.67 -39.23 12.27 Favored 'Trans proline' 0 CA--C 1.599 3.761 2 C-N-CA 130.494 7.463 . . . . 0.0 126.03 174.231 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.415 10.6 p30 -62.66 -6.01 3.19 Favored 'General case' 0 CA--C 1.609 3.235 0 C-N-CA 129.352 3.061 . . . . 0.0 118.104 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.254 2.5 p -144.49 112.15 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.617 3.536 0 N-CA-C 101.998 -3.334 . . . . 0.0 101.998 -153.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.5 m -72.59 148.92 44.43 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 113.014 -1.903 . . . . 0.0 115.065 158.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -140.26 137.58 34.35 Favored 'General case' 0 CA--C 1.6 2.867 0 CA-C-O 127.709 3.623 . . . . 0.0 108.731 -171.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.341 0.7 OUTLIER -154.8 156.7 36.73 Favored 'General case' 0 CA--C 1.565 1.555 0 CA-C-N 110.94 -2.845 . . . . 0.0 110.583 -174.161 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -147.47 105.7 3.76 Favored 'General case' 0 CA--C 1.607 3.139 0 CA-C-O 128.393 3.949 . . . . 0.0 105.887 -161.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.2 t -91.69 119.05 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.561 0 CA-C-N 111.138 -2.756 . . . . 0.0 108.432 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -62.12 103.73 0.4 Allowed 'General case' 0 CA--C 1.557 1.212 0 CA-C-O 126.855 3.217 . . . . 0.0 113.087 152.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 p -52.62 -42.31 40.18 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.283 0 N-CA-C 119.579 3.177 . . . . 0.0 119.579 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.346 8.6 m-20 -39.91 -49.87 2.45 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 117.411 2.375 . . . . 0.0 117.411 174.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -73.88 -14.78 61.13 Favored 'General case' 0 CA--C 1.591 2.528 0 N-CA-C 119.384 3.105 . . . . 0.0 119.384 167.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.7 mt -154.64 50.39 0.61 Allowed 'General case' 0 CA--C 1.581 2.165 0 CA-C-O 125.46 2.552 . . . . 0.0 116.57 -166.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.348 56.9 pttt -73.55 -39.05 65.01 Favored 'General case' 0 C--N 1.296 -1.732 1 C-N-CA 131.886 4.074 . . . . 0.0 114.927 174.483 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.48 -54.43 45.89 Favored 'General case' 0 CA--C 1.568 1.654 0 O-C-N 120.654 -1.279 . . . . 0.0 112.809 174.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.572 HG22 ' HE1' ' A' ' 75' ' ' TRP 0.298 11.1 p -58.32 -53.42 46.46 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.238 0 C-N-CA 127.271 2.228 . . . . 0.0 115.895 169.287 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.47 -54.27 7.68 Favored 'General case' 0 C--N 1.403 2.928 0 N-CA-C 120.428 3.492 . . . . 0.0 120.428 168.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -58.05 -47.92 81.66 Favored 'General case' 0 CA--C 1.597 2.762 1 CA-C-O 111.422 -4.132 . . . . 0.0 108.001 173.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.63 0.9 OUTLIER -46.11 -53.93 9.47 Favored 'General case' 0 C--N 1.42 3.636 0 N-CA-C 118.392 2.738 . . . . 0.0 118.392 171.012 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.572 ' HE1' HG22 ' A' ' 71' ' ' VAL 0.322 11.1 m95 -56.33 -46.99 79.66 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 119.723 3.231 . . . . 0.0 119.723 170.002 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 143.06 93.81 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.92 0 C-N-CA 128.131 2.572 . . . . 0.0 106.031 150.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.6 t -144.56 76.26 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.46 0 CA-C-N 110.937 -2.847 . . . . 0.0 114.53 -173.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -63.47 -29.64 70.89 Favored 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 116.76 2.133 . . . . 0.0 116.76 152.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -133.19 134.01 43.52 Favored 'General case' 0 N--CA 1.533 3.68 0 C-N-CA 130.523 3.529 . . . . 0.0 108.137 -153.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . 0.302 0.1 OUTLIER -80.04 129.68 69.27 Favored Pre-proline 0 C--N 1.398 2.682 0 C-N-CA 127.91 2.484 . . . . 0.0 107.825 163.344 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.405 ' HG3' ' SG ' ' A' ' 41' ' ' CYS 0.252 62.1 Cg_endo -143.6 141.65 0.0 OUTLIER 'Cis proline' 0 N--CA 1.519 3.02 1 CA-C-O 134.067 5.778 . . . . 0.0 116.958 -12.512 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -118.31 122.32 42.61 Favored 'General case' 0 C--N 1.271 -2.814 1 CA-C-N 104.032 -5.985 . . . . 0.0 112.275 -148.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -95.37 137.85 33.86 Favored 'General case' 0 CA--C 1.592 2.578 1 C-N-CA 134.192 4.997 . . . . 0.0 107.331 173.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 mp -131.7 128.1 59.88 Favored 'Isoleucine or valine' 0 C--O 1.302 3.854 1 CA-C-O 129.142 4.306 . . . . 0.0 106.849 -174.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -102.77 114.54 28.87 Favored 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 130.159 3.383 . . . . 0.0 105.33 -176.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.259 0.2 OUTLIER -139.08 124.95 19.75 Favored 'General case' 0 CA--C 1.609 3.214 1 N-CA-C 99.855 -4.128 . . . . 0.0 99.855 -168.561 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -125.45 171.66 10.3 Favored 'General case' 0 C--N 1.272 -2.78 0 C-N-CA 128.317 2.647 . . . . 0.0 109.016 -169.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -57.47 52.62 0.0 OUTLIER 'General case' 0 CA--C 1.602 2.944 0 O-C-N 116.86 -3.65 . . . . 0.0 116.493 145.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -177.06 41.51 0.1 OUTLIER Glycine 0 CA--C 1.57 3.497 0 CA-C-N 114.374 -1.285 . . . . 0.0 111.371 174.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.295 26.1 mtmt 56.74 -167.71 0.11 Allowed 'General case' 0 C--O 1.266 1.97 0 C-N-CA 128.718 2.807 . . . . 0.0 111.951 -175.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.6 tp -58.06 100.35 0.06 Allowed 'General case' 0 CA--C 1.58 2.11 0 CA-C-O 125.094 2.378 . . . . 0.0 111.641 171.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.8 m -76.71 -33.72 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.567 0 N-CA-C 120.291 3.441 . . . . 0.0 120.291 167.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.94 165.96 15.68 Favored 'General case' 0 C--N 1.409 3.19 0 CA-C-N 125.909 3.959 . . . . 0.0 113.054 -172.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -160.81 129.88 4.77 Favored 'General case' 0 C--N 1.381 1.959 0 CA-C-O 122.819 1.295 . . . . 0.0 112.36 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.5 m -149.59 140.45 22.78 Favored 'General case' 0 CA--C 1.591 2.557 0 CA-C-O 124.798 2.237 . . . . 0.0 107.631 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.262 0.2 OUTLIER -138.05 106.27 3.7 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.081 1 CA-C-N 107.204 -4.544 . . . . 0.0 104.421 -163.69 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 174.57 -148.88 10.08 Favored Glycine 0 N--CA 1.503 3.101 0 N-CA-C 105.08 -3.208 . . . . 0.0 105.08 169.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -166.57 101.83 0.59 Allowed 'General case' 0 CA--C 1.616 3.513 0 CA-C-N 110.943 -2.629 . . . . 0.0 108.956 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -146.87 118.82 8.16 Favored 'General case' 0 CA--C 1.573 1.854 0 N-CA-C 101.517 -3.512 . . . . 0.0 101.517 -174.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -46.21 -39.51 9.89 Favored 'General case' 0 N--CA 1.517 2.896 0 N-CA-C 118.463 2.764 . . . . 0.0 118.463 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.271 2.6 p30 -83.09 -46.65 12.54 Favored 'General case' 0 N--CA 1.52 3.047 0 C-N-CA 129.676 3.19 . . . . 0.0 115.024 171.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -44.1 -50.14 7.74 Favored Glycine 1 CA--C 1.579 4.068 0 N-CA-C 120.84 3.096 . . . . 0.0 120.84 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.4 tp -72.23 -60.54 2.19 Favored Pre-proline 0 CA--C 1.58 2.132 0 C-N-CA 130.146 3.378 . . . . 0.0 108.622 -176.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -44.18 -42.31 13.1 Favored 'Trans proline' 0 CA--C 1.562 1.887 0 CA-C-N 125.398 2.963 . . . . 0.0 118.983 166.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 21.3 m -60.24 -61.74 2.38 Favored 'General case' 0 CA--C 1.614 3.427 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 170.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 56.7 tp -42.13 -59.23 1.84 Allowed 'General case' 1 N--CA 1.544 4.275 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 170.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.1 t -55.33 -47.68 77.68 Favored 'Isoleucine or valine' 0 C--O 1.262 1.722 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 173.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.68 -47.02 20.44 Favored 'General case' 0 CA--C 1.569 1.689 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 168.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . 0.259 67.3 mttt -58.09 -45.27 87.46 Favored 'General case' 1 CA--C 1.631 4.087 0 O-C-N 119.563 -1.961 . . . . 0.0 115.004 172.448 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -70.02 -54.75 11.8 Favored 'General case' 0 N--CA 1.514 2.768 0 N-CA-C 120.022 3.342 . . . . 0.0 120.022 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.81 -52.16 66.89 Favored 'General case' 0 N--CA 1.498 1.929 1 N-CA-C 122.626 4.306 . . . . 0.0 122.626 168.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.29 3.4 m -65.73 -29.53 70.07 Favored 'General case' 0 CA--C 1.625 3.853 0 C-N-CA 125.268 1.427 . . . . 0.0 114.627 173.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 126.396 2.998 . . . . 0.0 116.007 157.005 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.583 2.215 0 CA-C-O 121.788 0.804 . . . . 0.0 108.868 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -151.5 111.46 4.07 Favored 'General case' 0 CA--C 1.579 2.084 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 -164.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -159.17 164.95 34.72 Favored 'General case' 0 CA--C 1.595 2.694 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -171.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.8 -179.71 5.98 Favored Glycine 1 CA--C 1.449 -4.088 0 CA-C-O 119.102 -0.832 . . . . 0.0 113.243 158.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -161.48 138.0 8.32 Favored 'General case' 0 CA--C 1.591 2.528 0 N-CA-C 104.059 -2.571 . . . . 0.0 104.059 -176.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.1 t -97.98 117.36 42.67 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.565 0 C-N-CA 131.68 3.992 . . . . 0.0 109.156 174.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -136.15 112.23 12.49 Favored 'Isoleucine or valine' 1 CA--C 1.637 4.315 0 C-N-CA 126.104 1.762 . . . . 0.0 107.358 -164.679 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.02 144.28 34.86 Favored 'General case' 0 N--CA 1.405 -2.715 0 CA-C-N 112.557 -2.111 . . . . 0.0 116.38 169.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.0 m -145.07 134.85 23.54 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 111.41 -2.632 . . . . 0.0 111.849 -166.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -150.13 -11.98 0.26 Allowed 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 113.402 -3.19 . . . . 0.0 115.833 -162.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.2 p -158.05 -172.74 4.03 Favored 'General case' 0 CA--C 1.59 2.492 0 CA-C-N 122.86 2.573 . . . . 0.0 106.556 -162.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.7 p -59.15 -15.91 8.22 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.582 0 O-C-N 117.833 -3.042 . . . . 0.0 118.398 165.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.411 ' HD2' ' HE2' ' A' ' 16' ' ' LYS . 56.8 m-20 -50.97 -44.95 60.71 Favored 'General case' 0 CA--C 1.59 2.514 1 N-CA-C 122.018 4.081 . . . . 0.0 122.018 155.798 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.412 3.6 t -56.81 -33.83 67.1 Favored 'General case' 0 CA--C 1.613 3.401 0 N-CA-C 119.943 3.312 . . . . 0.0 119.943 158.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 28.5 m95 -54.03 -42.32 69.01 Favored 'General case' 0 CA--C 1.608 3.194 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 161.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HE2' ' HD2' ' A' ' 13' ' ' ASP . 36.5 mtmt -52.59 -56.02 18.27 Favored 'General case' 0 N--CA 1.523 3.191 0 C-N-CA 127.028 2.131 . . . . 0.0 112.347 162.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -57.57 -70.34 0.13 Allowed 'General case' 0 CA--C 1.574 1.889 1 N-CA-C 122.887 4.403 . . . . 0.0 122.887 170.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -51.86 -58.22 7.08 Favored 'General case' 0 N--CA 1.5 2.056 0 CA-C-O 125.417 2.532 . . . . 0.0 116.26 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -56.04 -57.42 12.2 Favored 'General case' 0 N--CA 1.482 1.132 1 N-CA-C 124.981 5.178 . . . . 0.0 124.981 171.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.347 1.7 mm-40 -63.55 -50.81 68.03 Favored 'General case' 0 CA--C 1.588 2.425 0 C-N-CA 129.757 3.223 . . . . 0.0 117.478 176.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.304 33.9 mmtp -51.6 -65.94 0.47 Allowed 'General case' 0 CA--C 1.592 2.592 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 155.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.0 -92.56 0.01 OUTLIER Glycine 0 N--CA 1.512 3.751 0 N-CA-C 117.479 1.751 . . . . 0.0 117.479 175.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -65.73 96.5 0.28 Allowed 'General case' 0 CA--C 1.61 3.287 0 CA-C-N 123.013 3.407 . . . . 0.0 108.069 156.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.96 -63.72 0.3 Allowed Glycine 0 CA--C 1.575 3.811 0 CA-C-N 110.506 -3.043 . . . . 0.0 112.371 162.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.5 m -85.51 124.13 31.73 Favored 'General case' 0 C--N 1.287 -2.148 1 CA-C-N 106.105 -5.047 . . . . 0.0 105.082 -176.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -67.86 78.09 0.21 Allowed 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 112.343 -2.208 . . . . 0.0 116.664 173.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -151.44 177.62 10.11 Favored 'General case' 0 C--N 1.382 1.982 0 C-N-CA 129.704 3.202 . . . . 0.0 108.322 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.0 tp -108.17 153.51 23.07 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 129.74 3.216 . . . . 0.0 106.316 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.365 2.8 pt -146.5 135.55 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.843 0 C-N-CA 129.346 3.058 . . . . 0.0 104.037 -176.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.5 t -140.69 129.57 25.3 Favored 'Isoleucine or valine' 0 C--O 1.266 1.957 1 N-CA-C 100.163 -4.014 . . . . 0.0 100.163 -168.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.383 7.1 p -144.35 115.59 2.3 Favored 'Isoleucine or valine' 1 N--CA 1.567 5.4 0 O-C-N 118.622 -2.549 . . . . 0.0 109.155 -154.857 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -76.79 141.81 40.59 Favored 'General case' 0 CA--C 1.581 2.143 0 CA-C-N 112.677 -2.056 . . . . 0.0 111.069 163.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -137.4 105.59 5.72 Favored 'General case' 0 CA--C 1.578 2.042 1 C-N-CA 132.306 4.242 . . . . 0.0 100.806 175.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.9 t -149.31 153.22 37.16 Favored 'General case' 0 C--N 1.283 -2.314 1 O-C-N 130.106 4.629 . . . . 0.0 103.416 -168.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.293 . . -77.81 139.08 39.28 Favored 'General case' 0 C--O 1.29 3.2 0 C-N-CA 127.714 2.405 . . . . 0.0 110.398 159.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.9 t -51.42 -38.85 55.68 Favored 'General case' 0 N--CA 1.525 3.281 0 CA-C-O 128.375 3.94 . . . . 0.0 118.851 169.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -72.85 84.25 1.22 Allowed 'General case' 0 C--N 1.279 -2.473 0 CA-C-N 110.28 -3.146 . . . . 0.0 115.978 170.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 41.9 t -166.04 92.62 0.82 Allowed Pre-proline 1 N--CA 1.543 4.206 0 CA-C-O 116.18 -1.867 . . . . 0.0 108.89 -173.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.34 33.1 Cg_exo -47.28 -45.32 22.46 Favored 'Trans proline' 0 N--CA 1.523 3.259 0 N-CA-C 118.065 2.294 . . . . 0.0 118.065 164.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -46.42 -56.99 2.5 Favored 'Trans proline' 0 CA--C 1.573 2.461 0 N-CA-C 118.255 2.367 . . . . 0.0 118.255 162.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.428 4.8 m -64.02 -23.97 67.54 Favored 'General case' 0 CA--C 1.574 1.869 0 N-CA-C 119.675 3.213 . . . . 0.0 119.675 170.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -57.57 -42.08 82.34 Favored 'General case' 0 N--CA 1.524 3.23 0 N-CA-C 117.471 2.397 . . . . 0.0 117.471 162.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.445 17.0 ptt? -63.83 -52.08 61.8 Favored 'General case' 0 CA--C 1.617 3.531 0 N-CA-C 119.355 3.094 . . . . 0.0 119.355 156.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.521 1.1 tp -43.66 -40.38 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.385 2.117 1 N-CA-C 121.812 4.005 . . . . 0.0 121.812 169.434 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.67 -62.88 3.81 Favored Pre-proline 0 C--O 1.265 1.889 1 CA-C-O 109.665 -4.969 . . . . 0.0 109.807 170.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -46.27 -39.95 21.63 Favored 'Trans proline' 0 CA--C 1.572 2.383 2 C-N-CA 127.772 5.648 . . . . 0.0 116.31 167.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.329 50.4 mm -55.37 -60.3 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 CA-C-N 122.518 2.417 . . . . 0.0 114.589 168.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -53.79 -36.27 62.25 Favored 'General case' 0 CA--C 1.623 3.766 0 C-N-CA 128.387 2.675 . . . . 0.0 110.762 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.68 -57.73 9.99 Favored 'General case' 0 C--N 1.368 1.384 0 N-CA-C 118.878 2.918 . . . . 0.0 118.878 162.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.66 -48.35 63.43 Favored 'General case' 0 C--O 1.261 1.688 0 O-C-N 117.909 -2.994 . . . . 0.0 117.347 168.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.92 -35.64 58.65 Favored 'General case' 0 CA--C 1.57 1.721 0 N-CA-C 117.362 2.356 . . . . 0.0 117.362 163.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . 0.272 . . -63.51 -47.82 80.12 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 126.859 2.063 . . . . 0.0 116.427 166.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -51.96 -34.49 42.37 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 117.762 2.504 . . . . 0.0 117.762 162.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.428 31.7 ttmt -64.97 -36.21 83.67 Favored 'General case' 0 C--N 1.392 2.437 0 N-CA-C 119.259 3.059 . . . . 0.0 119.259 169.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -130.99 89.8 41.42 Favored Pre-proline 0 CA--C 1.626 3.881 0 C-N-CA 130.095 3.358 . . . . 0.0 110.946 -154.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.385 63.0 Cg_endo -62.44 -34.66 75.63 Favored 'Trans proline' 1 CA--C 1.613 4.458 2 C-N-CA 130.91 7.74 . . . . 0.0 122.867 167.706 . . . . . . . . 4 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.418 HD22 ' HB1' ' A' ' 111' ' ' ALA 0.403 4.8 p30 -61.56 -11.7 12.32 Favored 'General case' 0 C--O 1.268 2.03 0 N-CA-C 121.37 3.841 . . . . 0.0 121.37 176.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.278 6.5 p -139.74 107.24 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 -145.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.8 m -65.57 157.61 29.31 Favored 'General case' 0 CA--C 1.584 2.28 0 N-CA-C 114.598 1.332 . . . . 0.0 114.598 161.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -149.58 126.96 11.46 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 108.855 -3.793 . . . . 0.0 106.679 -169.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.445 0.4 OUTLIER -143.01 147.58 35.35 Favored 'General case' 0 CA--C 1.609 3.223 0 CA-C-N 111.466 -2.606 . . . . 0.0 107.803 -168.349 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.455 33.3 pttt -139.07 108.53 6.15 Favored 'General case' 0 CA--C 1.622 3.746 0 N-CA-C 103.471 -2.789 . . . . 0.0 103.471 -170.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.5 t -89.63 127.38 42.3 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.35 0 CA-C-N 110.202 -3.181 . . . . 0.0 107.396 172.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -75.61 115.08 14.91 Favored 'General case' 0 C--N 1.39 2.343 0 CA-C-N 110.87 -2.877 . . . . 0.0 107.911 157.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.273 0.4 OUTLIER -53.93 -44.07 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 118.085 2.624 . . . . 0.0 118.085 163.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -50.96 -41.06 59.0 Favored 'General case' 1 N--CA 1.543 4.194 0 O-C-N 126.962 2.664 . . . . 0.0 115.557 171.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -47.59 80.47 Favored 'General case' 0 N--CA 1.514 2.746 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 155.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.4 mt -144.16 63.52 1.33 Allowed 'General case' 0 CA--C 1.605 3.094 1 CA-C-O 131.211 5.291 . . . . 0.0 111.984 -162.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.297 54.1 pttt -66.33 -47.51 73.26 Favored 'General case' 0 CA--C 1.573 1.854 0 CA-C-N 109.346 -3.57 . . . . 0.0 118.914 169.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.18 -60.05 3.92 Favored 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 118.565 2.802 . . . . 0.0 118.565 172.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.391 8.7 p -57.58 -50.25 77.87 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.741 0 CA-C-O 116.877 -1.535 . . . . 0.0 114.318 169.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.5 -48.15 38.24 Favored 'General case' 0 N--CA 1.506 2.332 0 CA-C-N 125.346 3.703 . . . . 0.0 118.403 172.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -52.05 -51.05 60.07 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-N 112.703 -2.044 . . . . 0.0 112.251 169.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.513 0.0 OUTLIER -48.19 -55.6 10.0 Favored 'General case' 0 N--CA 1.519 3.02 0 N-CA-C 119.057 2.984 . . . . 0.0 119.057 173.449 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -55.31 -50.36 69.78 Favored 'General case' 0 N--CA 1.514 2.735 0 O-C-N 126.8 2.562 . . . . 0.0 110.181 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.465 11.3 t30 150.86 88.42 0.0 OUTLIER 'General case' 0 C--O 1.263 1.808 0 C-N-CA 127.287 2.235 . . . . 0.0 107.318 154.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.3 t -147.9 83.72 0.11 Allowed 'Isoleucine or valine' 1 CA--C 1.648 4.75 1 N-CA-C 99.646 -4.205 . . . . 0.0 99.646 -166.332 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -81.67 7.44 12.36 Favored 'General case' 0 N--CA 1.424 -1.755 0 N-CA-C 119.808 3.262 . . . . 0.0 119.808 152.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -162.96 131.96 4.08 Favored 'General case' 1 CA--C 1.677 5.854 0 O-C-N 117.109 -3.494 . . . . 0.0 114.962 -171.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -75.06 112.87 20.05 Favored Pre-proline 0 CA--C 1.614 3.415 0 CA-C-O 112.591 -3.576 . . . . 0.0 112.682 165.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.378 96.1 Cg_endo -150.55 144.47 0.0 OUTLIER 'Cis proline' 0 C--N 1.396 3.03 0 N-CA-C 121.938 3.784 . . . . 0.0 121.938 -4.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.9 m -115.94 135.97 53.48 Favored 'General case' 0 N--CA 1.53 3.533 1 CA-C-N 107.62 -4.355 . . . . 0.0 107.198 -147.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -120.75 117.07 26.5 Favored 'General case' 0 N--CA 1.489 1.476 1 CA-C-N 106.424 -4.898 . . . . 0.0 101.733 -169.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.304 14.5 mt -126.75 135.54 63.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 2 CA-C-O 129.762 4.601 . . . . 0.0 106.11 -165.683 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -122.69 108.66 13.32 Favored 'General case' 0 CA--C 1.574 1.875 0 CA-C-N 109.736 -3.393 . . . . 0.0 105.87 -163.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.87 132.37 34.47 Favored 'General case' 0 N--CA 1.422 -1.826 0 CA-C-O 128.382 3.944 . . . . 0.0 104.78 -170.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' A' ' 89' ' ' GLY . 38.7 tttt -134.29 174.29 10.68 Favored 'General case' 0 CA--C 1.577 1.993 0 CA-C-N 111.142 -2.754 . . . . 0.0 111.319 -168.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.339 4.1 p-10 -57.97 44.94 0.0 OUTLIER 'General case' 0 CA--C 1.58 2.109 0 N-CA-C 120.556 3.539 . . . . 0.0 120.556 151.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 87' ' ' LYS . . . -176.69 51.16 0.11 Allowed Glycine 1 CA--C 1.593 4.962 0 C-N-CA 126.389 1.947 . . . . 0.0 110.129 175.511 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.272 18.9 mtmt 49.87 -157.11 0.09 Allowed 'General case' 0 C--N 1.426 3.921 0 C-N-CA 129.537 3.135 . . . . 0.0 113.543 -176.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.3 tp -60.65 105.49 0.45 Allowed 'General case' 0 CA--C 1.613 3.399 0 O-C-N 118.121 -2.862 . . . . 0.0 108.674 172.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.383 35.3 m -76.31 -43.38 36.72 Favored 'Isoleucine or valine' 0 C--O 1.275 2.443 0 CA-C-O 113.726 -3.035 . . . . 0.0 117.155 165.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -170.82 169.69 6.78 Favored 'General case' 0 C--O 1.271 2.195 0 CA-C-N 122.228 2.285 . . . . 0.0 112.515 -176.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -158.75 139.89 13.06 Favored 'General case' 0 CA--C 1.617 3.528 0 CA-C-O 125.375 2.512 . . . . 0.0 108.559 -176.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.4 m -154.39 152.78 30.6 Favored 'General case' 0 CA--C 1.576 1.973 1 CA-C-N 107.498 -4.41 . . . . 0.0 105.618 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.65 102.8 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.468 0 O-C-N 126.256 2.223 . . . . 0.0 110.906 -165.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -168.3 -141.26 3.14 Favored Glycine 0 C--O 1.288 3.502 0 C-N-CA 117.196 -2.43 . . . . 0.0 111.818 -174.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 177.45 114.55 0.03 OUTLIER 'General case' 0 N--CA 1.524 3.273 0 N-CA-C 100.322 -3.955 . . . . 0.0 100.322 169.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . 0.267 5.8 t0 -161.18 130.55 4.73 Favored 'General case' 0 N--CA 1.522 3.155 0 N-CA-C 102.74 -3.059 . . . . 0.0 102.74 -177.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.278 56.7 pttt -59.05 -53.58 56.75 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-N 109.099 -3.682 . . . . 0.0 116.831 172.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.319 3.2 p30 -71.39 -46.64 59.81 Favored 'General case' 0 N--CA 1.406 -2.647 0 O-C-N 118.937 -2.352 . . . . 0.0 113.024 168.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -42.21 -53.77 4.76 Favored Glycine 1 CA--C 1.594 4.97 1 N-CA-C 125.691 5.036 . . . . 0.0 125.691 179.973 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.06 -51.54 54.8 Favored Pre-proline 0 CA--C 1.585 2.304 0 CA-C-O 113.976 -2.916 . . . . 0.0 116.127 171.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -48.16 -38.26 32.51 Favored 'Trans proline' 0 CA--C 1.552 1.382 0 CA-C-N 127.33 3.654 . . . . 0.0 120.404 157.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.341 26.2 m -64.48 -54.35 33.9 Favored 'General case' 0 CA--C 1.592 2.588 0 O-C-N 119.082 -2.261 . . . . 0.0 113.955 175.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.0 tp -55.89 -38.07 69.69 Favored 'General case' 1 N--CA 1.542 4.173 0 N-CA-C 121.227 3.788 . . . . 0.0 121.227 167.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.47 -50.06 77.86 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.664 0 C-N-CA 129.696 3.198 . . . . 0.0 116.154 168.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.68 -55.87 19.51 Favored 'General case' 0 C--N 1.277 -2.585 0 C-N-CA 126.087 1.755 . . . . 0.0 111.046 171.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -47.25 -46.17 24.31 Favored 'General case' 0 CA--C 1.621 3.71 0 O-C-N 119.384 -2.073 . . . . 0.0 115.486 168.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.44 46.6 m-70 -64.38 -52.25 59.2 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 119.659 3.207 . . . . 0.0 119.659 173.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.418 ' HB1' HD22 ' A' ' 57' ' ' ASN . . . -53.76 -20.65 5.89 Favored 'General case' 0 CA--C 1.592 2.589 0 CA-C-O 112.956 -3.402 . . . . 0.0 117.185 164.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.413 86.6 m -78.43 -92.49 0.04 OUTLIER 'General case' 0 CA--C 1.601 2.936 0 O-C-N 128.84 3.838 . . . . 0.0 110.708 165.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . 0.36 . . . . . . . 0 C--O 1.283 2.854 0 N-CA-C 120.003 3.335 . . . . 0.0 120.003 168.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.329 0 N-CA-C 118.633 2.827 . . . . 0.0 118.633 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -162.4 77.15 0.48 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-O 122.96 1.362 . . . . 0.0 108.458 -176.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -142.24 163.56 32.54 Favored 'General case' 0 N--CA 1.517 2.915 0 CA-C-N 111.212 -2.722 . . . . 0.0 114.507 -168.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.36 157.51 53.46 Favored Glycine 0 C--N 1.374 2.655 0 CA-C-O 126.437 3.243 . . . . 0.0 113.494 157.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -149.45 133.77 17.4 Favored 'General case' 0 CA--C 1.592 2.587 0 CA-C-N 112.267 -1.967 . . . . 0.0 108.026 -170.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.7 t -95.16 128.19 46.54 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-O 126.956 3.265 . . . . 0.0 105.424 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.29 0.5 OUTLIER -126.93 120.61 56.14 Favored 'Isoleucine or valine' 0 CA--C 1.609 3.239 0 C-N-CA 129.632 3.173 . . . . 0.0 104.065 -173.197 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.413 ' O ' ' SG ' ' A' ' 9' ' ' CYS . . . -59.22 147.19 36.44 Favored 'General case' 0 N--CA 1.506 2.357 0 CA-C-O 124.439 2.066 . . . . 0.0 111.905 165.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 8' ' ' ALA . 78.6 m -150.36 135.66 17.94 Favored 'General case' 0 CA--C 1.594 2.639 0 C-N-CA 125.199 1.4 . . . . 0.0 113.026 -172.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -151.16 -14.45 0.21 Allowed 'General case' 0 C--N 1.387 2.227 0 O-C-N 126.624 2.453 . . . . 0.0 112.503 -164.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.2 p -146.5 -177.29 5.55 Favored 'General case' 0 CA--C 1.6 2.887 0 CA-C-N 123.131 2.696 . . . . 0.0 110.47 -155.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -55.6 -17.84 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.259 0 O-C-N 126.975 2.672 . . . . 0.0 117.656 154.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.97 -41.69 62.33 Favored 'General case' 0 CA--C 1.614 3.415 0 N-CA-C 116.252 1.945 . . . . 0.0 116.252 167.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.289 0.7 OUTLIER -62.64 -38.62 90.98 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 164.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -52.21 -49.96 62.9 Favored 'General case' 0 CA--C 1.569 1.681 0 O-C-N 118.635 -2.541 . . . . 0.0 114.628 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -58.46 -47.65 83.31 Favored 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 165.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.283 38.5 mt-10 -58.42 -65.08 0.71 Allowed 'General case' 0 CA--C 1.619 3.618 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 174.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -47.6 -64.74 0.71 Allowed 'General case' 0 CA--C 1.591 2.525 0 N-CA-C 117.895 2.554 . . . . 0.0 117.895 175.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.252 1.1 t80 -54.52 -59.36 4.8 Favored 'General case' 0 CA--C 1.62 3.67 0 N-CA-C 120.677 3.584 . . . . 0.0 120.677 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.18 -42.24 90.35 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -63.32 -63.08 1.29 Allowed 'General case' 0 CA--C 1.578 2.021 0 CA-C-N 122.219 2.281 . . . . 0.0 111.832 170.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.0 -75.75 0.2 Allowed Glycine 0 CA--C 1.569 3.411 0 O-C-N 120.897 -1.127 . . . . 0.0 115.475 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -79.73 91.31 5.28 Favored 'General case' 0 CA--C 1.62 3.657 0 CA-C-O 125.616 2.626 . . . . 0.0 106.511 161.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.4 -29.29 0.51 Allowed Glycine 0 C--O 1.293 3.817 0 N-CA-C 120.016 2.767 . . . . 0.0 120.016 162.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.1 m -119.29 138.26 53.13 Favored 'General case' 0 C--O 1.27 2.171 0 CA-C-N 110.87 -2.665 . . . . 0.0 106.188 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.341 0.2 OUTLIER -64.23 74.85 0.04 OUTLIER 'General case' 0 CA--C 1.592 2.594 0 CA-C-N 112.283 -2.235 . . . . 0.0 115.3 169.454 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.298 15.5 ptpt -158.54 154.03 26.0 Favored 'General case' 0 C--O 1.277 2.532 0 C-N-CA 126.553 1.941 . . . . 0.0 110.062 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 tp -86.17 153.52 21.99 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 124.628 2.156 . . . . 0.0 106.51 160.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.1 pt -149.5 137.53 14.31 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.723 0 N-CA-C 102.345 -3.206 . . . . 0.0 102.345 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.2 t -138.59 131.72 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 CA-C-N 110.473 -3.058 . . . . 0.0 105.737 -162.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.9 p -150.86 113.69 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.458 0 CA-C-O 123.345 1.545 . . . . 0.0 112.559 -158.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -77.15 133.14 39.05 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 129.542 3.137 . . . . 0.0 112.504 171.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -113.87 110.3 19.9 Favored 'General case' 0 C--O 1.276 2.472 0 CA-C-N 109.25 -3.614 . . . . 0.0 103.888 170.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -153.8 136.06 14.89 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 100.681 -3.822 . . . . 0.0 100.681 -171.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.25 153.8 39.26 Favored 'General case' 0 N--CA 1.388 -3.526 0 CA-C-N 109.8 -3.364 . . . . 0.0 116.979 150.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.1 t -55.34 -44.08 75.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 125.939 2.024 . . . . 0.0 115.42 162.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.403 40.5 p-90 -62.44 58.98 0.01 OUTLIER 'General case' 0 N--CA 1.525 3.309 1 CA-C-O 128.888 4.185 . . . . 0.0 115.994 165.536 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.4 t -153.95 81.02 4.8 Favored Pre-proline 0 N--CA 1.488 1.439 0 O-C-N 117.407 -3.308 . . . . 0.0 109.444 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.322 16.8 Cg_exo -47.35 -36.02 22.19 Favored 'Trans proline' 1 CA--C 1.619 4.746 0 N-CA-C 121.564 3.64 . . . . 0.0 121.564 160.932 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.78 -37.38 84.57 Favored 'Trans proline' 0 CA--C 1.584 3.003 0 C-N-CA 124.973 3.782 . . . . 0.0 120.422 158.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.463 72.9 m -75.53 -28.29 59.03 Favored 'General case' 0 CA--C 1.593 2.602 0 N-CA-C 119.926 3.306 . . . . 0.0 119.926 162.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.32 37.2 tttp -60.07 -39.17 85.11 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 166.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.447 9.7 ptt? -60.5 -47.93 83.99 Favored 'General case' 1 N--CA 1.544 4.247 0 N-CA-C 119.325 3.083 . . . . 0.0 119.325 153.619 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.603 1.1 tp -54.42 -42.9 60.89 Favored 'Isoleucine or valine' 0 C--O 1.283 2.856 1 N-CA-C 122.535 4.272 . . . . 0.0 122.535 178.512 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.85 -53.52 64.04 Favored Pre-proline 0 C--N 1.381 1.959 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 167.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -46.46 -41.86 23.12 Favored 'Trans proline' 0 CA--C 1.567 2.137 0 N-CA-C 121.206 3.502 . . . . 0.0 121.206 161.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mm -58.22 -60.46 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.647 0 O-C-N 117.729 -3.107 . . . . 0.0 113.766 164.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -44.99 -33.57 2.08 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 168.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.94 -51.9 42.3 Favored 'General case' 0 CA--C 1.587 2.384 0 O-C-N 118.505 -2.622 . . . . 0.0 115.137 166.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.01 -50.48 68.92 Favored 'General case' 0 N--CA 1.518 2.961 0 CA-C-O 115.9 -2.0 . . . . 0.0 115.804 171.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.0 -44.25 74.35 Favored 'General case' 1 CA--C 1.635 4.245 0 C-N-CA 126.201 1.8 . . . . 0.0 115.848 163.318 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.35 -43.76 75.33 Favored 'General case' 0 CA--C 1.617 3.524 0 O-C-N 119.119 -2.238 . . . . 0.0 116.328 171.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -58.06 -35.75 71.8 Favored 'General case' 0 CA--C 1.628 3.961 0 O-C-N 128.435 3.584 . . . . 0.0 117.003 166.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -63.24 -40.82 98.51 Favored 'General case' 0 CA--C 1.582 2.184 0 O-C-N 119.586 -1.946 . . . . 0.0 114.654 173.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -131.82 81.05 64.18 Favored Pre-proline 0 CA--C 1.609 3.247 0 O-C-N 126.629 2.455 . . . . 0.0 105.791 -147.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -56.67 -38.1 96.33 Favored 'Trans proline' 0 C--N 1.386 2.539 1 C-N-CA 125.521 4.147 . . . . 0.0 122.272 177.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.495 HD22 ' HB1' ' A' ' 111' ' ' ALA 0.295 9.3 p30 -57.27 1.1 0.04 OUTLIER 'General case' 0 CA--C 1.606 3.114 0 N-CA-C 118.821 2.897 . . . . 0.0 118.821 -178.584 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.485 3.2 p -140.19 110.16 3.71 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.687 0 C-N-CA 126.711 2.004 . . . . 0.0 115.501 -152.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . 0.286 90.8 m -64.97 143.31 58.04 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 118.199 -2.813 . . . . 0.0 113.661 161.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -138.64 129.48 26.53 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 126.653 3.12 . . . . 0.0 106.211 -169.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.277 0.6 OUTLIER -152.19 156.1 39.11 Favored 'General case' 0 C--N 1.36 1.056 0 O-C-N 118.684 -2.51 . . . . 0.0 108.524 -171.24 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -148.98 113.85 5.41 Favored 'General case' 0 N--CA 1.526 3.375 0 O-C-N 118.916 -2.365 . . . . 0.0 106.202 -164.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . 0.326 44.4 t -92.47 109.97 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.619 3.611 0 O-C-N 127.447 2.967 . . . . 0.0 108.964 -174.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -70.27 99.45 1.54 Allowed 'General case' 0 CA--C 1.583 2.216 0 N-CA-C 103.426 -2.805 . . . . 0.0 103.426 163.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.327 0.3 OUTLIER -53.86 -30.12 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.931 1 N-CA-C 123.007 4.447 . . . . 0.0 123.007 176.248 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.51 -44.33 62.54 Favored 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 117.211 2.3 . . . . 0.0 117.211 171.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.345 10.0 mm-40 -59.16 -42.26 90.32 Favored 'General case' 0 CA--C 1.625 3.842 0 N-CA-C 120.199 3.407 . . . . 0.0 120.199 162.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.5 mt -139.91 52.19 1.7 Allowed 'General case' 1 CA--C 1.641 4.48 0 CA-C-O 125.067 2.365 . . . . 0.0 109.691 -153.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -76.2 -41.58 49.03 Favored 'General case' 0 C--O 1.252 1.211 0 CA-C-O 113.886 -2.959 . . . . 0.0 118.624 172.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.92 -57.0 11.77 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 128.622 3.701 . . . . 0.0 115.128 173.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.9 p -58.12 -50.19 79.02 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.881 1 N-CA-C 123.413 4.598 . . . . 0.0 123.413 163.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.92 -55.65 2.44 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 117.581 2.437 . . . . 0.0 117.581 163.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -47.06 -54.78 9.55 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-O 112.975 -3.393 . . . . 0.0 117.938 164.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.472 2.1 pt-20 -49.14 -51.02 34.72 Favored 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 175.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -58.64 -49.85 76.01 Favored 'General case' 0 C--N 1.377 1.783 0 CA-C-O 113.072 -3.346 . . . . 0.0 115.166 165.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.8 t30 157.34 84.51 0.0 OUTLIER 'General case' 0 CA--C 1.599 2.837 0 CA-C-N 123.545 2.884 . . . . 0.0 106.283 153.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.0 t -150.91 94.34 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.186 -2.254 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 -164.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.59 -5.91 56.75 Favored 'General case' 0 N--CA 1.526 3.364 0 C-N-CA 131.237 3.815 . . . . 0.0 112.742 164.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.57 131.59 19.27 Favored 'General case' 0 CA--C 1.604 3.049 0 O-C-N 125.547 1.779 . . . . 0.0 114.196 -152.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.77 115.09 32.25 Favored Pre-proline 0 N--CA 1.512 2.637 0 CA-C-O 114.86 -2.495 . . . . 0.0 111.499 152.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -150.71 143.97 0.0 OUTLIER 'Cis proline' 1 C--N 1.443 5.502 1 CA-C-O 133.537 5.557 . . . . 0.0 120.212 -4.353 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.4 m -126.57 135.04 50.74 Favored 'General case' 0 C--O 1.279 2.609 0 CA-C-N 109.185 -3.643 . . . . 0.0 106.311 -140.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -132.39 106.25 7.77 Favored 'General case' 0 N--CA 1.499 2.003 0 CA-C-N 108.814 -3.812 . . . . 0.0 108.867 -165.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.382 17.6 mt -109.9 146.24 15.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 1 C-N-CA 132.357 4.263 . . . . 0.0 106.647 -171.541 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -136.57 104.72 5.65 Favored 'General case' 0 CA--C 1.582 2.177 0 CA-C-N 108.575 -3.92 . . . . 0.0 104.577 -159.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.48 125.76 35.19 Favored 'General case' 0 CA--C 1.586 2.339 2 N-CA-C 96.019 -5.549 . . . . 0.0 96.019 -166.035 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.401 ' C ' ' H ' ' A' ' 89' ' ' GLY . 56.4 tttt -118.28 172.3 7.54 Favored 'General case' 0 CA--C 1.568 1.663 1 CA-C-N 106.328 -4.942 . . . . 0.0 111.398 -179.199 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.333 5.1 p-10 -59.7 47.45 0.01 OUTLIER 'General case' 0 CA--C 1.626 3.868 0 N-CA-C 119.636 3.199 . . . . 0.0 119.636 148.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 87' ' ' LYS . . . -167.26 30.93 0.19 Allowed Glycine 0 N--CA 1.513 3.785 0 O-C-N 127.733 3.145 . . . . 0.0 112.01 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.474 48.0 mtmt 59.57 -151.22 0.42 Allowed 'General case' 1 CA--C 1.64 4.412 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -165.552 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.5 tp -72.87 89.92 1.42 Allowed 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.367 22.8 m -63.63 -29.24 46.75 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 N-CA-C 118.756 2.872 . . . . 0.0 118.756 171.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -165.82 170.04 14.32 Favored 'General case' 0 CA--C 1.573 1.828 0 CA-C-N 121.685 2.039 . . . . 0.0 112.718 -177.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -165.95 130.96 2.35 Favored 'General case' 0 CA--C 1.576 1.954 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 176.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 87.1 m -145.74 157.63 43.92 Favored 'General case' 0 CA--C 1.619 3.61 0 N-CA-C 102.717 -3.068 . . . . 0.0 102.717 -172.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.278 0.2 OUTLIER -150.17 107.9 0.43 Allowed 'Isoleucine or valine' 0 C--O 1.292 3.32 0 N-CA-C 100.939 -3.726 . . . . 0.0 100.939 -168.405 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -179.27 -158.01 20.77 Favored Glycine 0 C--N 1.393 3.705 0 CA-C-N 114.023 -1.444 . . . . 0.0 109.968 174.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -167.34 116.67 0.83 Allowed 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -161.57 122.18 2.69 Favored 'General case' 0 CA--C 1.602 2.969 0 C-N-CA 127.299 2.24 . . . . 0.0 108.44 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.326 38.2 pttt -45.28 -33.4 2.39 Favored 'General case' 1 CA--C 1.639 4.402 1 N-CA-C 123.065 4.469 . . . . 0.0 123.065 170.908 . . . . . . . . 4 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -105.55 -47.07 4.01 Favored 'General case' 0 CA--C 1.561 1.402 1 C-N-CA 132.397 4.279 . . . . 0.0 114.652 -176.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -49.72 -43.57 38.1 Favored Glycine 0 CA--C 1.544 1.879 0 O-C-N 126.449 2.343 . . . . 0.0 117.917 173.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.429 34.4 tp -62.3 -60.73 9.24 Favored Pre-proline 0 N--CA 1.501 2.09 1 CA-C-O 111.588 -4.053 . . . . 0.0 110.899 171.756 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . 0.252 32.3 Cg_exo -44.49 -41.88 14.06 Favored 'Trans proline' 1 CA--C 1.608 4.18 0 C-N-CA 124.836 3.691 . . . . 0.0 114.82 170.897 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.322 37.0 m -58.2 -47.23 84.11 Favored 'General case' 0 CA--C 1.593 2.627 0 N-CA-C 118.517 2.784 . . . . 0.0 118.517 174.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.305 49.6 tp -60.13 -61.36 2.66 Favored 'General case' 0 CA--C 1.564 1.482 0 CA-C-N 108.899 -3.773 . . . . 0.0 113.075 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 51.7 t -58.32 -36.86 60.12 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.614 0 N-CA-C 117.689 2.477 . . . . 0.0 117.689 169.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.09 -57.34 4.55 Favored 'General case' 0 CA--C 1.562 1.423 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 162.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -52.33 -49.27 64.61 Favored 'General case' 0 CA--C 1.579 2.064 0 N-CA-C 120.672 3.582 . . . . 0.0 120.672 166.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -60.6 -59.66 5.04 Favored 'General case' 0 CA--C 1.602 2.943 0 C-N-CA 126.71 2.004 . . . . 0.0 112.446 171.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.495 ' HB1' HD22 ' A' ' 57' ' ' ASN . . . -46.09 -45.12 16.11 Favored 'General case' 0 CA--C 1.581 2.135 0 N-CA-C 118.778 2.881 . . . . 0.0 118.778 171.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.9 m -57.38 -58.78 6.74 Favored 'General case' 1 N--CA 1.559 5.016 0 N-CA-C 116.2 1.926 . . . . 0.0 116.2 167.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.568 1.642 1 CA-C-O 128.934 4.207 . . . . 0.0 117.106 167.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.521 3.077 0 CA-C-O 122.454 1.121 . . . . 0.0 109.165 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -159.19 139.97 12.57 Favored 'General case' 0 CA--C 1.605 3.088 0 CA-C-O 127.589 3.566 . . . . 0.0 109.96 -174.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -161.03 166.8 27.6 Favored 'General case' 0 CA--C 1.576 1.968 0 O-C-N 117.514 -3.241 . . . . 0.0 112.168 -175.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.01 174.99 51.14 Favored Glycine 1 N--CA 1.532 5.067 1 O-C-N 129.167 4.042 . . . . 0.0 111.486 163.035 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -159.28 126.52 4.74 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 125.197 2.427 . . . . 0.0 107.733 -171.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.3 t -84.47 124.46 39.85 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.392 0 C-N-CA 129.792 3.237 . . . . 0.0 111.001 170.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.41 0.3 OUTLIER -126.13 114.52 38.96 Favored 'Isoleucine or valine' 1 CA--C 1.63 4.027 0 C-N-CA 130.268 3.427 . . . . 0.0 112.601 -179.629 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.41 137.38 52.97 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 118.388 -2.695 . . . . 0.0 112.557 165.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.1 m -149.28 131.11 15.13 Favored 'General case' 0 N--CA 1.493 1.724 1 CA-C-O 128.517 4.008 . . . . 0.0 106.696 -161.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -145.79 -15.38 0.48 Allowed 'General case' 0 CA--C 1.577 2.006 0 O-C-N 118.585 -2.572 . . . . 0.0 117.652 -160.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.9 p -149.79 -170.67 3.7 Favored 'General case' 0 CA--C 1.595 2.681 0 C-N-CA 125.205 1.402 . . . . 0.0 108.223 -163.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.256 8.4 p -61.09 -12.19 5.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 N-CA-C 120.17 3.396 . . . . 0.0 120.17 161.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.59 -54.69 33.89 Favored 'General case' 0 N--CA 1.523 3.182 0 O-C-N 119.869 -1.77 . . . . 0.0 114.825 163.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.268 1.1 t -48.43 -41.82 30.48 Favored 'General case' 0 CA--C 1.578 2.052 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 165.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -52.59 -50.54 62.82 Favored 'General case' 0 CA--C 1.567 1.621 0 O-C-N 118.214 -2.804 . . . . 0.0 112.222 173.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.297 29.6 mtmt -48.28 -51.56 25.22 Favored 'General case' 0 CA--C 1.599 2.831 0 N-CA-C 118.306 2.706 . . . . 0.0 118.306 164.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -65.33 -60.55 2.85 Favored 'General case' 0 N--CA 1.535 3.782 0 N-CA-C 115.219 1.563 . . . . 0.0 115.219 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -51.49 -62.25 1.74 Allowed 'General case' 0 CA--C 1.591 2.546 0 C-N-CA 126.956 2.102 . . . . 0.0 114.265 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.89 -58.76 6.28 Favored 'General case' 0 CA--C 1.62 3.648 0 N-CA-C 120.128 3.381 . . . . 0.0 120.128 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.311 52.3 mm-40 -54.6 -47.08 73.82 Favored 'General case' 0 N--CA 1.509 2.507 0 CA-C-O 115.251 -2.309 . . . . 0.0 114.266 168.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -52.35 -60.19 3.52 Favored 'General case' 0 CA--C 1.617 3.527 0 CA-C-N 122.109 2.231 . . . . 0.0 116.078 165.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.36 -86.61 0.02 OUTLIER Glycine 0 N--CA 1.491 2.313 0 C-N-CA 125.129 1.347 . . . . 0.0 116.174 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -75.84 99.39 4.45 Favored 'General case' 0 C--O 1.196 -1.737 0 CA-C-O 125.083 2.373 . . . . 0.0 105.103 163.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.16 -48.46 0.48 Allowed Glycine 1 CA--C 1.623 6.797 0 C-N-CA 126.912 2.196 . . . . 0.0 112.994 161.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m -92.91 122.71 35.56 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 128.447 2.699 . . . . 0.0 105.174 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -58.87 77.51 0.01 OUTLIER 'General case' 0 N--CA 1.521 3.109 0 CA-C-O 125.471 2.558 . . . . 0.0 113.233 169.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -165.05 171.35 14.0 Favored 'General case' 0 C--O 1.273 2.301 0 CA-C-N 113.522 -1.672 . . . . 0.0 109.358 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.2 tp -94.26 150.58 20.17 Favored 'General case' 0 CA--C 1.604 3.028 0 CA-C-O 126.633 3.111 . . . . 0.0 107.394 165.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.292 1.0 OUTLIER -139.97 144.18 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.856 1 CA-C-N 107.802 -4.272 . . . . 0.0 102.718 178.683 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.7 t -146.02 136.06 18.02 Favored 'Isoleucine or valine' 0 C--O 1.249 1.076 0 O-C-N 126.727 2.517 . . . . 0.0 106.808 -171.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.419 HG22 ' CE2' ' A' ' 33' ' ' PHE . 6.0 p -152.48 116.7 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.403 2.917 0 CA-C-O 125.121 2.391 . . . . 0.0 113.857 -164.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -78.41 129.61 35.14 Favored 'General case' 0 CA--C 1.569 1.689 0 CA-C-O 125.982 2.801 . . . . 0.0 106.797 168.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.419 ' CE2' HG22 ' A' ' 31' ' ' VAL . 86.8 m-85 -114.85 103.55 11.06 Favored 'General case' 0 CA--C 1.594 2.66 1 N-CA-C 99.425 -4.287 . . . . 0.0 99.425 169.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.404 ' HG1' ' HB2' ' A' ' 41' ' ' CYS . 11.1 t -148.81 150.51 33.17 Favored 'General case' 0 C--O 1.264 1.857 0 N-CA-C 101.054 -3.684 . . . . 0.0 101.054 -169.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.52 152.49 22.17 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 128.175 2.59 . . . . 0.0 111.088 172.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.6 t -56.13 -39.06 71.67 Favored 'General case' 0 CA--C 1.582 2.18 0 N-CA-C 117.867 2.544 . . . . 0.0 117.867 158.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -62.07 71.84 0.02 OUTLIER 'General case' 0 C--O 1.193 -1.89 0 N-CA-C 117.367 2.358 . . . . 0.0 117.367 154.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.0 t -168.63 96.67 0.55 Allowed Pre-proline 1 N--CA 1.544 4.273 0 C-N-CA 127.514 2.325 . . . . 0.0 112.914 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -65.38 -44.38 9.03 Favored 'Trans proline' 0 N--CA 1.531 3.695 1 C-N-CA 126.924 5.083 . . . . 0.0 112.613 165.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -46.78 -49.71 11.85 Favored 'Trans proline' 0 CA--C 1.583 2.928 0 N-CA-C 121.851 3.751 . . . . 0.0 121.851 165.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.404 ' HB2' ' HG1' ' A' ' 34' ' ' THR 0.454 60.4 m -70.79 -18.02 62.76 Favored 'General case' 0 N--CA 1.508 2.434 1 N-CA-C 121.822 4.008 . . . . 0.0 121.822 159.749 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -55.84 -53.88 51.37 Favored 'General case' 0 N--CA 1.52 3.047 0 O-C-N 118.419 -2.676 . . . . 0.0 114.859 160.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.323 24.9 ptt? -59.85 -40.37 88.34 Favored 'General case' 0 N--CA 1.525 3.291 0 N-CA-C 118.707 2.855 . . . . 0.0 118.707 163.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.593 1.0 OUTLIER -52.18 -35.07 18.72 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.202 0 N-CA-C 119.853 3.279 . . . . 0.0 119.853 163.405 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.268 . . -48.59 -73.0 0.12 Allowed Pre-proline 0 N--CA 1.524 3.27 0 O-C-N 118.765 -2.46 . . . . 0.0 111.167 169.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -46.58 -33.61 13.53 Favored 'Trans proline' 0 N--CA 1.501 1.963 1 N-CA-C 125.946 5.325 . . . . 0.0 125.946 162.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.527 19.4 mm -51.49 -63.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.378 1.813 0 N-CA-C 119.086 2.995 . . . . 0.0 119.086 163.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.33 68.3 t80 -46.7 -42.84 17.2 Favored 'General case' 0 CA--C 1.605 3.093 0 CA-C-N 110.413 -3.085 . . . . 0.0 115.063 171.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.333 . . -56.52 -52.77 63.51 Favored 'General case' 0 CA--C 1.612 3.33 1 N-CA-C 124.608 5.04 . . . . 0.0 124.608 160.214 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -59.6 -51.42 69.89 Favored 'General case' 0 C--N 1.378 1.836 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 171.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.281 1.2 tm? -51.98 -40.35 60.79 Favored 'General case' 0 N--CA 1.509 2.488 0 N-CA-C 117.079 2.251 . . . . 0.0 117.079 161.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.43 -36.57 73.82 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 117.884 2.55 . . . . 0.0 117.884 166.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -66.06 -34.96 79.26 Favored 'General case' 1 N--CA 1.552 4.651 0 N-CA-C 117.798 2.518 . . . . 0.0 117.798 167.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -69.68 -28.76 66.12 Favored 'General case' 0 CA--C 1.574 1.866 0 CA-C-N 110.877 -2.874 . . . . 0.0 116.528 172.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -137.04 102.8 9.05 Favored Pre-proline 0 CA--C 1.627 3.916 0 C-N-CA 131.486 3.914 . . . . 0.0 111.77 -159.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.353 0.3 OUTLIER -64.37 -38.67 33.02 Favored 'Trans proline' 0 C--N 1.41 3.796 2 N-CA-C 131.61 7.504 . . . . 0.0 131.61 175.442 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.496 HD22 ' HB1' ' A' ' 111' ' ' ALA 0.286 9.4 p30 -65.11 2.08 0.85 Allowed 'General case' 0 N--CA 1.515 2.815 0 C-N-CA 131.337 3.855 . . . . 0.0 115.875 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.306 7.4 p -144.49 102.13 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.609 3.218 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -148.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . 0.33 11.9 m -62.89 154.56 29.81 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 118.794 2.887 . . . . 0.0 118.794 149.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -145.79 132.61 20.07 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 112.324 -2.217 . . . . 0.0 107.365 -165.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.51 151.38 29.75 Favored 'General case' 0 C--N 1.365 1.259 0 N-CA-C 104.315 -2.476 . . . . 0.0 104.315 -165.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.286 44.7 pttt -144.77 113.67 6.84 Favored 'General case' 0 C--O 1.262 1.713 0 C-N-CA 125.755 1.622 . . . . 0.0 109.961 -170.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.5 t -89.46 113.34 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.75 1 C-N-CA 132.585 4.354 . . . . 0.0 110.898 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -59.46 104.72 0.29 Allowed 'General case' 0 N--CA 1.519 3.006 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 151.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.9 p -56.09 -43.6 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.724 0 C-N-CA 125.255 1.422 . . . . 0.0 114.757 174.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -45.7 -38.03 6.44 Favored 'General case' 0 N--CA 1.519 2.986 0 CA-C-N 122.221 2.282 . . . . 0.0 113.518 172.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -63.2 -48.07 79.89 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 125.388 1.475 . . . . 0.0 114.26 166.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.7 mt -139.45 52.91 1.72 Allowed 'General case' 0 CA--C 1.581 2.141 0 C-N-CA 129.12 2.968 . . . . 0.0 111.362 -157.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -73.74 -49.23 26.55 Favored 'General case' 0 CA--C 1.582 2.205 0 C-N-CA 128.754 2.821 . . . . 0.0 110.016 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.93 -57.07 7.05 Favored 'General case' 0 C--N 1.397 2.651 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.532 HG22 ' HE1' ' A' ' 75' ' ' TRP 0.412 12.3 p -52.44 -50.36 39.24 Favored 'Isoleucine or valine' 0 C--N 1.378 1.829 0 N-CA-C 121.001 3.704 . . . . 0.0 121.001 161.079 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.92 -49.66 29.34 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 117.751 -3.093 . . . . 0.0 112.901 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -53.67 -53.6 49.68 Favored 'General case' 0 N--CA 1.503 2.181 0 CA-C-O 113.312 -3.232 . . . . 0.0 109.943 170.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.798 1.2 pt-20 -44.61 -58.59 2.93 Favored 'General case' 0 C--O 1.275 2.431 0 N-CA-C 120.234 3.42 . . . . 0.0 120.234 175.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.532 ' HE1' HG22 ' A' ' 71' ' ' VAL . 42.3 m95 -58.0 -43.29 86.55 Favored 'General case' 0 N--CA 1.497 1.924 1 O-C-N 115.357 -4.59 . . . . 0.0 115.221 171.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.292 8.9 t30 146.53 86.73 0.0 OUTLIER 'General case' 0 CA--C 1.614 3.416 0 CA-C-O 126.083 2.849 . . . . 0.0 103.486 146.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . 0.387 7.4 t -134.45 73.78 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.611 3.321 0 CA-C-N 112.323 -2.217 . . . . 0.0 110.636 -174.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.297 0.0 OUTLIER -64.47 -19.74 65.75 Favored 'General case' 0 CA--C 1.587 2.387 0 N-CA-C 120.804 3.631 . . . . 0.0 120.804 148.184 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.04 141.49 23.37 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 124.044 1.878 . . . . 0.0 110.295 -160.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.06 119.51 73.46 Favored Pre-proline 0 N--CA 1.499 1.987 0 CA-C-N 110.164 -3.198 . . . . 0.0 106.241 171.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.341 9.0 Cg_endo -157.5 149.85 0.0 OUTLIER 'Cis proline' 0 C--N 1.399 3.235 0 N-CA-C 120.362 3.178 . . . . 0.0 120.362 -3.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.2 m -118.9 112.46 19.68 Favored 'General case' 0 N--CA 1.496 1.839 2 CA-C-N 103.725 -6.125 . . . . 0.0 105.95 -142.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -93.21 120.21 33.24 Favored 'General case' 0 C--O 1.302 3.817 0 O-C-N 127.492 2.995 . . . . 0.0 106.263 169.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -108.29 144.62 16.56 Favored 'Isoleucine or valine' 1 CA--C 1.633 4.156 0 C-N-CA 130.541 3.537 . . . . 0.0 109.095 179.535 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -128.66 111.52 13.26 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 100.771 -3.788 . . . . 0.0 100.771 -161.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.35 127.09 20.45 Favored 'General case' 0 CA--C 1.566 1.568 1 CA-C-O 131.603 5.478 . . . . 0.0 103.658 -169.421 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -128.09 176.26 7.77 Favored 'General case' 0 C--O 1.282 2.809 1 O-C-N 114.914 -4.866 . . . . 0.0 110.366 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -60.81 41.04 0.01 OUTLIER 'General case' 1 N--CA 1.545 4.281 0 CA-C-O 127.121 3.343 . . . . 0.0 119.809 157.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.48 44.65 0.39 Allowed Glycine 0 N--CA 1.493 2.442 0 CA-C-N 112.787 -2.006 . . . . 0.0 111.6 177.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.297 51.6 mtmt 50.9 -157.06 0.11 Allowed 'General case' 0 N--CA 1.527 3.385 0 C-N-CA 125.428 1.491 . . . . 0.0 113.114 -172.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.4 tp -66.76 92.96 0.23 Allowed 'General case' 0 CA--C 1.594 2.657 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 170.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.4 m -68.31 -30.16 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 1 N-CA-C 122.585 4.291 . . . . 0.0 122.585 170.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -168.0 164.23 13.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.047 -1.658 . . . . 0.0 113.222 -177.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . 0.337 18.0 pttm -157.01 139.16 14.56 Favored 'General case' 0 CA--C 1.609 3.215 0 C-N-CA 126.09 1.756 . . . . 0.0 110.033 -173.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 38.1 m -162.52 149.02 12.98 Favored 'General case' 0 C--N 1.288 -2.079 0 CA-C-O 124.622 2.153 . . . . 0.0 109.435 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.82 99.39 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.514 2.737 0 CA-C-O 126.75 3.166 . . . . 0.0 109.41 -163.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -166.05 -149.43 5.91 Favored Glycine 0 C--O 1.273 2.55 0 O-C-N 117.923 -2.986 . . . . 0.0 115.575 -177.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -176.83 102.65 0.06 Allowed 'General case' 0 CA--C 1.556 1.195 0 CA-C-N 122.935 3.367 . . . . 0.0 109.03 177.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -165.74 132.35 2.7 Favored 'General case' 0 CA--C 1.58 2.122 0 CA-C-N 120.982 1.719 . . . . 0.0 109.133 -173.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.431 36.5 pttt -47.39 -66.38 0.41 Allowed 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 119.145 3.017 . . . . 0.0 119.145 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.398 9.4 p-10 -56.89 -43.15 81.01 Favored 'General case' 0 CA--C 1.591 2.557 0 N-CA-C 116.669 2.1 . . . . 0.0 116.669 167.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -39.83 -81.36 0.03 OUTLIER Glycine 1 N--CA 1.529 4.854 0 N-CA-C 117.949 1.94 . . . . 0.0 117.949 174.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.298 57.8 tp -37.69 -57.34 1.58 Allowed Pre-proline 0 N--CA 1.508 2.45 1 N-CA-C 123.891 4.774 . . . . 0.0 123.891 172.75 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -43.31 -47.72 8.74 Favored 'Trans proline' 0 CA--C 1.588 3.222 0 C-N-CA 124.11 3.207 . . . . 0.0 119.369 160.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.472 89.7 m -52.08 -60.26 3.41 Favored 'General case' 0 N--CA 1.52 3.036 0 N-CA-C 116.75 2.13 . . . . 0.0 116.75 170.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 45.8 tp -53.41 -59.66 4.29 Favored 'General case' 0 CA--C 1.573 1.837 0 C-N-CA 128.267 2.627 . . . . 0.0 115.088 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.282 84.0 t -45.64 -55.38 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.517 2.91 0 O-C-N 117.681 -3.137 . . . . 0.0 116.04 166.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.69 -52.93 10.14 Favored 'General case' 0 C--N 1.368 1.396 0 N-CA-C 119.254 3.057 . . . . 0.0 119.254 169.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -46.13 -52.15 12.72 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 117.208 2.299 . . . . 0.0 117.208 161.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -57.81 -71.18 0.11 Allowed 'General case' 0 CA--C 1.615 3.476 0 N-CA-C 117.515 2.413 . . . . 0.0 117.515 174.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.496 ' HB1' HD22 ' A' ' 57' ' ' ASN 0.274 . . -55.9 -49.75 72.57 Favored 'General case' 0 CA--C 1.586 2.355 0 N-CA-C 119.324 3.083 . . . . 0.0 119.324 177.398 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.335 11.9 m -48.72 -68.14 0.21 Allowed 'General case' 0 N--CA 1.51 2.526 0 O-C-N 127.088 2.742 . . . . 0.0 113.1 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.608 0 N-CA-C 121.175 3.768 . . . . 0.0 121.175 167.442 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.834 0 CA-C-O 122.479 1.133 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -158.98 89.54 0.94 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 119.506 -1.996 . . . . 0.0 110.126 -171.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -164.0 166.64 21.34 Favored 'General case' 0 N--CA 1.514 2.757 0 O-C-N 118.691 -2.506 . . . . 0.0 115.396 -174.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.92 -176.5 42.49 Favored Glycine 0 CA--C 1.549 2.161 0 CA-C-N 112.199 -2.273 . . . . 0.0 114.159 153.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -156.86 157.45 34.94 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-O 125.108 2.385 . . . . 0.0 111.201 -170.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.9 t -125.16 121.67 61.3 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.626 0 C-N-CA 129.122 2.969 . . . . 0.0 105.969 -161.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.1 125.29 51.31 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.125 0 N-CA-C 102.469 -3.16 . . . . 0.0 102.469 -165.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.86 141.15 51.27 Favored 'General case' 0 C--O 1.246 0.892 0 N-CA-C 119.335 3.087 . . . . 0.0 119.335 163.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 62.2 m -146.67 132.57 19.1 Favored 'General case' 0 CA--C 1.595 2.686 0 CA-C-O 127.395 3.474 . . . . 0.0 106.565 -166.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -141.46 -4.32 1.13 Allowed 'General case' 0 N--CA 1.507 2.423 0 CA-C-N 108.717 -3.856 . . . . 0.0 119.046 -170.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.3 p -149.77 -169.37 3.36 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 119.465 -2.022 . . . . 0.0 112.265 -157.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.359 14.5 p -56.89 -13.97 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.539 3.984 1 N-CA-C 121.917 4.043 . . . . 0.0 121.917 153.137 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.265 76.5 m-20 -48.49 -48.62 37.85 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 118.637 2.829 . . . . 0.0 118.637 169.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.294 6.6 t -63.26 -31.27 72.38 Favored 'General case' 0 CA--C 1.603 3.018 0 CA-C-N 111.824 -2.444 . . . . 0.0 116.059 169.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . 0.253 19.4 m95 -54.25 -41.79 69.19 Favored 'General case' 0 CA--C 1.593 2.611 0 O-C-N 118.685 -2.51 . . . . 0.0 117.131 165.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -61.88 -54.86 36.24 Favored 'General case' 2 N--CA 1.54 4.075 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 159.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.318 33.8 mt-10 -56.28 -63.67 1.11 Allowed 'General case' 0 CA--C 1.575 1.915 1 N-CA-C 126.739 5.829 . . . . 0.0 126.739 175.661 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -53.06 -62.71 1.48 Allowed 'General case' 0 CA--C 1.592 2.593 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 173.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.406 1.1 t80 -50.52 -58.85 4.82 Favored 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 174.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.369 39.2 mm-40 -61.07 -60.38 3.86 Favored 'General case' 0 CA--C 1.571 1.78 0 C-N-CA 127.985 2.514 . . . . 0.0 115.142 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -47.26 -56.91 5.86 Favored 'General case' 0 N--CA 1.5 2.025 0 CA-C-N 122.86 2.573 . . . . 0.0 112.099 167.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.59 -95.31 0.01 OUTLIER Glycine 1 CA--C 1.61 5.974 1 C-N-CA 130.723 4.011 . . . . 0.0 111.592 -177.976 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -70.53 100.33 1.79 Allowed 'General case' 0 C--N 1.383 2.055 0 CA-C-O 122.817 1.294 . . . . 0.0 110.527 157.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.34 -41.31 0.51 Allowed Glycine 0 CA--C 1.552 2.4 0 CA-C-N 112.671 -2.059 . . . . 0.0 114.517 160.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.8 m -106.65 124.77 50.11 Favored 'General case' 0 CA--C 1.605 3.071 0 O-C-N 129.314 3.597 . . . . 0.0 106.843 -172.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -65.62 75.65 0.07 Allowed 'General case' 0 N--CA 1.506 2.36 0 CA-C-N 113.498 -1.683 . . . . 0.0 114.582 167.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.284 0.1 OUTLIER -158.25 164.02 36.87 Favored 'General case' 0 CA--C 1.627 3.908 0 N-CA-C 102.334 -3.21 . . . . 0.0 102.334 -178.526 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.34 31.8 tp -89.31 152.85 21.31 Favored 'General case' 0 C--O 1.266 1.94 0 CA-C-N 110.195 -3.184 . . . . 0.0 111.966 161.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.332 1.4 pt -148.87 133.78 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 C-N-CA 129.843 3.257 . . . . 0.0 104.229 -175.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -139.14 140.25 38.45 Favored 'Isoleucine or valine' 0 CA--C 1.629 3.999 0 CA-C-O 126.717 3.151 . . . . 0.0 102.924 -173.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.7 p -150.96 109.16 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.452 0 CA-C-O 124.279 1.99 . . . . 0.0 110.329 -164.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -66.68 136.95 56.3 Favored 'General case' 0 CA--C 1.573 1.86 0 C-N-CA 127.228 2.211 . . . . 0.0 114.218 158.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -135.54 93.61 2.98 Favored 'General case' 0 CA--C 1.561 1.394 0 N-CA-C 102.682 -3.081 . . . . 0.0 102.682 -169.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.1 t -135.72 151.63 50.34 Favored 'General case' 0 C--O 1.272 2.238 0 CA-C-O 127.9 3.714 . . . . 0.0 103.722 -161.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.86 128.58 33.52 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 110.866 -2.879 . . . . 0.0 114.295 158.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.298 8.0 t -47.32 -33.9 6.24 Favored 'General case' 0 N--CA 1.517 2.885 0 N-CA-C 120.021 3.341 . . . . 0.0 120.021 172.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 54.1 p-90 -83.91 90.24 7.36 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 128.577 2.751 . . . . 0.0 105.309 166.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.531 ' SG ' ' HD2' ' A' ' 40' ' ' PRO . 53.4 t -170.06 95.92 0.48 Allowed Pre-proline 0 CA--C 1.565 1.524 0 CA-C-O 113.46 -3.162 . . . . 0.0 110.772 174.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -53.03 -42.25 65.91 Favored 'Trans proline' 1 CA--C 1.633 5.458 0 N-CA-C 120.074 3.067 . . . . 0.0 120.074 159.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.531 ' HD2' ' SG ' ' A' ' 38' ' ' CYS . 24.2 Cg_exo -53.74 -50.54 13.4 Favored 'Trans proline' 1 CA--C 1.611 4.336 0 C-N-CA 124.294 3.329 . . . . 0.0 116.027 168.756 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.636 66.7 m -62.66 -28.06 69.67 Favored 'General case' 0 CA--C 1.582 2.178 1 N-CA-C 124.791 5.108 . . . . 0.0 124.791 160.256 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -56.16 -51.62 67.33 Favored 'General case' 0 CA--C 1.572 1.818 0 CA-C-O 112.466 -3.635 . . . . 0.0 115.802 163.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.354 11.6 ptt? -63.18 -35.16 79.37 Favored 'General case' 0 N--CA 1.502 2.139 1 N-CA-C 122.394 4.22 . . . . 0.0 122.394 159.484 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.581 1.0 OUTLIER -54.58 -38.37 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 166.415 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.261 . . -50.21 -56.81 15.52 Favored Pre-proline 0 C--O 1.186 -2.254 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 165.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -48.52 -40.94 37.39 Favored 'Trans proline' 0 N--CA 1.507 2.311 2 O-C-N 113.173 -4.172 . . . . 0.0 121.304 161.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.38 40.4 mm -51.06 -55.57 7.08 Favored 'Isoleucine or valine' 0 C--N 1.392 2.422 1 O-C-N 115.215 -4.678 . . . . 0.0 115.412 162.292 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.31 -31.97 70.78 Favored 'General case' 0 C--N 1.395 2.546 0 C-N-CA 127.527 2.331 . . . . 0.0 116.199 171.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.36 . . -68.5 -55.49 11.57 Favored 'General case' 0 C--O 1.276 2.498 0 N-CA-C 117.535 2.42 . . . . 0.0 117.535 163.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.256 7.1 tm-20 -50.83 -58.26 6.39 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 118.254 -2.779 . . . . 0.0 116.919 167.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.5 -47.35 14.16 Favored 'General case' 0 CA--C 1.571 1.768 0 O-C-N 127.358 2.911 . . . . 0.0 115.262 169.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.01 -44.27 74.39 Favored 'General case' 0 CA--C 1.559 1.304 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 168.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -56.4 -38.44 71.52 Favored 'General case' 0 N--CA 1.504 2.24 0 CA-C-O 127.891 3.71 . . . . 0.0 117.652 168.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -62.07 -30.07 70.74 Favored 'General case' 0 CA--C 1.608 3.184 1 O-C-N 116.164 -4.085 . . . . 0.0 118.359 166.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -136.97 98.51 10.48 Favored Pre-proline 1 CA--C 1.633 4.165 0 C-N-CA 127.489 2.315 . . . . 0.0 113.688 -156.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.516 0.1 OUTLIER -66.37 -35.26 31.94 Favored 'Trans proline' 0 N--CA 1.512 2.59 2 C-N-CA 131.969 8.446 . . . . 0.0 129.911 -179.294 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.447 7.4 p30 -69.71 -2.82 12.92 Favored 'General case' 0 N--CA 1.503 2.217 0 C-N-CA 128.34 2.656 . . . . 0.0 114.511 -176.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.353 2.6 p -140.57 118.54 9.91 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.141 0 CA-C-O 115.927 -1.987 . . . . 0.0 108.716 -142.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.5 m -88.83 146.84 24.73 Favored 'General case' 0 CA--C 1.597 2.769 0 C-N-CA 130.122 3.369 . . . . 0.0 102.602 174.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -133.35 126.92 32.4 Favored 'General case' 0 C--O 1.266 1.957 0 C-N-CA 130.901 3.68 . . . . 0.0 109.975 -176.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.433 0.4 OUTLIER -149.43 139.8 22.35 Favored 'General case' 0 N--CA 1.533 3.69 0 O-C-N 120.619 -1.3 . . . . 0.0 109.731 -164.215 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -138.36 120.33 15.49 Favored 'General case' 0 CA--C 1.577 2.013 0 N-CA-C 104.98 -2.23 . . . . 0.0 104.98 -156.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.9 t -127.26 119.77 53.4 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.02 0 N-CA-C 101.449 -3.537 . . . . 0.0 101.449 -157.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -63.71 108.22 1.37 Allowed 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 111.923 -2.399 . . . . 0.0 110.7 161.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.262 0.8 OUTLIER -60.05 -37.93 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.916 0 C-N-CA 125.799 1.64 . . . . 0.0 114.781 178.272 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -48.57 -47.86 39.3 Favored 'General case' 0 CA--C 1.565 1.551 0 N-CA-C 119.699 3.222 . . . . 0.0 119.699 168.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -67.28 -34.55 77.63 Favored 'General case' 0 CA--C 1.58 2.114 0 N-CA-C 121.043 3.72 . . . . 0.0 121.043 159.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.6 mt -141.83 61.29 1.46 Allowed 'General case' 0 CA--C 1.59 2.509 0 CA-C-O 125.472 2.558 . . . . 0.0 110.854 -163.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -80.0 -41.18 26.35 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 112.394 -2.184 . . . . 0.0 115.623 172.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.335 . . -54.52 -59.52 4.59 Favored 'General case' 0 CA--C 1.605 3.077 0 CA-C-N 121.455 1.934 . . . . 0.0 114.92 175.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.288 7.7 p -56.65 -57.93 7.48 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.672 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 169.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.25 -45.37 2.9 Favored 'General case' 0 N--CA 1.536 3.867 0 N-CA-C 120.401 3.482 . . . . 0.0 120.401 168.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -54.41 -54.1 45.26 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 127.241 2.216 . . . . 0.0 111.382 168.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.71 -51.22 40.2 Favored 'General case' 0 C--N 1.415 3.443 0 C-N-CA 128.702 2.801 . . . . 0.0 115.207 171.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -55.01 -57.06 13.25 Favored 'General case' 0 CA--C 1.601 2.925 0 CA-C-N 123.973 3.078 . . . . 0.0 109.942 171.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.4 t30 154.73 89.5 0.0 OUTLIER 'General case' 1 N--CA 1.562 5.147 0 O-C-N 127.383 2.927 . . . . 0.0 103.725 155.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 t -151.13 67.71 0.06 OUTLIER 'Isoleucine or valine' 1 N--CA 1.546 4.356 0 CA-C-O 124.652 2.168 . . . . 0.0 107.268 -168.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.34 2.0 pp20? -68.28 -8.53 40.29 Favored 'General case' 0 CA--C 1.599 2.856 0 N-CA-C 120.579 3.548 . . . . 0.0 120.579 149.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.92 139.71 38.11 Favored 'General case' 0 CA--C 1.582 2.186 0 C-N-CA 130.129 3.372 . . . . 0.0 112.523 -165.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.16 121.79 73.98 Favored Pre-proline 0 N--CA 1.532 3.627 0 O-C-N 128.417 3.573 . . . . 0.0 105.373 162.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.429 25.7 Cg_endo -151.94 134.34 0.0 OUTLIER 'Cis proline' 1 N--CA 1.543 4.405 0 N-CA-C 120.181 3.108 . . . . 0.0 120.181 -12.608 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . 0.39 7.3 m -97.97 132.94 43.1 Favored 'General case' 0 C--O 1.176 -2.786 3 CA-C-N 105.508 -5.315 . . . . 0.0 110.935 -154.437 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -111.85 125.1 53.66 Favored 'General case' 0 C--O 1.289 3.15 1 CA-C-N 107.62 -4.355 . . . . 0.0 108.231 162.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.1 mt -123.28 133.66 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.437 1 O-C-N 134.729 7.518 . . . . 0.0 105.803 -176.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -114.73 112.23 22.5 Favored 'General case' 0 CA--C 1.603 2.996 0 N-CA-C 100.352 -3.944 . . . . 0.0 100.352 -165.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.33 118.57 19.6 Favored 'General case' 0 CA--C 1.622 3.731 1 N-CA-C 99.99 -4.078 . . . . 0.0 99.99 -177.044 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.25 45.8 tttt -102.15 174.51 5.89 Favored 'General case' 0 CA--C 1.569 1.702 0 C-N-CA 131.08 3.752 . . . . 0.0 112.277 175.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.268 4.2 p-10 -53.83 45.06 0.0 OUTLIER 'General case' 0 CA--C 1.623 3.76 0 N-CA-C 120.153 3.39 . . . . 0.0 120.153 151.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -173.67 47.1 0.15 Allowed Glycine 1 CA--C 1.601 5.418 0 C-N-CA 125.627 1.584 . . . . 0.0 115.684 176.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.354 9.9 mptt 51.2 -167.42 0.04 OUTLIER 'General case' 0 CA--C 1.596 2.728 0 C-N-CA 127.04 2.136 . . . . 0.0 110.755 -169.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.1 tp -53.46 109.94 0.5 Allowed 'General case' 0 N--CA 1.51 2.575 0 O-C-N 117.764 -3.085 . . . . 0.0 111.698 175.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.53 26.2 m -77.44 -53.13 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.614 0 CA-C-N 108.688 -3.869 . . . . 0.0 112.456 167.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -166.15 172.05 11.67 Favored 'General case' 1 N--CA 1.557 4.893 0 O-C-N 117.684 -3.135 . . . . 0.0 108.659 -172.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -161.97 136.87 7.11 Favored 'General case' 0 CA--C 1.615 3.479 0 CA-C-N 112.215 -2.266 . . . . 0.0 110.475 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 92.7 m -144.31 159.49 42.61 Favored 'General case' 0 CA--C 1.601 2.94 0 C-N-CA 127.13 2.172 . . . . 0.0 107.514 -176.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.324 0.2 OUTLIER -151.72 106.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 100.797 -3.779 . . . . 0.0 100.797 -164.392 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -176.5 -163.45 28.91 Favored Glycine 1 CA--C 1.591 4.799 1 CA-C-O 128.656 4.476 . . . . 0.0 105.93 172.532 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.97 93.8 1.78 Allowed 'General case' 0 CA--C 1.566 1.579 1 CA-C-N 107.368 -4.416 . . . . 0.0 109.353 -176.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -156.06 116.06 3.65 Favored 'General case' 0 C--O 1.182 -2.471 0 CA-C-O 126.601 3.096 . . . . 0.0 106.594 -167.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.291 56.5 pttt -50.77 -51.53 49.54 Favored 'General case' 0 N--CA 1.52 3.042 0 CA-C-N 108.966 -3.743 . . . . 0.0 118.51 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.35 -44.38 25.26 Favored 'General case' 0 C--O 1.289 3.177 0 C-N-CA 125.602 1.561 . . . . 0.0 115.168 170.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -44.66 -56.53 5.64 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 120.244 2.858 . . . . 0.0 120.244 175.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.302 60.9 tp -53.67 -53.23 59.6 Favored Pre-proline 0 CA--C 1.592 2.575 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 174.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -49.01 -48.74 17.21 Favored 'Trans proline' 1 CA--C 1.608 4.183 0 CA-C-N 123.622 2.329 . . . . 0.0 117.604 159.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.334 31.8 m -54.29 -60.5 3.25 Favored 'General case' 0 N--CA 1.532 3.672 0 C-N-CA 124.4 1.08 . . . . 0.0 109.812 -179.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 27.1 tp -50.78 -56.88 10.02 Favored 'General case' 0 CA--C 1.62 3.652 0 C-N-CA 126.573 1.949 . . . . 0.0 114.467 173.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.4 t -55.13 -46.16 77.48 Favored 'Isoleucine or valine' 1 N--CA 1.547 4.415 0 CA-C-O 116.097 -1.906 . . . . 0.0 115.746 171.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.53 -57.52 6.04 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 168.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -53.97 -36.57 63.02 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 117.788 2.514 . . . . 0.0 117.788 169.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.26 7.6 m-70 -65.15 -59.55 3.98 Favored 'General case' 0 C--N 1.379 1.853 0 O-C-N 117.395 -3.316 . . . . 0.0 115.288 170.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.81 -52.07 61.49 Favored 'General case' 0 CA--C 1.601 2.931 0 N-CA-C 116.148 1.907 . . . . 0.0 116.148 170.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 20.4 m -52.53 -45.02 66.11 Favored 'General case' 0 CA--C 1.592 2.56 0 N-CA-C 117.21 2.3 . . . . 0.0 117.21 169.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.625 3.861 0 CA-C-O 125.17 2.414 . . . . 0.0 113.263 169.074 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.706 0 CA-C-O 118.613 -0.708 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -162.33 94.83 0.91 Allowed 'General case' 0 CA--C 1.573 1.829 0 O-C-N 126.065 2.103 . . . . 0.0 107.474 -176.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -175.7 159.95 2.37 Favored 'General case' 0 N--CA 1.539 3.998 0 CA-C-O 124.588 2.137 . . . . 0.0 115.44 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.64 -163.26 10.77 Favored Glycine 0 CA--C 1.557 2.657 2 N-CA-C 99.715 -5.354 . . . . 0.0 99.715 -173.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -152.36 150.58 29.86 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 118.688 -2.654 . . . . 0.0 107.128 -165.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.76 123.44 68.27 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.438 0 CA-C-N 109.534 -3.484 . . . . 0.0 104.364 174.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.52 129.9 64.72 Favored 'Isoleucine or valine' 1 CA--C 1.629 4.006 0 C-N-CA 127.918 2.487 . . . . 0.0 110.649 -175.263 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.27 118.22 13.78 Favored 'General case' 0 CA--C 1.581 2.164 0 N-CA-C 118.17 2.656 . . . . 0.0 118.17 174.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 73.0 m -122.6 135.03 54.51 Favored 'General case' 0 CA--C 1.609 3.214 1 C-N-CA 131.745 4.018 . . . . 0.0 108.793 -167.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -142.67 -24.8 0.64 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 119.454 3.131 . . . . 0.0 119.454 -166.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.7 p -147.86 -166.63 2.58 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.031 -1.668 . . . . 0.0 109.963 -160.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.8 p -57.92 -24.73 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.744 0 CA-C-O 126.04 2.829 . . . . 0.0 116.873 166.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -49.22 -35.84 18.4 Favored 'General case' 0 CA--C 1.581 2.159 1 O-C-N 116.257 -4.027 . . . . 0.0 121.226 166.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.373 0.6 OUTLIER -61.29 -44.34 97.38 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 160.612 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -44.77 -51.39 9.43 Favored 'General case' 0 N--CA 1.527 3.403 0 N-CA-C 117.819 2.526 . . . . 0.0 117.819 168.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -56.44 -39.02 72.43 Favored 'General case' 0 CA--C 1.606 3.119 0 N-CA-C 116.749 2.129 . . . . 0.0 116.749 164.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -73.97 -64.14 1.07 Allowed 'General case' 0 C--O 1.214 -0.786 0 C-N-CA 126.066 1.746 . . . . 0.0 111.526 174.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -49.58 -60.26 3.02 Favored 'General case' 0 N--CA 1.493 1.705 1 N-CA-C 122.434 4.235 . . . . 0.0 122.434 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -55.39 20.46 Favored 'General case' 0 CA--C 1.598 2.82 0 N-CA-C 118.39 2.737 . . . . 0.0 118.39 173.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.592 1.1 mm-40 -61.0 -43.13 99.33 Favored 'General case' 0 N--CA 1.522 3.134 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 175.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.423 31.9 mmtp -59.28 -63.3 1.35 Allowed 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 119.953 3.316 . . . . 0.0 119.953 162.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.76 -68.34 1.15 Allowed Glycine 1 CA--C 1.606 5.733 0 CA-C-N 113.287 -1.779 . . . . 0.0 116.69 177.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm -83.83 88.14 7.1 Favored 'General case' 0 C--O 1.276 2.486 0 CA-C-N 113.284 -1.458 . . . . 0.0 110.518 157.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.26 -35.42 0.17 Allowed Glycine 0 CA--C 1.554 2.51 0 CA-C-N 108.928 -3.76 . . . . 0.0 117.75 169.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.9 m -120.01 139.55 52.33 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 129.919 3.288 . . . . 0.0 104.969 -168.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -72.63 80.4 1.1 Allowed 'General case' 0 N--CA 1.518 2.928 0 CA-C-N 112.041 -2.345 . . . . 0.0 110.644 165.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -167.51 163.68 14.79 Favored 'General case' 0 C--N 1.395 2.584 0 C-N-CA 128.755 2.822 . . . . 0.0 110.532 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.6 tp -86.22 142.38 28.63 Favored 'General case' 0 CA--C 1.585 2.303 0 C-N-CA 127.983 2.513 . . . . 0.0 109.154 161.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.292 0.9 OUTLIER -145.17 126.67 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.615 0 N-CA-C 102.241 -3.244 . . . . 0.0 102.241 -172.425 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 t -129.46 151.79 36.33 Favored 'Isoleucine or valine' 0 C--O 1.259 1.579 0 C-N-CA 130.775 3.63 . . . . 0.0 114.867 -169.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 p -156.36 122.11 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 C-N-CA 126.331 1.852 . . . . 0.0 108.053 -170.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -81.87 108.31 15.29 Favored 'General case' 0 CA--C 1.607 3.168 0 CA-C-N 111.807 -2.451 . . . . 0.0 116.419 157.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -85.43 102.42 13.43 Favored 'General case' 0 CA--C 1.594 2.651 0 C-N-CA 129.284 3.034 . . . . 0.0 105.012 168.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.8 t -151.22 144.71 24.9 Favored 'General case' 0 N--CA 1.515 2.804 0 N-CA-C 103.319 -2.845 . . . . 0.0 103.319 -168.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.262 . . -73.22 151.26 41.51 Favored 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 111.404 -2.635 . . . . 0.0 115.633 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.9 t -56.39 -39.87 73.67 Favored 'General case' 0 N--CA 1.52 3.061 0 O-C-N 117.596 -3.19 . . . . 0.0 118.297 154.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 61.5 p-90 -66.95 61.09 0.05 OUTLIER 'General case' 0 N--CA 1.503 2.206 0 C-N-CA 127.701 2.4 . . . . 0.0 114.476 161.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 28.6 t -156.38 79.96 3.85 Favored Pre-proline 0 C--N 1.406 3.047 0 CA-C-N 112.303 -2.226 . . . . 0.0 110.427 -172.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -52.63 -48.56 21.34 Favored 'Trans proline' 0 N--CA 1.513 2.674 1 C-N-CA 128.904 6.402 . . . . 0.0 114.496 161.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.298 71.9 Cg_exo -44.43 -50.85 7.59 Favored 'Trans proline' 0 C--N 1.39 2.735 0 C-N-CA 124.54 3.493 . . . . 0.0 118.573 168.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' A' ' 38' ' ' CYS 0.347 5.6 m -71.39 -22.06 61.93 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 121.35 3.833 . . . . 0.0 121.35 166.202 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.29 56.8 tttp -63.0 -34.63 77.97 Favored 'General case' 0 CA--C 1.587 2.397 0 CA-C-N 120.376 1.444 . . . . 0.0 113.723 163.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.312 4.3 ptt? -67.92 -49.71 60.26 Favored 'General case' 1 N--CA 1.589 6.484 0 O-C-N 117.718 -3.114 . . . . 0.0 116.991 155.257 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.409 1.0 OUTLIER -50.73 -36.7 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.166 0 N-CA-C 118.392 2.738 . . . . 0.0 118.392 171.791 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.358 . . -44.68 -67.45 0.36 Allowed Pre-proline 0 N--CA 1.523 3.198 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 167.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -43.34 -43.03 10.56 Favored 'Trans proline' 0 C--O 1.252 1.22 1 N-CA-C 124.302 4.693 . . . . 0.0 124.302 156.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.276 38.4 mm -53.18 -63.87 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.604 3.023 0 O-C-N 118.564 -2.585 . . . . 0.0 113.855 167.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -51.33 -27.98 11.05 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 115.69 -2.1 . . . . 0.0 113.224 171.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.14 -48.77 50.1 Favored 'General case' 0 CA--C 1.581 2.166 0 C-N-CA 129.768 3.227 . . . . 0.0 114.663 164.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.279 3.7 tm-20 -49.43 -57.22 7.36 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-N 123.215 2.734 . . . . 0.0 114.404 166.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.87 -48.58 51.25 Favored 'General case' 0 N--CA 1.428 -1.562 0 CA-C-O 115.262 -2.304 . . . . 0.0 116.231 166.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.65 -48.99 28.53 Favored 'General case' 0 CA--C 1.581 2.16 0 N-CA-C 120.263 3.431 . . . . 0.0 120.263 167.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -56.13 -44.57 79.3 Favored 'General case' 0 N--CA 1.508 2.464 0 CA-C-O 115.606 -2.14 . . . . 0.0 115.188 166.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -54.57 -27.27 37.63 Favored 'General case' 1 CA--C 1.646 4.667 0 N-CA-C 119.734 3.235 . . . . 0.0 119.734 169.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -136.2 78.64 45.58 Favored Pre-proline 0 CA--C 1.556 1.18 0 CA-C-N 111.031 -2.804 . . . . 0.0 107.891 -159.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.251 18.5 Cg_endo -63.51 -19.89 68.64 Favored 'Trans proline' 0 CA--C 1.594 3.522 2 C-N-CA 127.913 5.742 . . . . 0.0 126.262 163.255 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.333 8.3 p30 -65.07 -4.54 4.91 Favored 'General case' 0 N--CA 1.531 3.601 0 C-N-CA 127.16 2.184 . . . . 0.0 116.63 173.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.414 3.4 p -145.89 110.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.417 3.515 0 CA-C-N 114.398 -1.274 . . . . 0.0 109.542 -154.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.2 m -67.47 154.49 41.26 Favored 'General case' 0 CA--C 1.578 2.03 0 O-C-N 118.555 -2.59 . . . . 0.0 112.808 160.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -139.0 130.33 26.95 Favored 'General case' 0 C--O 1.267 2.022 1 C-N-CA 131.97 4.108 . . . . 0.0 115.704 178.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.38 0.7 OUTLIER -137.29 157.46 46.57 Favored 'General case' 0 CA--C 1.582 2.173 0 C-N-CA 127.342 2.257 . . . . 0.0 109.891 -170.724 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -153.58 104.73 2.75 Favored 'General case' 0 N--CA 1.504 2.264 1 CA-C-O 128.613 4.054 . . . . 0.0 102.094 -163.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.8 t -80.34 115.49 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.189 1 CA-C-N 107.617 -4.356 . . . . 0.0 111.609 172.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -67.83 105.9 2.11 Favored 'General case' 0 N--CA 1.524 3.252 0 CA-C-O 123.334 1.54 . . . . 0.0 107.871 148.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.387 0.3 OUTLIER -63.83 -14.31 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.218 1 N-CA-C 122.169 4.137 . . . . 0.0 122.169 176.211 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -51.78 -58.7 5.66 Favored 'General case' 0 C--O 1.201 -1.489 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 166.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -64.51 -19.54 65.66 Favored 'General case' 0 CA--C 1.616 3.49 0 CA-C-O 113.989 -2.91 . . . . 0.0 117.141 169.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.5 mt -145.92 40.31 1.16 Allowed 'General case' 0 CA--C 1.582 2.189 0 C-N-CA 127.112 2.165 . . . . 0.0 113.501 -158.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.303 25.5 pttm -63.58 -54.66 32.58 Favored 'General case' 0 CA--C 1.597 2.757 0 C-N-CA 126.931 2.092 . . . . 0.0 116.442 163.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.02 -57.11 2.11 Favored 'General case' 1 N--CA 1.551 4.576 0 O-C-N 117.32 -3.362 . . . . 0.0 112.575 178.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.263 9.9 p -61.42 -48.83 87.06 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.247 0 C-N-CA 128.694 2.798 . . . . 0.0 115.325 170.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.46 -55.97 2.66 Favored 'General case' 0 N--CA 1.511 2.608 0 N-CA-C 116.777 2.14 . . . . 0.0 116.777 170.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -59.68 -52.97 63.21 Favored 'General case' 0 CA--C 1.588 2.418 0 CA-C-N 111.706 -2.497 . . . . 0.0 111.287 173.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -52.1 -50.72 61.06 Favored 'General case' 0 N--CA 1.531 3.577 0 CA-C-N 123.243 2.747 . . . . 0.0 115.453 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.333 5.7 m95 -57.37 -45.67 84.2 Favored 'General case' 0 C--N 1.385 2.144 0 CA-C-N 125.079 3.581 . . . . 0.0 116.951 167.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.2 t30 148.04 90.65 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.08 0 O-C-N 126.349 2.281 . . . . 0.0 105.818 147.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.3 t -146.9 85.17 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 CA-C-O 125.74 2.686 . . . . 0.0 105.49 -170.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.74 3.36 19.61 Favored 'General case' 0 N--CA 1.513 2.718 0 N-CA-C 119.207 3.04 . . . . 0.0 119.207 156.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -160.12 129.63 5.18 Favored 'General case' 0 C--N 1.395 2.568 0 CA-C-O 122.758 1.266 . . . . 0.0 114.022 -169.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.405 ' HA ' ' HA ' ' A' ' 81' ' ' PRO 0.317 0.0 OUTLIER -62.65 116.57 24.42 Favored Pre-proline 0 CA--C 1.612 3.358 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.492 154.896 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -151.58 143.69 0.0 OUTLIER 'Cis proline' 2 CA--C 1.617 4.627 1 N-CA-C 127.848 6.057 . . . . 0.0 127.848 -4.497 . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.8 m -133.33 125.77 29.94 Favored 'General case' 0 C--O 1.256 1.417 0 CA-C-O 125.774 2.702 . . . . 0.0 108.311 -136.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -104.02 130.86 51.7 Favored 'General case' 0 CA--C 1.583 2.218 1 CA-C-N 106.485 -4.87 . . . . 0.0 104.305 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -134.72 143.38 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.635 0 N-CA-C 102.16 -3.274 . . . . 0.0 102.16 -166.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -137.2 116.61 12.76 Favored 'General case' 0 CA--C 1.594 2.668 0 N-CA-C 100.442 -3.91 . . . . 0.0 100.442 -153.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.267 0.2 OUTLIER -128.37 128.63 44.89 Favored 'General case' 0 N--CA 1.511 2.591 0 C-N-CA 129.685 3.194 . . . . 0.0 103.695 -176.094 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -96.89 165.21 12.2 Favored 'General case' 0 C--O 1.194 -1.825 0 CA-C-N 109.148 -3.66 . . . . 0.0 113.148 174.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.253 3.5 p30 -63.9 52.33 0.02 OUTLIER 'General case' 1 N--CA 1.54 4.064 0 O-C-N 119.626 -1.921 . . . . 0.0 114.279 143.827 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -177.08 35.29 0.08 OUTLIER Glycine 0 CA--C 1.575 3.837 0 C-N-CA 128.781 3.086 . . . . 0.0 116.189 174.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.4 mptt 71.54 176.11 0.28 Allowed 'General case' 2 N--CA 1.554 4.774 0 C-N-CA 128.329 2.652 . . . . 0.0 111.189 -177.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . 0.258 19.4 tp -45.94 98.21 0.01 OUTLIER 'General case' 0 C--O 1.29 3.236 1 O-C-N 129.179 4.049 . . . . 0.0 112.197 175.473 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.385 12.0 m -70.9 -71.53 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.266 1.95 0 C-N-CA 126.995 2.118 . . . . 0.0 112.456 172.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . 0.267 5.2 t70 -153.41 177.52 10.81 Favored 'General case' 0 CA--C 1.566 1.593 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -163.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.9 pttm -164.17 159.35 20.13 Favored 'General case' 1 N--CA 1.541 4.12 0 C-N-CA 126.053 1.741 . . . . 0.0 112.557 -174.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 37.9 m -160.72 133.14 6.15 Favored 'General case' 0 CA--C 1.562 1.417 0 N-CA-C 103.024 -2.954 . . . . 0.0 103.024 -177.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.32 1.8 p -113.03 98.45 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.628 3.959 0 C-N-CA 129.675 3.19 . . . . 0.0 108.015 -174.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -176.42 -161.68 25.83 Favored Glycine 1 N--CA 1.534 5.22 0 CA-C-O 123.992 1.885 . . . . 0.0 113.45 172.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -163.16 101.96 0.97 Allowed 'General case' 0 N--CA 1.532 3.635 0 CA-C-N 112.719 -1.741 . . . . 0.0 108.25 -174.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -156.82 128.55 7.16 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 127.548 3.03 . . . . 0.0 106.357 -168.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -56.34 -61.33 2.47 Favored 'General case' 0 CA--C 1.597 2.751 0 C-N-CA 128.447 2.699 . . . . 0.0 116.779 -174.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -71.67 -44.44 64.27 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 118.701 2.852 . . . . 0.0 118.701 157.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -35.83 -53.61 1.14 Allowed Glycine 2 CA--C 1.604 5.627 0 N-CA-C 121.289 3.276 . . . . 0.0 121.289 172.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.293 13.5 tp -60.39 -56.58 33.92 Favored Pre-proline 0 CA--C 1.563 1.46 1 CA-C-O 111.568 -4.063 . . . . 0.0 112.494 168.779 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -48.49 -32.85 21.71 Favored 'Trans proline' 1 CA--C 1.619 4.743 2 CA-C-N 129.892 4.569 . . . . 0.0 117.829 165.841 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 49.1 m -60.81 -62.69 1.68 Allowed 'General case' 0 N--CA 1.519 2.986 0 C-N-CA 125.467 1.507 . . . . 0.0 112.458 172.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.3 tp -51.51 -59.65 4.02 Favored 'General case' 0 CA--C 1.563 1.459 1 O-C-N 129.908 4.505 . . . . 0.0 116.242 175.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.259 91.9 t -48.68 -50.7 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.539 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 167.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.68 -54.06 20.83 Favored 'General case' 0 N--CA 1.51 2.541 0 CA-C-O 123.411 1.577 . . . . 0.0 111.573 174.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . 0.339 88.5 mttt -49.81 -50.13 46.16 Favored 'General case' 0 C--O 1.2 -1.538 0 N-CA-C 120.224 3.416 . . . . 0.0 120.224 166.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -61.95 -46.89 87.29 Favored 'General case' 0 CA--C 1.605 3.059 0 N-CA-C 118.543 2.794 . . . . 0.0 118.543 172.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.3 -54.93 21.86 Favored 'General case' 0 CA--C 1.593 2.611 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.311 11.1 m -53.73 -47.2 70.82 Favored 'General case' 0 N--CA 1.505 2.314 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 171.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.285 2.945 0 C-N-CA 127.758 2.423 . . . . 0.0 112.421 158.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.826 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -146.53 83.87 1.61 Allowed 'General case' 0 C--N 1.373 1.6 0 O-C-N 117.97 -2.956 . . . . 0.0 106.769 -157.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -153.64 153.31 32.06 Favored 'General case' 0 C--O 1.278 2.56 0 CA-C-O 126.037 2.827 . . . . 0.0 116.193 -161.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.11 -166.66 18.6 Favored Glycine 0 C--O 1.253 1.295 0 CA-C-N 112.5 -2.136 . . . . 0.0 112.303 151.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -149.01 110.58 4.49 Favored 'General case' 0 N--CA 1.503 2.204 0 C-N-CA 125.445 1.498 . . . . 0.0 107.3 -169.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.3 t -85.95 112.56 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 C-N-CA 128.324 2.65 . . . . 0.0 108.614 173.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.58 128.03 50.58 Favored 'Isoleucine or valine' 1 CA--C 1.632 4.103 0 O-C-N 117.816 -3.053 . . . . 0.0 106.794 -162.411 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.17 145.28 47.56 Favored 'General case' 0 CA--C 1.581 2.165 0 C-N-CA 126.124 1.77 . . . . 0.0 115.285 166.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 61' ' ' LEU . 96.6 m -150.51 141.88 23.34 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 103.113 -2.921 . . . . 0.0 103.113 -167.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -147.64 -15.17 0.38 Allowed 'General case' 0 CA--C 1.602 2.981 0 N-CA-C 118.074 2.62 . . . . 0.0 118.074 -168.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.1 p -146.08 -173.97 4.31 Favored 'General case' 0 CA--C 1.596 2.723 0 O-C-N 118.311 -2.743 . . . . 0.0 109.706 -154.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.17 -13.52 12.56 Favored 'Isoleucine or valine' 0 CA--C 1.62 3.655 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 160.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.273 18.1 m-20 -60.76 -39.9 90.48 Favored 'General case' 0 CA--C 1.578 2.024 0 N-CA-C 118.063 2.616 . . . . 0.0 118.063 169.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.402 ' HG1' ' HB3' ' A' ' 9' ' ' CYS . 0.6 OUTLIER -62.89 -38.45 90.95 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 118.87 2.915 . . . . 0.0 118.87 163.298 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -47.6 -53.85 13.51 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-O 116.861 -1.542 . . . . 0.0 113.39 160.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -50.49 -33.82 22.76 Favored 'General case' 0 CA--C 1.608 3.2 0 N-CA-C 121.163 3.764 . . . . 0.0 121.163 164.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -76.28 -58.16 3.44 Favored 'General case' 0 CA--C 1.583 2.242 0 C-N-CA 130.706 3.602 . . . . 0.0 115.713 173.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.325 1.8 t-80 -51.75 -62.03 1.88 Allowed 'General case' 0 CA--C 1.571 1.785 0 O-C-N 127.122 2.764 . . . . 0.0 115.689 176.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -67.28 -55.89 12.06 Favored 'General case' 0 CA--C 1.577 1.986 0 O-C-N 127.596 3.06 . . . . 0.0 117.373 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -58.39 -48.89 79.18 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 123.647 2.93 . . . . 0.0 117.122 170.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -53.76 -61.66 2.16 Favored 'General case' 0 N--CA 1.525 3.303 0 O-C-N 118.652 -2.53 . . . . 0.0 115.822 161.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.92 -86.94 0.01 OUTLIER Glycine 0 C--N 1.377 2.848 0 N-CA-C 118.534 2.173 . . . . 0.0 118.534 174.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.69 97.98 3.34 Favored 'General case' 0 CA--C 1.579 2.058 0 O-C-N 127.127 2.31 . . . . 0.0 110.551 157.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.38 -58.96 0.13 Allowed Glycine 0 N--CA 1.488 2.163 0 CA-C-N 111.789 -2.46 . . . . 0.0 107.263 173.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.252 56.0 m -116.24 135.21 54.1 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 130.126 3.371 . . . . 0.0 111.424 -178.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -57.57 77.99 0.01 OUTLIER 'General case' 0 C--N 1.409 3.168 0 C-N-CA 127.984 2.514 . . . . 0.0 111.332 171.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -156.12 145.93 21.15 Favored 'General case' 0 C--O 1.273 2.331 0 C-N-CA 126.428 1.891 . . . . 0.0 108.952 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.0 tp -71.28 153.49 42.36 Favored 'General case' 0 CA--C 1.608 3.182 0 CA-C-O 125.288 2.47 . . . . 0.0 110.815 156.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.326 1.5 pp -149.28 126.41 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.911 0 N-CA-C 102.632 -3.099 . . . . 0.0 102.632 -175.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -136.03 112.09 12.52 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.895 0 C-N-CA 128.829 2.852 . . . . 0.0 103.755 -156.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.305 0.4 OUTLIER -130.07 101.93 6.52 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.31 0 CA-C-N 111.695 -2.502 . . . . 0.0 105.97 -156.727 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -65.66 150.67 48.09 Favored 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 130.316 3.446 . . . . 0.0 110.969 168.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -147.19 96.02 2.65 Favored 'General case' 0 C--O 1.283 2.818 1 N-CA-C 99.844 -4.132 . . . . 0.0 99.844 -174.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.9 t -145.53 154.54 42.3 Favored 'General case' 1 N--CA 1.541 4.097 0 CA-C-O 127.206 3.384 . . . . 0.0 103.469 -173.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.42 145.62 25.21 Favored 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 130.005 3.322 . . . . 0.0 110.999 169.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.8 t -54.63 -38.5 66.91 Favored 'General case' 0 C--O 1.204 -1.323 0 O-C-N 128.966 3.916 . . . . 0.0 118.309 168.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 28.2 p-90 -66.78 78.76 0.12 Allowed 'General case' 0 CA--C 1.58 2.121 0 N-CA-C 117.083 2.253 . . . . 0.0 117.083 162.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.538 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 42.8 t -167.02 89.78 0.75 Allowed Pre-proline 0 C--O 1.267 2.013 0 CA-C-O 117.049 -1.453 . . . . 0.0 110.697 -177.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -48.82 -43.15 35.78 Favored 'Trans proline' 0 CA--C 1.599 3.752 0 N-CA-C 118.029 2.28 . . . . 0.0 118.029 161.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.376 25.8 Cg_exo -40.64 -59.21 0.8 Allowed 'Trans proline' 0 C--N 1.393 2.911 1 N-CA-C 123.05 4.212 . . . . 0.0 123.05 164.426 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.538 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 0.9 OUTLIER -71.35 -14.9 62.34 Favored 'General case' 0 CA--C 1.583 2.214 0 N-CA-C 120.443 3.497 . . . . 0.0 120.443 163.474 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.32 20.8 tttp -57.9 -41.45 82.63 Favored 'General case' 0 CA--C 1.602 2.946 0 N-CA-C 121.344 3.831 . . . . 0.0 121.344 154.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.353 16.6 ptt? -67.82 -40.8 83.78 Favored 'General case' 0 N--CA 1.535 3.812 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 159.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.466 0.9 OUTLIER -56.83 -44.01 81.1 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.2 0 N-CA-C 117.364 2.357 . . . . 0.0 117.364 169.761 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.39 . . -41.29 -60.15 1.92 Allowed Pre-proline 0 N--CA 1.52 3.054 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 170.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -46.54 -47.21 16.02 Favored 'Trans proline' 0 CA--C 1.549 1.236 1 C-N-CA 125.883 4.388 . . . . 0.0 119.465 161.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.371 44.9 mm -54.76 -42.54 62.5 Favored 'Isoleucine or valine' 0 C--N 1.402 2.89 0 C-N-CA 126.516 1.926 . . . . 0.0 115.498 172.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -36.68 82.31 Favored 'General case' 0 N--CA 1.532 3.675 0 C-N-CA 129.757 3.223 . . . . 0.0 113.535 171.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.463 . . -62.3 -52.75 62.42 Favored 'General case' 0 CA--C 1.576 1.942 0 N-CA-C 121.384 3.846 . . . . 0.0 121.384 165.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.6 -57.2 8.75 Favored 'General case' 0 C--O 1.257 1.471 0 N-CA-C 117.263 2.319 . . . . 0.0 117.263 162.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.339 1.5 tm? -48.74 -45.55 39.78 Favored 'General case' 0 CA--C 1.595 2.675 0 N-CA-C 117.898 2.555 . . . . 0.0 117.898 165.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.26 -41.62 50.65 Favored 'General case' 0 CA--C 1.594 2.652 0 CA-C-N 122.667 2.485 . . . . 0.0 117.388 168.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -63.99 -38.56 91.52 Favored 'General case' 0 CA--C 1.58 2.104 0 C-N-CA 128.902 2.881 . . . . 0.0 116.821 169.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -61.16 -38.16 85.47 Favored 'General case' 0 CA--C 1.598 2.808 0 N-CA-C 119.578 3.177 . . . . 0.0 119.578 167.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -129.39 78.35 75.91 Favored Pre-proline 1 CA--C 1.655 5.0 0 CA-C-N 111.557 -2.565 . . . . 0.0 116.093 -156.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -60.37 -20.34 62.67 Favored 'Trans proline' 1 CA--C 1.66 6.808 2 N-CA-C 129.056 6.522 . . . . 0.0 129.056 179.196 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.259 9.8 p30 -81.57 16.07 1.87 Allowed 'General case' 0 C--O 1.187 -2.201 0 C-N-CA 129.967 3.307 . . . . 0.0 118.402 175.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.469 4.3 p -151.64 118.08 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 120.151 -1.593 . . . . 0.0 109.522 -160.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.3 m -85.52 158.52 20.14 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 125.216 2.436 . . . . 0.0 105.497 172.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -150.61 124.83 9.42 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-O 124.763 2.221 . . . . 0.0 108.314 -164.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.481 ' HB2' ' SG ' ' A' ' 9' ' ' CYS 0.417 1.6 pp -146.27 156.15 43.17 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 125.826 2.727 . . . . 0.0 108.236 -170.238 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -146.25 108.94 4.52 Favored 'General case' 0 N--CA 1.507 2.404 0 CA-C-O 124.449 2.071 . . . . 0.0 108.86 -168.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 66.3 t -83.15 120.57 34.69 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.097 0 CA-C-N 110.61 -2.995 . . . . 0.0 107.284 177.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -70.97 106.81 3.79 Favored 'General case' 0 CA--C 1.586 2.347 0 CA-C-N 110.727 -2.942 . . . . 0.0 109.639 159.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.516 HG11 ' SD ' ' A' ' 80' ' ' MET 0.468 0.3 OUTLIER -55.23 -37.68 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 N-CA-C 119.552 3.167 . . . . 0.0 119.552 -179.641 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.77 -40.09 72.15 Favored 'General case' 0 C--O 1.246 0.896 0 C-N-CA 127.51 2.324 . . . . 0.0 112.777 175.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.8 -37.55 87.15 Favored 'General case' 0 C--N 1.365 1.242 0 N-CA-C 121.401 3.852 . . . . 0.0 121.401 165.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 mt -148.32 43.4 1.03 Allowed 'General case' 0 CA--C 1.601 2.925 0 CA-C-O 126.291 2.948 . . . . 0.0 116.535 -162.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -63.49 -46.51 85.82 Favored 'General case' 0 C--O 1.261 1.671 0 CA-C-N 110.421 -3.081 . . . . 0.0 117.937 171.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.14 -62.02 1.76 Allowed 'General case' 0 CA--C 1.599 2.863 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 174.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.365 5.5 p -50.74 -55.08 7.64 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.811 0 N-CA-C 119.406 3.113 . . . . 0.0 119.406 166.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.84 -56.7 10.96 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 113.762 -1.563 . . . . 0.0 113.631 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -54.73 -43.52 72.71 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 112.211 -2.268 . . . . 0.0 111.205 172.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.543 0.0 OUTLIER -41.78 -59.18 1.75 Allowed 'General case' 1 N--CA 1.542 4.156 0 N-CA-C 120.514 3.524 . . . . 0.0 120.514 168.557 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.348 10.0 m95 -53.31 -52.13 60.11 Favored 'General case' 0 CA--C 1.584 2.283 0 O-C-N 126.371 2.295 . . . . 0.0 115.22 166.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 23.7 t30 150.46 77.0 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 131.026 3.73 . . . . 0.0 107.962 151.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . 0.478 39.0 t -98.42 83.35 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.605 3.093 0 C-N-CA 129.314 3.046 . . . . 0.0 111.8 171.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.295 0.0 OUTLIER -63.01 -37.2 86.25 Favored 'General case' 0 N--CA 1.506 2.345 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 160.339 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.59 153.67 42.03 Favored 'General case' 0 C--O 1.258 1.507 0 CA-C-O 126.443 3.021 . . . . 0.0 110.01 -158.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.516 ' SD ' HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -73.61 109.65 7.08 Favored Pre-proline 0 C--N 1.385 2.125 1 CA-C-N 107.606 -4.361 . . . . 0.0 108.702 143.948 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.493 ' HG3' ' SG ' ' A' ' 41' ' ' CYS 0.286 58.8 Cg_endo -153.41 137.15 0.0 OUTLIER 'Cis proline' 0 CA--C 1.592 3.403 0 CA-C-O 129.602 3.918 . . . . 0.0 120.935 -5.164 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 m -101.07 135.56 42.33 Favored 'General case' 1 CA--C 1.661 5.233 2 C-N-CA 132.924 4.49 . . . . 0.0 104.077 -159.601 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -123.21 137.59 54.85 Favored 'General case' 0 C--N 1.399 2.738 0 CA-C-N 108.99 -3.732 . . . . 0.0 103.612 171.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.32 145.55 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 1 CA-C-N 107.948 -4.206 . . . . 0.0 106.982 -167.225 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -134.72 114.42 12.66 Favored 'General case' 0 N--CA 1.522 3.14 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 -154.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.84 120.77 24.18 Favored 'General case' 0 CA--C 1.609 3.242 1 N-CA-C 96.813 -5.255 . . . . 0.0 96.813 -171.803 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.335 50.9 tptt -101.2 177.9 4.81 Favored 'General case' 0 C--O 1.289 3.168 0 C-N-CA 127.526 2.331 . . . . 0.0 113.92 170.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -59.09 37.08 0.01 OUTLIER 'General case' 1 CA--C 1.653 4.937 0 N-CA-C 120.722 3.601 . . . . 0.0 120.722 147.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -159.46 35.31 0.47 Allowed Glycine 0 C--O 1.19 -2.629 0 N-CA-C 118.909 2.324 . . . . 0.0 118.909 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.28 7.8 mptt 68.82 -164.43 0.19 Allowed 'General case' 0 CA--C 1.583 2.218 0 C-N-CA 127.351 2.26 . . . . 0.0 111.244 -169.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.9 tp -69.97 95.9 0.99 Allowed 'General case' 0 C--N 1.398 2.679 0 C-N-CA 129.754 3.222 . . . . 0.0 111.837 173.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.263 20.4 m -70.15 -51.54 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.94 0 O-C-N 119.544 -1.972 . . . . 0.0 114.36 174.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -152.97 163.61 39.5 Favored 'General case' 0 CA--C 1.587 2.367 0 O-C-N 118.96 -2.338 . . . . 0.0 114.853 -161.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -163.18 123.11 2.22 Favored 'General case' 0 CA--C 1.587 2.386 0 O-C-N 125.986 2.054 . . . . 0.0 112.248 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.8 m -149.65 142.5 24.73 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 104.69 -2.337 . . . . 0.0 104.69 -171.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 p -135.24 106.95 7.18 Favored 'Isoleucine or valine' 0 C--N 1.258 -3.374 0 N-CA-C 102.606 -3.109 . . . . 0.0 102.606 -161.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 176.1 -163.26 32.59 Favored Glycine 0 C--N 1.379 2.946 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 170.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . 0.348 . . -165.32 106.73 0.78 Allowed 'General case' 0 N--CA 1.537 3.888 0 CA-C-O 124.203 1.954 . . . . 0.0 109.933 -176.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -155.85 131.17 9.49 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 125.967 1.707 . . . . 0.0 109.589 -175.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.28 50.5 pttt -41.75 -62.67 0.85 Allowed 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 120.444 3.498 . . . . 0.0 120.444 177.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.267 2.5 p-10 -62.21 -50.27 72.44 Favored 'General case' 0 N--CA 1.527 3.421 0 N-CA-C 121.549 3.907 . . . . 0.0 121.549 158.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -38.14 -64.09 0.85 Allowed Glycine 0 CA--C 1.566 3.219 0 N-CA-C 118.528 2.171 . . . . 0.0 118.528 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.307 60.1 tp -53.56 -56.14 27.9 Favored Pre-proline 0 CA--C 1.588 2.438 0 N-CA-C 117.993 2.59 . . . . 0.0 117.993 172.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -40.46 -43.2 4.09 Favored 'Trans proline' 0 CA--C 1.585 3.028 1 C-N-CA 125.304 4.003 . . . . 0.0 121.331 164.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.297 93.3 m -68.47 -49.85 56.76 Favored 'General case' 0 CA--C 1.597 2.766 0 O-C-N 127.938 3.274 . . . . 0.0 118.307 173.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.9 tp -53.65 -47.42 70.36 Favored 'General case' 1 N--CA 1.543 4.214 0 N-CA-C 119.41 3.115 . . . . 0.0 119.41 166.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.363 57.7 t -61.36 -56.36 18.38 Favored 'Isoleucine or valine' 0 C--N 1.386 2.185 0 C-N-CA 130.087 3.355 . . . . 0.0 115.693 173.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.12 -49.81 50.57 Favored 'General case' 0 CA--C 1.582 2.179 0 N-CA-C 118.04 2.607 . . . . 0.0 118.04 169.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -53.27 -37.99 62.65 Favored 'General case' 0 CA--C 1.616 3.488 0 CA-C-O 124.027 1.87 . . . . 0.0 114.366 168.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.522 80.7 m-70 -66.82 -52.65 41.34 Favored 'General case' 0 CA--C 1.577 2.007 1 N-CA-C 123.113 4.486 . . . . 0.0 123.113 167.679 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.63 -37.78 76.65 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 119.565 3.172 . . . . 0.0 119.565 166.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 85.9 m -54.8 -75.28 0.03 OUTLIER 'General case' 1 CA--C 1.633 4.152 0 O-C-N 124.056 0.848 . . . . 0.0 112.315 158.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.971 0 C-N-CA 130.1 3.36 . . . . 0.0 119.082 172.17 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.58 2.109 0 CA-C-O 121.662 0.744 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -153.7 116.73 4.53 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 -169.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.36 12.0 pt-20 -155.41 161.22 41.05 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.474 1.509 . . . . 0.0 110.886 -174.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.99 165.79 37.62 Favored Glycine 1 CA--C 1.582 4.224 0 CA-C-N 111.998 -2.364 . . . . 0.0 114.638 155.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -152.51 117.4 5.12 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 123.897 1.808 . . . . 0.0 108.685 -164.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.4 t -84.48 118.42 31.65 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.705 0 C-N-CA 127.961 2.504 . . . . 0.0 106.312 174.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.274 0.3 OUTLIER -124.33 126.84 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.021 0 C-N-CA 131.022 3.729 . . . . 0.0 108.34 -175.83 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.76 142.82 58.0 Favored 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 121.393 3.849 . . . . 0.0 121.393 165.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.1 m -149.98 128.95 12.59 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 128.061 2.545 . . . . 0.0 108.783 -170.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -143.55 -17.04 0.63 Allowed 'General case' 0 CA--C 1.582 2.211 0 O-C-N 128.893 3.871 . . . . 0.0 115.928 -165.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.0 p -146.41 -175.56 4.83 Favored 'General case' 0 C--N 1.38 1.917 0 C-N-CA 127.741 2.416 . . . . 0.0 113.07 -160.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -52.75 -22.83 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.532 3.662 0 O-C-N 116.849 -3.657 . . . . 0.0 117.686 162.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.278 20.4 m-20 -44.56 -43.67 8.22 Favored 'General case' 0 N--CA 1.514 2.738 0 N-CA-C 118.475 2.768 . . . . 0.0 118.475 159.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.03 -28.3 68.76 Favored 'General case' 0 CA--C 1.578 2.02 0 N-CA-C 119.688 3.218 . . . . 0.0 119.688 163.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -56.65 -48.62 77.17 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 115.129 -2.367 . . . . 0.0 111.115 162.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.359 28.4 mtmt -55.98 -57.54 11.67 Favored 'General case' 0 N--CA 1.509 2.49 0 N-CA-C 118.414 2.746 . . . . 0.0 118.414 164.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -55.3 -65.36 0.6 Allowed 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 127.447 2.299 . . . . 0.0 114.549 177.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -50.0 -57.55 7.34 Favored 'General case' 0 N--CA 1.52 3.074 0 N-CA-C 117.333 2.345 . . . . 0.0 117.333 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.291 2.4 t80 -60.33 -62.77 1.62 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 127.763 3.164 . . . . 0.0 114.786 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.272 13.4 mm-40 -53.2 -50.27 65.03 Favored 'General case' 0 CA--C 1.598 2.805 0 N-CA-C 120.408 3.485 . . . . 0.0 120.408 174.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -58.29 -60.61 3.5 Favored 'General case' 0 CA--C 1.585 2.298 0 CA-C-O 123.882 1.801 . . . . 0.0 114.457 169.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.89 -88.38 0.01 OUTLIER Glycine 0 C--N 1.392 3.664 0 CA-C-N 113.315 -1.766 . . . . 0.0 112.791 176.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -71.74 97.75 1.83 Allowed 'General case' 0 N--CA 1.513 2.697 0 CA-C-N 113.954 -1.123 . . . . 0.0 111.883 158.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.66 -36.8 0.58 Allowed Glycine 0 CA--C 1.578 3.994 0 N-CA-C 118.042 1.977 . . . . 0.0 118.042 160.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.3 m -104.26 134.31 47.71 Favored 'General case' 0 CA--C 1.582 2.2 1 N-CA-C 99.912 -4.107 . . . . 0.0 99.912 176.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.313 8.1 mp0 -67.84 84.31 0.21 Allowed 'General case' 0 N--CA 1.509 2.512 0 CA-C-N 110.568 -3.014 . . . . 0.0 114.208 163.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -164.78 161.6 20.59 Favored 'General case' 0 CA--C 1.601 2.935 0 C-N-CA 128.706 2.802 . . . . 0.0 108.9 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 tp -95.46 144.37 26.02 Favored 'General case' 0 CA--C 1.57 1.718 2 O-C-N 129.716 4.385 . . . . 0.0 105.789 166.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.304 3.3 pt -138.11 144.47 30.61 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 CA-C-N 110.865 -2.88 . . . . 0.0 105.848 179.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.8 t -136.96 141.7 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.582 0 C-N-CA 128.853 2.861 . . . . 0.0 105.302 -169.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.439 2.6 p -144.01 106.35 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 127.105 2.162 . . . . 0.0 114.362 -168.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -65.04 151.04 47.01 Favored 'General case' 1 N--CA 1.552 4.632 0 CA-C-O 125.322 2.487 . . . . 0.0 113.44 152.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -141.17 99.63 3.62 Favored 'General case' 1 N--CA 1.563 5.182 1 N-CA-C 96.833 -5.247 . . . . 0.0 96.833 -173.496 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.0 t -148.92 140.16 23.17 Favored 'General case' 0 C--O 1.291 3.247 1 N-CA-C 99.678 -4.193 . . . . 0.0 99.678 -162.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.261 . . -78.39 154.38 30.77 Favored 'General case' 1 CA--C 1.65 4.811 0 C-N-CA 127.579 2.351 . . . . 0.0 108.68 167.389 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.251 0.2 OUTLIER -55.91 -48.89 74.85 Favored 'General case' 0 C--O 1.279 2.657 0 CA-C-O 124.774 2.226 . . . . 0.0 114.623 170.497 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 44.9 p-90 -66.66 86.53 0.12 Allowed 'General case' 0 CA--C 1.61 3.256 0 CA-C-N 110.392 -3.094 . . . . 0.0 113.905 161.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.9 t -168.0 89.05 0.68 Allowed Pre-proline 0 N--CA 1.5 2.071 0 CA-C-O 116.434 -1.746 . . . . 0.0 111.611 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -51.26 -40.65 60.8 Favored 'Trans proline' 1 CA--C 1.629 5.267 0 N-CA-C 122.09 3.842 . . . . 0.0 122.09 166.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.25 75.2 Cg_exo -53.49 -55.01 3.98 Favored 'Trans proline' 0 N--CA 1.501 1.964 0 C-N-CA 123.215 2.61 . . . . 0.0 117.746 165.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.321 12.5 m -62.59 -20.76 65.04 Favored 'General case' 0 CA--C 1.584 2.261 0 N-CA-C 120.02 3.341 . . . . 0.0 120.02 162.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -57.62 -39.8 77.73 Favored 'General case' 0 CA--C 1.578 2.046 0 O-C-N 118.249 -2.782 . . . . 0.0 116.984 158.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.402 22.7 ptt? -67.55 -53.39 28.82 Favored 'General case' 0 N--CA 1.508 2.468 0 N-CA-C 117.889 2.551 . . . . 0.0 117.889 154.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.366 1.0 OUTLIER -49.44 -31.7 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 1 N-CA-C 122.192 4.145 . . . . 0.0 122.192 172.732 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.311 . . -54.22 -59.05 11.06 Favored Pre-proline 0 CA--C 1.591 2.538 0 C-N-CA 125.184 1.394 . . . . 0.0 113.843 171.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -54.65 -39.5 88.66 Favored 'Trans proline' 0 CA--C 1.586 3.118 0 N-CA-C 122.317 3.93 . . . . 0.0 122.317 160.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.29 47.2 mm -55.23 -54.38 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.293 0 O-C-N 124.862 1.351 . . . . 0.0 112.514 167.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.87 -47.34 8.25 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 118.475 2.769 . . . . 0.0 118.475 170.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.94 92.43 Favored 'General case' 0 CA--C 1.574 1.89 0 N-CA-C 119.696 3.221 . . . . 0.0 119.696 167.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -56.67 -51.49 68.55 Favored 'General case' 0 N--CA 1.537 3.884 0 N-CA-C 117.025 2.232 . . . . 0.0 117.025 164.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.3 2.2 tm? -53.21 -59.43 4.57 Favored 'General case' 0 CA--C 1.571 1.763 0 O-C-N 125.908 2.005 . . . . 0.0 115.461 168.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.75 -44.64 38.77 Favored 'General case' 0 N--CA 1.526 3.351 0 N-CA-C 117.3 2.333 . . . . 0.0 117.3 167.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -50.52 -45.58 56.72 Favored 'General case' 0 N--CA 1.508 2.435 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 163.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -56.66 -31.29 64.25 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 121.24 3.793 . . . . 0.0 121.24 170.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -131.69 95.09 23.88 Favored Pre-proline 0 N--CA 1.519 2.989 0 C-N-CA 128.648 2.779 . . . . 0.0 112.618 -159.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.429 35.8 Cg_endo -66.14 -40.47 15.48 Favored 'Trans proline' 0 CA--C 1.578 2.695 2 C-N-CA 130.712 7.608 . . . . 0.0 125.972 174.544 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -68.36 3.67 1.64 Allowed 'General case' 0 C--O 1.289 3.141 0 C-N-CA 127.7 2.4 . . . . 0.0 114.669 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.36 6.0 p -144.35 118.45 3.34 Favored 'Isoleucine or valine' 0 C--N 1.392 2.427 0 CA-C-O 126.189 2.899 . . . . 0.0 106.099 -155.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.6 m -87.16 155.89 19.92 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-O 128.21 3.862 . . . . 0.0 109.72 165.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -137.93 144.73 41.4 Favored 'General case' 0 C--N 1.361 1.069 0 CA-C-N 111.611 -2.541 . . . . 0.0 109.755 -172.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 pp -158.06 151.58 23.5 Favored 'General case' 0 CA--C 1.581 2.153 0 CA-C-O 124.468 2.08 . . . . 0.0 108.121 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -137.03 109.6 7.46 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 127.106 3.336 . . . . 0.0 105.898 -169.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.5 t -84.93 122.12 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 1 CA-C-N 107.285 -4.507 . . . . 0.0 102.422 174.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -79.01 115.33 18.62 Favored 'General case' 0 CA--C 1.577 1.984 0 O-C-N 116.301 -3.999 . . . . 0.0 105.354 158.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.381 0.3 OUTLIER -58.47 -42.34 84.08 Favored 'Isoleucine or valine' 0 C--N 1.386 2.172 0 C-N-CA 129.515 3.126 . . . . 0.0 114.774 -175.221 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.274 7.5 m-20 -43.95 -60.09 1.99 Allowed 'General case' 1 N--CA 1.545 4.29 0 C-N-CA 126.819 2.048 . . . . 0.0 110.925 179.253 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.96 -18.65 61.09 Favored 'General case' 0 C--O 1.255 1.347 0 N-CA-C 118.997 2.962 . . . . 0.0 118.997 169.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.5 mt -153.72 51.75 0.7 Allowed 'General case' 1 N--CA 1.548 4.451 0 O-C-N 117.4 -3.313 . . . . 0.0 109.749 -159.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.348 9.4 ptpt -67.13 -56.12 11.34 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 118.157 -2.839 . . . . 0.0 118.044 173.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.332 . . -46.32 -57.9 4.19 Favored 'General case' 0 N--CA 1.394 -3.237 0 O-C-N 127.379 2.925 . . . . 0.0 115.436 177.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.432 HG22 ' NE1' ' A' ' 75' ' ' TRP . 5.4 p -52.62 -52.16 29.13 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.139 0 N-CA-C 121.098 3.74 . . . . 0.0 121.098 158.512 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . 0.47 . . -44.6 -54.32 6.23 Favored 'General case' 1 N--CA 1.585 6.282 0 O-C-N 128.298 3.499 . . . . 0.0 118.458 173.555 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -52.53 -48.12 66.26 Favored 'General case' 0 C--N 1.273 -2.756 0 O-C-N 125.904 2.002 . . . . 0.0 112.689 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.456 0.0 OUTLIER -56.21 -42.13 76.71 Favored 'General case' 1 C--O 1.347 6.189 0 O-C-N 117.306 -3.371 . . . . 0.0 117.066 170.388 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.432 ' NE1' HG22 ' A' ' 71' ' ' VAL 0.491 64.4 m95 -48.49 -54.18 15.25 Favored 'General case' 0 C--N 1.401 2.829 0 O-C-N 117.466 -3.271 . . . . 0.0 117.509 163.648 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.275 18.0 t-20 150.77 65.14 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.463 0 N-CA-C 103.893 -2.632 . . . . 0.0 103.893 154.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.495 HG11 ' HG1' ' A' ' 82' ' ' THR . 70.5 t -135.8 94.05 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.536 3.835 2 N-CA-C 97.401 -5.037 . . . . 0.0 97.401 -160.7 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.85 -17.38 60.6 Favored 'General case' 2 N--CA 1.576 5.831 1 N-CA-C 122.96 4.43 . . . . 0.0 122.96 146.358 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -143.4 151.25 40.18 Favored 'General case' 0 CA--C 1.595 2.71 1 CA-C-O 128.582 4.039 . . . . 0.0 114.239 -168.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.3 mmt -102.06 107.64 53.44 Favored Pre-proline 0 C--O 1.285 2.968 0 CA-C-N 109.411 -3.54 . . . . 0.0 110.385 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.33 0.4 OUTLIER -149.65 154.49 0.0 OUTLIER 'Cis proline' 1 CA--C 1.628 5.178 0 CA-C-O 128.567 3.486 . . . . 0.0 119.597 5.081 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.495 ' HG1' HG11 ' A' ' 77' ' ' VAL 0.36 2.8 m -117.68 136.63 53.21 Favored 'General case' 0 CA--C 1.578 2.024 2 CA-C-N 103.153 -6.385 . . . . 0.0 104.01 -141.023 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -135.16 113.85 11.78 Favored 'General case' 0 C--N 1.379 1.886 1 O-C-N 114.604 -5.06 . . . . 0.0 110.739 -176.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 mt -125.82 136.75 59.86 Favored 'Isoleucine or valine' 1 CA--C 1.632 4.133 0 CA-C-N 109.096 -3.683 . . . . 0.0 103.891 -165.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -116.36 120.3 38.42 Favored 'General case' 0 N--CA 1.406 -2.657 1 CA-C-N 108.054 -4.157 . . . . 0.0 107.587 -165.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.43 119.64 12.15 Favored 'General case' 0 N--CA 1.512 2.668 1 N-CA-C 95.102 -5.888 . . . . 0.0 95.102 -166.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.299 70.2 tttt -120.42 178.58 4.61 Favored 'General case' 0 CA--C 1.588 2.428 0 C-N-CA 129.29 3.036 . . . . 0.0 108.368 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -54.54 40.41 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.288 1 N-CA-C 123.894 4.776 . . . . 0.0 123.894 155.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.37 54.48 0.14 Allowed Glycine 0 N--CA 1.499 2.892 0 C-N-CA 125.305 1.431 . . . . 0.0 114.428 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.497 17.4 ttmt 61.81 -165.08 0.23 Allowed 'General case' 0 N--CA 1.528 3.437 0 C-N-CA 126.332 1.853 . . . . 0.0 113.426 -176.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.3 tp -55.39 104.49 0.13 Allowed 'General case' 0 C--O 1.267 2.004 0 C-N-CA 125.916 1.686 . . . . 0.0 115.265 168.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.407 31.6 m -76.19 -51.15 20.61 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.643 0 C-N-CA 130.165 3.386 . . . . 0.0 115.571 173.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -164.69 162.1 21.11 Favored 'General case' 0 C--N 1.403 2.913 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -169.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.87 144.54 21.47 Favored 'General case' 0 C--O 1.248 1.013 0 O-C-N 126.114 2.134 . . . . 0.0 111.49 -171.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.8 m -165.33 151.89 10.15 Favored 'General case' 0 CA--C 1.603 2.988 0 CA-C-O 126.932 3.253 . . . . 0.0 102.377 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.287 0.2 OUTLIER -134.68 101.69 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.801 0 N-CA-C 100.663 -3.829 . . . . 0.0 100.663 -171.127 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 176.14 112.75 0.32 Allowed Glycine 0 CA--C 1.568 3.371 0 CA-C-N 113.933 -1.485 . . . . 0.0 115.579 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.12 106.51 5.01 Favored 'General case' 0 CA--C 1.585 2.297 0 CA-C-O 116.231 -1.843 . . . . 0.0 113.671 170.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -162.06 113.6 1.66 Allowed 'General case' 0 C--N 1.384 2.089 0 N-CA-C 106.074 -1.825 . . . . 0.0 106.074 -173.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.294 38.2 pttt -39.79 -53.37 2.25 Favored 'General case' 0 CA--C 1.576 1.977 1 N-CA-C 124.885 5.143 . . . . 0.0 124.885 175.978 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.343 0.6 OUTLIER -65.64 -49.1 69.9 Favored 'General case' 0 CA--C 1.579 2.096 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 163.168 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -41.95 -68.7 0.66 Allowed Glycine 0 CA--C 1.55 2.255 0 C-N-CA 128.525 2.964 . . . . 0.0 117.67 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.6 tp -49.62 -48.54 76.09 Favored Pre-proline 0 CA--C 1.585 2.32 0 N-CA-C 117.192 2.293 . . . . 0.0 117.192 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -54.77 -41.06 81.59 Favored 'Trans proline' 0 N--CA 1.529 3.593 0 N-CA-C 122.106 3.848 . . . . 0.0 122.106 161.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.8 m -56.48 -56.28 23.24 Favored 'General case' 0 CA--C 1.589 2.467 0 N-CA-C 118.251 2.686 . . . . 0.0 118.251 166.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.1 tp -56.94 -38.04 72.35 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 119.517 3.154 . . . . 0.0 119.517 167.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.485 38.0 t -58.96 -52.04 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.812 0 C-N-CA 127.247 2.219 . . . . 0.0 116.525 165.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.27 -51.71 42.52 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 119.868 3.284 . . . . 0.0 119.868 170.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -55.94 -42.46 76.18 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 165.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.31 28.1 m-70 -60.69 -45.38 94.4 Favored 'General case' 0 C--N 1.4 2.764 1 N-CA-C 123.129 4.492 . . . . 0.0 123.129 166.362 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.2 -47.3 85.85 Favored 'General case' 0 CA--C 1.583 2.242 0 N-CA-C 116.801 2.149 . . . . 0.0 116.801 163.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 90.1 m -53.75 -67.31 0.27 Allowed 'General case' 0 CA--C 1.575 1.91 0 O-C-N 124.071 0.857 . . . . 0.0 112.134 172.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 123.946 1.832 . . . . 0.0 115.026 175.71 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 1.245 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -142.39 108.49 5.22 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 126.535 1.934 . . . . 0.0 106.843 -172.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.286 11.1 pt-20 -154.1 175.42 13.45 Favored 'General case' 0 CA--C 1.558 1.278 0 CA-C-O 124.228 1.966 . . . . 0.0 108.775 -166.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.58 167.22 50.55 Favored Glycine 0 N--CA 1.502 3.09 0 C-N-CA 126.819 2.152 . . . . 0.0 114.16 168.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -151.94 126.41 9.41 Favored 'General case' 0 CA--C 1.57 1.742 0 CA-C-N 112.276 -1.962 . . . . 0.0 106.224 -163.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.282 38.8 t -104.49 119.92 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.962 1 C-N-CA 131.878 4.071 . . . . 0.0 104.176 -177.375 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -135.53 130.99 50.85 Favored 'Isoleucine or valine' 1 N--CA 1.54 4.074 0 C-N-CA 129.686 3.194 . . . . 0.0 105.652 -179.542 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.42 152.94 13.49 Favored 'General case' 0 N--CA 1.515 2.824 0 N-CA-C 117.897 2.554 . . . . 0.0 117.897 153.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.69 ' SG ' HD11 ' A' ' 61' ' ' LEU . 68.9 m -150.41 144.07 25.21 Favored 'General case' 0 CA--C 1.606 3.132 0 CA-C-O 126.473 3.035 . . . . 0.0 108.943 -170.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -137.79 -46.59 0.54 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 119.411 -2.056 . . . . 0.0 116.234 -149.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -145.5 -169.51 3.23 Favored 'General case' 0 CA--C 1.607 3.173 0 C-N-CA 127.319 2.248 . . . . 0.0 113.422 -161.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.4 p -49.48 -18.43 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.533 3.701 0 N-CA-C 119.206 3.039 . . . . 0.0 119.206 156.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -56.22 -44.27 79.4 Favored 'General case' 0 C--N 1.365 1.265 0 O-C-N 117.138 -3.476 . . . . 0.0 115.585 164.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.43 3.8 t -58.6 -32.42 68.98 Favored 'General case' 0 N--CA 1.528 3.466 0 N-CA-C 117.279 2.326 . . . . 0.0 117.279 167.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -51.46 -37.05 46.9 Favored 'General case' 0 N--CA 1.507 2.393 0 N-CA-C 118.215 2.672 . . . . 0.0 118.215 160.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.271 27.6 mtmt -56.88 -59.03 5.65 Favored 'General case' 0 CA--C 1.561 1.396 0 CA-C-O 113.239 -3.267 . . . . 0.0 117.236 156.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -61.39 -64.67 0.87 Allowed 'General case' 0 CA--C 1.585 2.313 0 CA-C-N 121.997 2.18 . . . . 0.0 113.961 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -55.59 -59.76 4.39 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 129.054 2.942 . . . . 0.0 116.158 -178.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.313 1.7 t80 -58.67 -60.51 3.71 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 175.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.261 5.2 mm-40 -47.95 -56.48 7.52 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 120.393 3.479 . . . . 0.0 120.393 173.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -55.35 -60.21 3.72 Favored 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 117.756 2.502 . . . . 0.0 117.756 164.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.05 -86.78 0.01 OUTLIER Glycine 0 CA--C 1.554 2.516 0 N-CA-C 118.763 2.265 . . . . 0.0 118.763 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.508 ' HZ2' ' HE2' ' A' ' 90' ' ' LYS . 17.5 ttmm -69.53 99.17 1.23 Allowed 'General case' 0 CA--C 1.577 2.003 0 CA-C-O 123.713 1.721 . . . . 0.0 111.258 155.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.07 -54.44 0.45 Allowed Glycine 0 CA--C 1.559 2.843 0 CA-C-N 113.058 -1.883 . . . . 0.0 114.484 159.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.3 m -82.24 130.18 35.03 Favored 'General case' 0 CA--C 1.609 3.231 0 O-C-N 128.561 3.153 . . . . 0.0 111.049 171.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -56.75 77.54 0.0 OUTLIER 'General case' 0 CA--C 1.587 2.385 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 162.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -157.89 155.22 29.21 Favored 'General case' 0 CA--C 1.582 2.202 0 C-N-CA 127.712 2.405 . . . . 0.0 108.549 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.273 32.5 tp -76.72 152.48 35.68 Favored 'General case' 0 CA--C 1.606 3.131 0 CA-C-O 125.756 2.693 . . . . 0.0 112.264 152.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.3 pt -145.48 123.85 5.14 Favored 'Isoleucine or valine' 0 CA--C 1.605 3.066 0 N-CA-C 101.011 -3.7 . . . . 0.0 101.011 177.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.9 t -119.85 141.73 38.64 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.019 0 C-N-CA 130.287 3.435 . . . . 0.0 103.796 -177.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.413 6.8 p -151.1 104.56 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.85 0 CA-C-N 113.476 -1.693 . . . . 0.0 109.028 -161.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -58.51 141.69 51.13 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 120.432 3.493 . . . . 0.0 120.432 149.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -131.07 110.04 10.91 Favored 'General case' 0 C--O 1.293 3.381 1 C-N-CA 134.046 4.938 . . . . 0.0 102.158 177.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.414 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 7.2 t -146.71 152.26 38.54 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 103.235 -2.876 . . . . 0.0 103.235 -165.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.25 159.62 20.94 Favored 'General case' 0 N--CA 1.509 2.517 0 C-N-CA 127.156 2.182 . . . . 0.0 115.173 155.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 t -63.16 -43.58 97.89 Favored 'General case' 0 CA--C 1.588 2.414 0 C-N-CA 126.304 1.842 . . . . 0.0 108.433 161.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.297 60.9 p-90 -67.13 67.12 0.07 Allowed 'General case' 0 CA--C 1.613 3.375 0 N-CA-C 117.918 2.562 . . . . 0.0 117.918 162.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.9 t -166.01 89.21 0.88 Allowed Pre-proline 0 N--CA 1.509 2.513 0 O-C-N 121.356 -0.84 . . . . 0.0 108.737 -176.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -54.83 -45.65 39.32 Favored 'Trans proline' 0 CA--C 1.568 2.18 0 C-N-CA 125.151 3.901 . . . . 0.0 118.844 165.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -40.13 -50.53 3.46 Favored 'Trans proline' 1 N--CA 1.564 5.668 0 N-CA-C 122.32 3.931 . . . . 0.0 122.32 162.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.42 5.0 m -69.35 -29.01 66.72 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 117.734 2.494 . . . . 0.0 117.734 164.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.265 57.8 tttp -47.89 -49.73 28.87 Favored 'General case' 0 CA--C 1.581 2.164 0 O-C-N 116.666 -3.771 . . . . 0.0 116.062 161.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.408 3.7 ptt? -60.54 -48.4 81.95 Favored 'General case' 0 CA--C 1.587 2.379 0 CA-C-O 126.016 2.817 . . . . 0.0 118.062 162.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.34 1.0 OUTLIER -55.22 -34.78 33.89 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.547 0 N-CA-C 118.914 2.931 . . . . 0.0 118.914 175.609 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.255 . . -48.56 -60.87 3.82 Favored Pre-proline 0 CA--C 1.584 2.267 0 CA-C-O 115.051 -2.404 . . . . 0.0 114.317 172.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . 0.412 25.8 Cg_exo -53.55 -43.22 59.54 Favored 'Trans proline' 0 CA--C 1.555 1.56 1 C-N-CA 126.098 4.532 . . . . 0.0 118.927 163.405 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.447 29.5 mm -50.16 -56.6 3.44 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.184 0 N-CA-C 121.399 3.851 . . . . 0.0 121.399 162.282 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -54.83 -28.32 48.7 Favored 'General case' 0 N--CA 1.51 2.553 0 C-N-CA 126.467 1.907 . . . . 0.0 113.849 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.93 -45.21 64.61 Favored 'General case' 0 C--O 1.282 2.771 0 N-CA-C 120.652 3.575 . . . . 0.0 120.652 163.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -58.83 -52.4 65.89 Favored 'General case' 0 N--CA 1.516 2.863 0 O-C-N 119.853 -1.78 . . . . 0.0 112.09 166.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.38 -47.09 47.94 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 168.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.74 -45.14 78.06 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 119.542 3.164 . . . . 0.0 119.542 173.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -57.3 -42.7 82.27 Favored 'General case' 0 CA--C 1.563 1.47 0 N-CA-C 115.556 1.688 . . . . 0.0 115.556 166.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.345 33.2 ttmt -51.09 -38.96 54.88 Favored 'General case' 1 CA--C 1.63 4.042 0 N-CA-C 118.706 2.854 . . . . 0.0 118.706 167.855 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . 0.292 2.5 m-85 -134.7 103.88 10.99 Favored Pre-proline 1 CA--C 1.632 4.097 0 O-C-N 125.838 1.961 . . . . 0.0 108.22 -156.618 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.291 44.1 Cg_endo -70.95 -39.16 4.45 Favored 'Trans proline' 0 N--CA 1.526 3.423 2 C-N-CA 129.277 6.651 . . . . 0.0 128.424 167.503 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -57.69 -4.11 0.25 Allowed 'General case' 1 CA--C 1.642 4.494 0 C-N-CA 127.068 2.147 . . . . 0.0 114.192 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.274 3.6 p -144.85 110.66 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.337 0 CA-C-O 125.738 2.685 . . . . 0.0 107.787 -152.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.3 m -65.27 158.15 27.06 Favored 'General case' 0 CA--C 1.606 3.111 0 O-C-N 119.161 -2.212 . . . . 0.0 113.416 164.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -149.44 114.39 5.41 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 117.077 -3.514 . . . . 0.0 109.09 -167.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.69 HD11 ' SG ' ' A' ' 9' ' ' CYS . 1.1 pp -143.74 155.44 44.19 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 126.195 1.798 . . . . 0.0 110.73 -166.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -151.53 121.91 7.32 Favored 'General case' 0 C--O 1.261 1.687 0 CA-C-O 126.236 2.922 . . . . 0.0 108.994 -164.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 70.3 t -94.12 131.41 41.1 Favored 'Isoleucine or valine' 1 CA--C 1.668 5.486 0 C-N-CA 129.273 3.029 . . . . 0.0 108.34 -176.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -75.55 100.73 4.66 Favored 'General case' 0 N--CA 1.512 2.632 0 CA-C-N 112.081 -2.327 . . . . 0.0 110.199 157.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.321 2.9 p -45.46 -42.81 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.446 0 C-N-CA 129.643 3.177 . . . . 0.0 118.341 173.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.462 8.5 m-20 -53.43 -54.38 37.8 Favored 'General case' 0 N--CA 1.533 3.696 0 CA-C-N 120.702 1.592 . . . . 0.0 111.774 169.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.399 42.7 mt-10 -52.21 -31.37 31.58 Favored 'General case' 0 CA--C 1.605 3.093 0 N-CA-C 118.214 2.672 . . . . 0.0 118.214 170.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.6 mt -156.09 64.9 0.57 Allowed 'General case' 0 CA--C 1.624 3.82 0 O-C-N 116.622 -3.799 . . . . 0.0 107.153 -170.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -63.54 -49.2 74.4 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 119.285 3.068 . . . . 0.0 119.285 165.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.92 -63.91 0.97 Allowed 'General case' 1 CA--C 1.636 4.288 0 N-CA-C 119.143 3.016 . . . . 0.0 119.143 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.0 p -59.57 -35.6 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.197 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 164.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.82 -51.34 67.82 Favored 'General case' 0 N--CA 1.515 2.81 0 O-C-N 117.485 -3.259 . . . . 0.0 113.99 170.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -50.88 -50.49 57.07 Favored 'General case' 0 N--CA 1.491 1.609 1 CA-C-O 109.656 -4.973 . . . . 0.0 109.492 172.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.478 0.0 OUTLIER -48.73 -56.77 7.65 Favored 'General case' 0 CA--C 1.617 3.545 0 O-C-N 127.113 2.758 . . . . 0.0 115.644 177.601 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -59.49 -43.57 93.28 Favored 'General case' 0 C--N 1.41 3.197 0 CA-C-O 116.289 -1.815 . . . . 0.0 111.829 176.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.409 28.8 t-20 147.61 86.66 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 113.769 -3.015 . . . . 0.0 107.782 148.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.1 t -145.9 86.86 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.433 1 N-CA-C 98.286 -4.709 . . . . 0.0 98.286 -169.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.306 0.0 OUTLIER -85.24 -9.36 57.84 Favored 'General case' 0 N--CA 1.415 -2.183 0 C-N-CA 129.62 3.168 . . . . 0.0 116.627 148.461 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . 0.338 . . -152.66 143.76 23.1 Favored 'General case' 0 N--CA 1.537 3.879 0 CA-C-O 125.445 2.545 . . . . 0.0 112.008 -170.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.414 ' SD ' ' HA ' ' A' ' 34' ' ' THR . 12.4 mmt -67.82 128.23 93.4 Favored Pre-proline 1 CA--C 1.66 5.181 0 N-CA-C 117.215 2.302 . . . . 0.0 117.215 153.72 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.46 93.5 Cg_endo -143.24 159.33 0.0 OUTLIER 'Cis proline' 0 C--O 1.158 -3.489 1 C-N-CA 117.095 -4.127 . . . . 0.0 116.563 -15.634 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 m -131.32 121.08 24.08 Favored 'General case' 0 C--O 1.271 2.195 1 CA-C-N 107.154 -4.567 . . . . 0.0 111.083 -140.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -99.63 128.44 45.74 Favored 'General case' 0 C--N 1.381 1.945 1 CA-C-O 129.862 4.649 . . . . 0.0 110.748 173.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.257 2.0 mt -128.09 134.8 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.542 0 CA-C-N 109.138 -3.664 . . . . 0.0 108.225 -174.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -123.46 104.88 9.35 Favored 'General case' 0 C--O 1.264 1.831 2 O-C-N 131.819 5.699 . . . . 0.0 101.942 -166.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.98 129.47 49.3 Favored 'General case' 0 C--N 1.382 1.988 1 CA-C-O 129.164 4.316 . . . . 0.0 101.313 -179.195 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.306 52.8 tttt -141.06 169.07 18.31 Favored 'General case' 0 N--CA 1.527 3.399 0 O-C-N 117.555 -3.216 . . . . 0.0 105.826 -172.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -51.76 57.94 0.0 OUTLIER 'General case' 0 C--N 1.392 2.436 1 N-CA-C 122.474 4.249 . . . . 0.0 122.474 163.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 175.59 51.32 0.06 OUTLIER Glycine 0 CA--C 1.556 2.64 0 C-N-CA 128.241 2.829 . . . . 0.0 110.125 167.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.508 ' HE2' ' HZ2' ' A' ' 23' ' ' LYS . 11.5 ttmt 57.81 -160.01 0.25 Allowed 'General case' 0 CA--C 1.618 3.569 0 CA-C-N 122.655 3.228 . . . . 0.0 115.962 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.9 tp -61.48 86.8 0.02 OUTLIER 'General case' 0 CA--C 1.581 2.14 0 C-N-CA 129.152 2.981 . . . . 0.0 118.108 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.271 27.7 m -68.37 -50.56 55.9 Favored 'Isoleucine or valine' 0 CA--C 1.613 3.384 1 CA-C-O 111.489 -4.1 . . . . 0.0 118.191 175.516 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -157.38 164.08 37.91 Favored 'General case' 0 CA--C 1.615 3.448 0 CA-C-N 122.684 2.493 . . . . 0.0 108.053 -166.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.36 144.3 20.72 Favored 'General case' 0 C--O 1.275 2.41 0 O-C-N 126.701 2.5 . . . . 0.0 112.583 -177.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 36.6 m -162.11 111.66 1.5 Allowed 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 103.451 -2.796 . . . . 0.0 103.451 -177.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.25 4.0 p -93.08 97.43 7.17 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.358 0 C-N-CA 130.372 3.469 . . . . 0.0 106.136 176.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 152.88 99.13 0.18 Allowed Glycine 0 C--O 1.29 3.616 0 CA-C-N 112.79 -2.004 . . . . 0.0 112.518 160.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.36 134.25 18.92 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 118.762 2.875 . . . . 0.0 118.762 166.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -153.75 133.22 12.83 Favored 'General case' 0 C--N 1.397 2.647 0 N-CA-C 102.261 -3.237 . . . . 0.0 102.261 -175.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.292 54.3 pttt -50.11 -58.64 5.1 Favored 'General case' 0 CA--C 1.612 3.337 0 N-CA-C 118.577 2.806 . . . . 0.0 118.577 178.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -70.27 -44.53 68.23 Favored 'General case' 0 CA--C 1.614 3.43 0 N-CA-C 118.873 2.916 . . . . 0.0 118.873 168.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -48.85 -43.2 30.23 Favored Glycine 0 C--N 1.344 0.976 0 CA-C-O 125.703 2.835 . . . . 0.0 119.79 177.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.279 37.8 tp -53.41 -68.8 0.4 Allowed Pre-proline 0 CA--C 1.602 2.98 0 O-C-N 117.284 -3.48 . . . . 0.0 109.933 168.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -38.08 -42.3 1.46 Allowed 'Trans proline' 0 C--O 1.214 -0.681 3 C-N-CA 127.564 5.509 . . . . 0.0 124.592 157.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 m -56.79 -60.57 3.37 Favored 'General case' 0 C--O 1.269 2.079 0 N-CA-C 118.303 2.705 . . . . 0.0 118.303 173.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 40.8 tp -58.98 -51.28 70.76 Favored 'General case' 0 CA--C 1.587 2.369 0 C-N-CA 127.706 2.402 . . . . 0.0 116.129 170.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 62.0 t -52.06 -55.6 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 CA-C-N 122.08 2.218 . . . . 0.0 112.55 173.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.79 -41.89 24.59 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 119.992 3.33 . . . . 0.0 119.992 168.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -58.53 -48.11 81.95 Favored 'General case' 0 CA--C 1.6 2.889 0 N-CA-C 117.792 2.516 . . . . 0.0 117.792 158.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.356 4.2 m-70 -59.87 -66.69 0.48 Allowed 'General case' 0 CA--C 1.577 1.986 0 C-N-CA 129.631 3.172 . . . . 0.0 113.543 174.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.0 -51.31 54.24 Favored 'General case' 0 N--CA 1.525 3.277 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 172.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.416 15.6 m -56.85 -89.12 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.525 0 C-N-CA 127.947 2.499 . . . . 0.0 116.933 164.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.91 0 O-C-N 126.337 2.273 . . . . 0.0 113.545 170.792 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.512 2.634 0 CA-C-O 124.108 1.909 . . . . 0.0 112.644 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -139.33 114.16 9.35 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 104.183 -2.525 . . . . 0.0 104.183 -165.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.423 8.2 pt-20 -151.33 154.55 36.93 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 123.952 1.834 . . . . 0.0 115.857 -167.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.6 170.38 13.08 Favored Glycine 0 N--CA 1.507 3.408 0 CA-C-N 110.976 -2.829 . . . . 0.0 117.219 157.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -150.22 108.57 3.78 Favored 'General case' 0 CA--C 1.567 1.602 0 CA-C-O 123.268 1.508 . . . . 0.0 108.361 -165.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.9 t -82.21 126.26 39.93 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 CA-C-N 112.41 -2.177 . . . . 0.0 107.594 173.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.251 0.3 OUTLIER -132.32 129.96 59.95 Favored 'Isoleucine or valine' 0 C--O 1.303 3.919 0 C-N-CA 128.572 2.749 . . . . 0.0 104.052 -177.568 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.93 149.92 49.18 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 119.502 -1.999 . . . . 0.0 115.315 159.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.454 ' SG ' HD11 ' A' ' 61' ' ' LEU . 66.9 m -149.7 125.57 10.51 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-O 125.101 2.381 . . . . 0.0 106.153 -164.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -123.47 -41.0 2.31 Favored 'General case' 0 CA--C 1.618 3.586 0 C-N-CA 130.868 3.667 . . . . 0.0 113.7 -160.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.2 p -149.54 -170.96 3.77 Favored 'General case' 0 CA--C 1.592 2.589 0 C-N-CA 126.749 2.02 . . . . 0.0 108.806 -167.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 p -59.37 -11.14 2.25 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.98 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 172.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.42 -38.96 72.26 Favored 'General case' 0 CA--C 1.586 2.348 1 CA-C-O 110.421 -4.609 . . . . 0.0 115.92 153.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.49 -38.51 59.66 Favored 'General case' 0 CA--C 1.617 3.542 0 CA-C-N 124.745 3.43 . . . . 0.0 115.996 158.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 41.0 m95 -51.4 -52.22 47.86 Favored 'General case' 0 N--CA 1.504 2.239 0 CA-C-N 120.948 1.704 . . . . 0.0 115.332 165.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.357 38.1 mtmt -52.08 -34.67 44.92 Favored 'General case' 0 CA--C 1.606 3.111 1 N-CA-C 121.81 4.004 . . . . 0.0 121.81 163.919 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -73.05 -63.51 1.16 Allowed 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 173.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -59.6 -58.41 8.72 Favored 'General case' 0 N--CA 1.506 2.343 1 C-N-CA 134.496 5.119 . . . . 0.0 119.079 -172.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.301 0.2 OUTLIER -64.52 -53.65 44.64 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 128.025 2.53 . . . . 0.0 116.665 174.024 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -49.14 -53.22 21.89 Favored 'General case' 0 C--O 1.268 2.076 0 N-CA-C 118.704 2.853 . . . . 0.0 118.704 166.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -57.65 -59.23 5.51 Favored 'General case' 0 CA--C 1.614 3.431 0 CA-C-O 123.456 1.598 . . . . 0.0 114.018 169.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.2 -83.79 0.02 OUTLIER Glycine 0 C--O 1.256 1.476 0 CA-C-O 123.576 1.653 . . . . 0.0 116.61 177.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -80.58 92.55 5.95 Favored 'General case' 0 C--N 1.288 -2.089 0 C-N-CA 126.141 1.776 . . . . 0.0 109.562 162.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.39 -31.64 0.23 Allowed Glycine 0 CA--C 1.55 2.224 0 CA-C-N 111.633 -2.53 . . . . 0.0 115.608 167.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.4 m -119.52 136.31 54.4 Favored 'General case' 0 CA--C 1.602 2.963 0 C-N-CA 131.536 3.934 . . . . 0.0 101.994 -167.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -70.08 74.53 0.48 Allowed 'General case' 0 CA--C 1.597 2.785 0 C-N-CA 127.13 2.172 . . . . 0.0 114.304 163.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -156.0 156.22 34.08 Favored 'General case' 0 CA--C 1.585 2.316 0 CA-C-O 125.721 2.677 . . . . 0.0 108.313 -178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 tp -79.15 138.13 37.76 Favored 'General case' 0 CA--C 1.627 3.916 0 CA-C-N 111.52 -2.582 . . . . 0.0 115.615 152.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.433 1.0 OUTLIER -133.71 121.71 41.04 Favored 'Isoleucine or valine' 0 CA--C 1.627 3.941 0 C-N-CA 131.276 3.831 . . . . 0.0 107.039 -177.513 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.4 t -129.65 131.17 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 CA-C-N 111.886 -2.415 . . . . 0.0 105.483 -160.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.28 2.5 p -138.99 104.95 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.318 1 O-C-N 129.804 4.44 . . . . 0.0 115.665 -164.955 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -62.87 148.55 46.84 Favored 'General case' 0 N--CA 1.521 3.124 0 CA-C-O 124.542 2.115 . . . . 0.0 110.172 158.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -144.7 98.11 3.13 Favored 'General case' 0 C--N 1.406 3.06 1 N-CA-C 98.01 -4.811 . . . . 0.0 98.01 -178.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.53 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 8.5 t -153.95 151.68 29.7 Favored 'General case' 0 CA--C 1.585 2.308 0 CA-C-O 128.174 3.845 . . . . 0.0 103.456 -172.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.33 . . -77.36 134.26 38.52 Favored 'General case' 0 C--O 1.296 3.506 1 CA-C-N 108.324 -4.035 . . . . 0.0 116.752 160.887 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.3 t -47.87 -40.48 21.7 Favored 'General case' 0 CA--C 1.567 1.625 0 N-CA-C 118.182 2.66 . . . . 0.0 118.182 169.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 p-90 -68.64 88.55 0.36 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 127.515 3.009 . . . . 0.0 111.288 152.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.9 t -177.09 96.89 0.23 Allowed Pre-proline 0 C--O 1.182 -2.487 0 O-C-N 117.207 -3.433 . . . . 0.0 106.106 176.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -52.21 -48.79 19.94 Favored 'Trans proline' 0 N--CA 1.505 2.17 1 C-N-CA 126.851 5.034 . . . . 0.0 115.163 168.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.321 24.6 Cg_exo -44.73 -45.34 13.57 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 124.651 3.568 . . . . 0.0 118.204 167.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.405 ' SG ' HG22 ' A' ' 44' ' ' ILE 0.601 78.5 m -69.78 -31.63 69.66 Favored 'General case' 0 C--O 1.205 -1.281 1 N-CA-C 123.402 4.593 . . . . 0.0 123.402 165.587 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -57.43 -45.85 84.2 Favored 'General case' 0 N--CA 1.505 2.314 0 N-CA-C 119.596 3.184 . . . . 0.0 119.596 159.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 15.0 ptm -64.17 -48.23 76.79 Favored 'General case' 0 C--N 1.399 2.747 0 CA-C-N 121.678 2.036 . . . . 0.0 113.371 159.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.405 HG22 ' SG ' ' A' ' 41' ' ' CYS 0.588 1.0 OUTLIER -45.77 -38.37 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.742 1 N-CA-C 123.335 4.569 . . . . 0.0 123.335 169.341 . . . . . . . . 5 4 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.74 -54.54 48.22 Favored Pre-proline 0 CA--C 1.614 3.405 0 CA-C-O 114.036 -2.888 . . . . 0.0 117.87 169.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -45.96 -44.26 18.96 Favored 'Trans proline' 0 CA--C 1.583 2.949 0 C-N-CA 124.869 3.712 . . . . 0.0 120.543 153.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.308 28.5 mm -52.16 -57.08 4.32 Favored 'Isoleucine or valine' 1 N--CA 1.55 4.556 0 CA-C-N 122.039 2.2 . . . . 0.0 113.81 163.11 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -44.02 -44.56 7.42 Favored 'General case' 0 N--CA 1.519 2.989 0 N-CA-C 118.792 2.886 . . . . 0.0 118.792 171.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.16 -45.74 76.14 Favored 'General case' 0 CA--C 1.62 3.648 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 168.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -53.9 -52.62 59.95 Favored 'General case' 0 CA--C 1.599 2.828 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 168.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.374 1.4 tm? -62.91 -36.0 81.93 Favored 'General case' 0 C--O 1.192 -1.965 0 C-N-CA 126.22 1.808 . . . . 0.0 113.3 174.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.26 77.61 Favored 'General case' 0 C--N 1.378 1.816 0 O-C-N 118.703 -2.498 . . . . 0.0 117.071 160.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -60.2 -33.04 71.68 Favored 'General case' 0 CA--C 1.605 3.075 0 CA-C-O 114.268 -2.777 . . . . 0.0 117.676 165.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.26 39.3 ttmt -65.63 -30.96 71.74 Favored 'General case' 0 C--O 1.28 2.698 0 C-N-CA 127.703 2.401 . . . . 0.0 116.958 167.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -140.47 97.56 7.48 Favored Pre-proline 0 CA--C 1.625 3.854 0 C-N-CA 127.385 2.274 . . . . 0.0 107.595 -157.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -85.99 -6.21 8.54 Favored 'Trans proline' 0 N--CA 1.497 1.725 2 C-N-CA 132.313 8.676 . . . . 0.0 129.41 170.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.512 HD22 ' HB1' ' A' ' 111' ' ' ALA . 1.7 p30 -76.89 11.57 1.7 Allowed 'General case' 0 N--CA 1.514 2.729 1 O-C-N 116.027 -4.17 . . . . 0.0 117.187 164.9 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.373 3.4 p -149.16 99.78 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.627 3.929 0 CA-C-O 117.112 -1.423 . . . . 0.0 107.961 -151.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.3 m -61.17 151.77 30.46 Favored 'General case' 0 N--CA 1.533 3.691 0 CA-C-O 125.618 2.628 . . . . 0.0 113.004 160.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -138.87 144.03 39.0 Favored 'General case' 0 C--O 1.201 -1.478 0 C-N-CA 127.126 2.171 . . . . 0.0 111.01 -172.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.454 HD11 ' SG ' ' A' ' 9' ' ' CYS 0.306 1.5 pp -155.08 164.86 38.27 Favored 'General case' 0 CA--C 1.628 3.951 0 CA-C-O 124.834 2.254 . . . . 0.0 108.555 -174.476 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.334 10.3 ptmm? -152.91 107.61 3.18 Favored 'General case' 0 CA--C 1.617 3.537 0 CA-C-N 110.617 -2.992 . . . . 0.0 116.892 -168.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.0 t -92.24 119.55 39.93 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.049 0 C-N-CA 130.806 3.642 . . . . 0.0 106.299 -169.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -69.58 105.51 2.69 Favored 'General case' 0 C--O 1.196 -1.719 0 N-CA-C 103.021 -2.955 . . . . 0.0 103.021 163.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.48 HG13 ' SD ' ' A' ' 80' ' ' MET 0.399 1.1 p -52.47 -39.32 28.65 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.265 0 N-CA-C 120.191 3.404 . . . . 0.0 120.191 178.081 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.34 21.5 m-20 -51.6 -54.66 25.39 Favored 'General case' 0 N--CA 1.536 3.831 0 CA-C-N 112.665 -2.061 . . . . 0.0 111.377 175.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -52.58 -26.74 14.23 Favored 'General case' 0 C--O 1.284 2.912 0 N-CA-C 119.414 3.116 . . . . 0.0 119.414 159.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.3 mt -159.02 53.73 0.41 Allowed 'General case' 0 N--CA 1.507 2.417 0 CA-C-N 125.286 3.675 . . . . 0.0 107.867 -160.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -69.4 -50.22 48.05 Favored 'General case' 0 C--N 1.386 2.194 0 CA-C-N 111.172 -2.74 . . . . 0.0 117.477 171.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.2 -60.27 3.41 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 117.077 -3.514 . . . . 0.0 119.296 174.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.667 HG22 ' HE1' ' A' ' 75' ' ' TRP . 11.2 p -50.2 -51.19 18.39 Favored 'Isoleucine or valine' 0 C--O 1.295 3.46 0 N-CA-C 117.936 2.569 . . . . 0.0 117.936 164.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.79 -59.27 2.61 Favored 'General case' 0 C--N 1.389 2.324 0 CA-C-O 115.588 -2.149 . . . . 0.0 112.615 171.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -53.71 -46.08 70.64 Favored 'General case' 0 CA--C 1.597 2.772 1 CA-C-O 109.373 -5.108 . . . . 0.0 112.014 173.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.524 0.0 OUTLIER -51.65 -51.23 57.47 Favored 'General case' 0 C--O 1.205 -1.243 1 N-CA-C 124.055 4.835 . . . . 0.0 124.055 171.947 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.667 ' HE1' HG22 ' A' ' 71' ' ' VAL 0.321 31.7 m95 -50.95 -53.22 34.83 Favored 'General case' 0 N--CA 1.527 3.38 0 CA-C-O 112.553 -3.594 . . . . 0.0 116.113 162.499 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 149.69 82.04 0.0 OUTLIER 'General case' 0 CA--C 1.579 2.064 1 O-C-N 130.31 4.756 . . . . 0.0 105.623 150.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . 0.263 61.6 t -130.2 78.72 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 126.521 2.388 . . . . 0.0 109.479 -174.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.312 8.4 pt-20 -71.85 -12.42 61.27 Favored 'General case' 0 N--CA 1.516 2.86 0 N-CA-C 120.942 3.682 . . . . 0.0 120.942 158.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.26 145.49 26.23 Favored 'General case' 0 CA--C 1.576 1.969 0 CA-C-N 114.492 -1.231 . . . . 0.0 113.98 -163.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.53 ' SD ' ' HA ' ' A' ' 34' ' ' THR 0.398 12.2 mmt -73.78 121.96 86.44 Favored Pre-proline 0 C--O 1.305 3.993 0 CA-C-O 113.071 -3.347 . . . . 0.0 105.017 167.742 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.302 67.6 Cg_endo -151.97 150.9 0.0 OUTLIER 'Cis proline' 0 CA--C 1.603 3.971 1 CA-C-O 131.488 4.704 . . . . 0.0 118.619 -17.846 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.9 m -120.43 130.64 54.42 Favored 'General case' 0 CA--C 1.621 3.69 1 CA-C-O 130.591 4.996 . . . . 0.0 105.118 -137.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -119.49 109.67 16.0 Favored 'General case' 0 CA--C 1.61 3.264 0 C-N-CA 130.601 3.56 . . . . 0.0 105.151 -174.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.372 2.7 mt -106.31 137.7 35.41 Favored 'Isoleucine or valine' 1 CA--C 1.64 4.439 0 CA-C-N 109.646 -3.434 . . . . 0.0 106.452 -172.323 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -130.7 105.8 8.05 Favored 'General case' 0 CA--C 1.581 2.162 0 N-CA-C 101.99 -3.337 . . . . 0.0 101.99 -158.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.77 128.18 24.44 Favored 'General case' 0 CA--C 1.571 1.754 0 O-C-N 118.471 -2.643 . . . . 0.0 104.684 -167.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -127.4 175.32 8.3 Favored 'General case' 0 C--N 1.293 -1.854 1 C-N-CA 133.144 4.577 . . . . 0.0 115.624 -172.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -53.56 55.53 0.0 OUTLIER 'General case' 1 N--CA 1.561 5.091 0 O-C-N 120.04 -1.663 . . . . 0.0 114.211 150.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.85 22.95 0.06 OUTLIER Glycine 1 CA--C 1.601 5.435 0 CA-C-O 116.124 -2.486 . . . . 0.0 111.186 177.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.417 ' HG2' ' H ' ' A' ' 91' ' ' LEU 0.556 12.4 ttmt 65.7 -167.15 0.22 Allowed 'General case' 0 CA--C 1.592 2.567 0 CA-C-N 122.269 3.034 . . . . 0.0 117.146 -160.587 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.417 ' H ' ' HG2' ' A' ' 90' ' ' LYS . 55.6 tp -59.44 101.37 0.1 Allowed 'General case' 0 C--O 1.295 3.486 0 CA-C-O 126.618 3.104 . . . . 0.0 113.051 172.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.384 11.1 m -74.96 -40.23 45.31 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.289 0 N-CA-C 119.801 3.26 . . . . 0.0 119.801 171.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -165.33 171.13 13.86 Favored 'General case' 0 CA--C 1.615 3.476 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -171.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.96 137.69 12.15 Favored 'General case' 0 C--N 1.368 1.391 0 CA-C-N 113.742 -1.572 . . . . 0.0 109.69 -173.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.3 m -166.98 141.68 3.99 Favored 'General case' 0 C--O 1.262 1.73 0 N-CA-C 100.629 -3.841 . . . . 0.0 100.629 177.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.33 96.37 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.169 1 CA-C-N 108.121 -4.127 . . . . 0.0 109.534 -171.026 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.37 106.99 0.19 Allowed Glycine 0 CA--C 1.552 2.384 0 CA-C-N 111.097 -2.774 . . . . 0.0 116.347 171.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.27 120.1 10.92 Favored 'General case' 0 N--CA 1.505 2.281 0 C-N-CA 125.47 1.508 . . . . 0.0 113.41 168.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -164.06 125.95 2.35 Favored 'General case' 0 C--N 1.394 2.535 0 N-CA-C 103.497 -2.779 . . . . 0.0 103.497 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.368 57.3 pttt -43.41 -51.11 6.7 Favored 'General case' 0 CA--C 1.596 2.738 1 N-CA-C 122.06 4.096 . . . . 0.0 122.06 -179.357 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.366 2.3 p30 -74.9 -51.92 12.59 Favored 'General case' 0 C--O 1.271 2.228 0 C-N-CA 127.324 2.25 . . . . 0.0 116.404 173.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -51.07 -48.7 45.55 Favored Glycine 0 C--N 1.365 2.162 0 N-CA-C 118.532 2.173 . . . . 0.0 118.532 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.288 44.9 tp -54.82 -53.16 63.93 Favored Pre-proline 0 CA--C 1.607 3.137 0 C-N-CA 126.364 1.866 . . . . 0.0 114.936 175.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -45.48 -51.18 8.32 Favored 'Trans proline' 0 C--N 1.413 3.971 0 N-CA-C 120.516 3.237 . . . . 0.0 120.516 157.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.255 90.5 m -50.19 -50.93 47.8 Favored 'General case' 0 CA--C 1.622 3.744 0 CA-C-O 113.66 -3.067 . . . . 0.0 117.64 164.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.255 41.4 tp -52.55 -60.83 2.76 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 117.618 2.451 . . . . 0.0 117.618 168.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.3 t -49.7 -50.52 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.274 0 N-CA-C 121.252 3.797 . . . . 0.0 121.252 167.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.84 -53.4 32.56 Favored 'General case' 0 C--O 1.195 -1.812 0 O-C-N 118.826 -2.421 . . . . 0.0 114.23 168.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -47.33 -48.87 25.16 Favored 'General case' 0 C--N 1.408 3.124 0 O-C-N 119.537 -1.977 . . . . 0.0 113.016 162.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.513 16.1 m-70 -56.97 -64.16 0.97 Allowed 'General case' 0 C--N 1.382 2.009 0 N-CA-C 119.585 3.18 . . . . 0.0 119.585 174.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.512 ' HB1' HD22 ' A' ' 57' ' ' ASN . . . -51.64 -41.05 61.04 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 128.848 3.842 . . . . 0.0 118.818 169.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.0 m -55.35 -55.05 36.0 Favored 'General case' 0 N--CA 1.523 3.219 0 CA-C-O 114.364 -2.731 . . . . 0.0 112.131 165.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 125.91 2.767 . . . . 0.0 118.327 166.825 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.358 0 CA-C-O 121.843 0.83 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -155.97 140.6 16.95 Favored 'General case' 0 C--O 1.242 0.689 0 O-C-N 128.187 3.429 . . . . 0.0 110.592 -177.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -161.8 162.41 29.48 Favored 'General case' 0 N--CA 1.5 2.031 1 CA-C-O 129.249 4.357 . . . . 0.0 112.221 -171.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.91 165.22 53.1 Favored Glycine 0 N--CA 1.48 1.624 0 CA-C-N 110.521 -3.036 . . . . 0.0 108.864 164.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -145.61 110.89 5.31 Favored 'General case' 0 CA--C 1.589 2.442 0 CA-C-N 110.308 -2.946 . . . . 0.0 105.748 -161.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.3 t -83.72 131.3 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 C-N-CA 127.533 2.333 . . . . 0.0 111.13 167.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.543 HD11 ' HE2' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -133.45 117.32 27.33 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.807 0 N-CA-C 102.619 -3.104 . . . . 0.0 102.619 -170.04 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.28 137.9 57.85 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 118.722 -2.486 . . . . 0.0 113.936 165.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.4 m -141.36 147.31 37.86 Favored 'General case' 0 C--O 1.188 -2.182 0 C-N-CA 129.336 3.054 . . . . 0.0 108.666 -160.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -147.37 -52.2 0.2 Allowed 'General case' 0 N--CA 1.519 3.025 0 O-C-N 120.176 -1.577 . . . . 0.0 112.398 -155.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 p -137.53 -166.41 1.94 Allowed 'General case' 0 CA--C 1.591 2.544 0 C-N-CA 127.535 2.334 . . . . 0.0 111.278 -155.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 p -54.65 -20.07 4.86 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.979 0 N-CA-C 118.33 2.715 . . . . 0.0 118.33 160.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -56.22 -39.37 72.37 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 117.719 -3.113 . . . . 0.0 118.436 164.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.397 0.6 OUTLIER -60.2 -39.4 86.42 Favored 'General case' 0 CA--C 1.579 2.067 0 N-CA-C 118.497 2.777 . . . . 0.0 118.497 158.493 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -50.94 -41.64 59.19 Favored 'General case' 0 CA--C 1.577 2.017 0 O-C-N 128.003 3.314 . . . . 0.0 116.218 171.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -64.49 -40.86 96.46 Favored 'General case' 0 CA--C 1.582 2.196 1 N-CA-C 122.136 4.125 . . . . 0.0 122.136 160.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.543 ' HE2' HD11 ' A' ' 7' ' ' ILE . 33.3 mt-10 -58.27 -58.85 6.68 Favored 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 116.786 2.143 . . . . 0.0 116.786 169.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -58.37 -59.64 5.03 Favored 'General case' 0 C--O 1.201 -1.489 1 C-N-CA 131.845 4.058 . . . . 0.0 116.119 -177.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.383 85.8 t80 -57.48 -55.86 29.36 Favored 'General case' 0 N--CA 1.522 3.148 0 N-CA-C 120.347 3.462 . . . . 0.0 120.347 172.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -56.94 -53.69 55.13 Favored 'General case' 0 N--CA 1.514 2.753 0 O-C-N 126.348 2.28 . . . . 0.0 114.135 171.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.277 27.1 mmtp -54.44 -62.25 1.78 Allowed 'General case' 0 N--CA 1.51 2.556 0 CA-C-N 123.051 2.66 . . . . 0.0 112.6 167.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -37.59 -95.99 0.01 OUTLIER Glycine 1 CA--C 1.587 4.58 0 C-N-CA 128.603 3.002 . . . . 0.0 113.129 176.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -74.84 99.18 3.7 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 123.445 1.593 . . . . 0.0 109.173 162.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.65 -26.54 0.46 Allowed Glycine 1 CA--C 1.584 4.371 0 CA-C-O 126.159 3.088 . . . . 0.0 116.801 159.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.6 m -123.31 118.33 27.3 Favored 'General case' 0 CA--C 1.571 1.784 0 C-N-CA 131.623 3.969 . . . . 0.0 107.517 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.264 1.8 mp0 -59.16 70.31 0.01 OUTLIER 'General case' 1 N--CA 1.539 4.001 0 CA-C-N 110.073 -3.24 . . . . 0.0 113.779 176.069 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -158.26 155.95 29.82 Favored 'General case' 0 C--N 1.29 -2.02 0 CA-C-O 125.135 2.398 . . . . 0.0 105.073 -177.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 tp -71.35 150.57 44.96 Favored 'General case' 0 C--O 1.197 -1.682 0 C-N-CA 126.767 2.027 . . . . 0.0 110.579 154.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.251 1.4 pt -142.08 132.47 24.69 Favored 'Isoleucine or valine' 0 C--O 1.265 1.912 0 N-CA-C 101.216 -3.624 . . . . 0.0 101.216 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -138.28 129.7 37.42 Favored 'Isoleucine or valine' 1 N--CA 1.54 4.038 0 O-C-N 117.891 -3.006 . . . . 0.0 102.937 -167.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.335 2.6 p -140.84 111.55 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.166 0 CA-C-O 125.221 2.438 . . . . 0.0 110.138 -159.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -76.47 108.16 9.25 Favored 'General case' 0 N--CA 1.499 2.003 0 C-N-CA 128.911 2.885 . . . . 0.0 111.464 167.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -87.31 114.01 23.54 Favored 'General case' 0 N--CA 1.509 2.489 0 O-C-N 125.827 1.954 . . . . 0.0 108.961 156.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.711 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 11.4 t -153.79 155.27 35.53 Favored 'General case' 0 CA--C 1.56 1.359 0 CA-C-N 111.514 -2.585 . . . . 0.0 104.371 -175.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.07 146.53 25.45 Favored 'General case' 0 C--N 1.251 -3.693 0 C-N-CA 129.825 3.25 . . . . 0.0 108.788 173.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -42.41 -46.32 4.66 Favored 'General case' 1 N--CA 1.573 5.712 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 171.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 -72.3 89.4 1.21 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.705 2.002 . . . . 0.0 113.125 166.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.8 t -165.68 82.01 1.1 Allowed Pre-proline 0 N--CA 1.488 1.474 0 C-N-CA 128.243 2.617 . . . . 0.0 109.1 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -53.62 -42.69 63.95 Favored 'Trans proline' 0 CA--C 1.554 1.485 0 C-N-CA 123.735 2.957 . . . . 0.0 118.922 167.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -51.24 -58.88 1.38 Allowed 'Trans proline' 1 C--N 1.416 4.131 0 C-N-CA 125.26 3.973 . . . . 0.0 112.194 163.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.299 62.8 m -55.46 -21.86 18.07 Favored 'General case' 0 C--O 1.272 2.251 0 N-CA-C 120.989 3.7 . . . . 0.0 120.989 162.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -53.81 -56.62 15.93 Favored 'General case' 0 CA--C 1.564 1.497 0 O-C-N 116.833 -3.667 . . . . 0.0 111.048 162.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.374 2.1 ptt? -64.03 -40.65 96.79 Favored 'General case' 0 N--CA 1.535 3.78 0 N-CA-C 118.59 2.811 . . . . 0.0 118.59 161.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.344 1.0 OUTLIER -56.9 -35.53 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.697 0 O-C-N 117.655 -3.153 . . . . 0.0 116.36 169.336 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.394 . . -50.33 -57.31 13.35 Favored Pre-proline 0 C--N 1.383 2.035 0 O-C-N 119.282 -2.137 . . . . 0.0 115.569 166.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -49.16 -43.76 35.69 Favored 'Trans proline' 1 CA--C 1.62 4.814 0 C-N-CA 124.508 3.472 . . . . 0.0 117.437 162.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.361 30.3 mm -50.16 -64.04 0.35 Allowed 'Isoleucine or valine' 1 N--CA 1.543 4.187 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 162.695 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.285 3.1 t80 -41.81 -49.65 4.39 Favored 'General case' 0 CA--C 1.57 1.718 0 CA-C-O 112.455 -3.64 . . . . 0.0 116.784 169.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.72 -52.17 63.3 Favored 'General case' 0 CA--C 1.565 1.522 1 N-CA-C 123.957 4.799 . . . . 0.0 123.957 160.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.384 15.1 tt0 -50.89 -56.34 12.73 Favored 'General case' 1 N--CA 1.545 4.279 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 171.269 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.257 1.9 tm? -54.86 -42.26 71.79 Favored 'General case' 0 CA--C 1.585 2.321 0 N-CA-C 118.233 2.679 . . . . 0.0 118.233 169.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.7 -53.19 19.82 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 118.472 -2.643 . . . . 0.0 112.686 161.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -55.13 -38.26 67.97 Favored 'General case' 0 N--CA 1.529 3.517 0 N-CA-C 120.812 3.634 . . . . 0.0 120.812 169.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.299 36.7 ttmt -61.83 -35.12 77.31 Favored 'General case' 0 CA--C 1.616 3.51 0 N-CA-C 116.693 2.109 . . . . 0.0 116.693 173.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -128.46 100.77 22.05 Favored Pre-proline 0 CA--C 1.6 2.89 0 C-N-CA 127.248 2.219 . . . . 0.0 106.928 -158.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.255 25.0 Cg_endo -65.95 -26.4 51.41 Favored 'Trans proline' 1 CA--C 1.67 7.313 2 C-N-CA 129.729 6.952 . . . . 0.0 126.358 171.126 . . . . . . . . 4 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -74.38 2.56 9.12 Favored 'General case' 0 CA--C 1.609 3.237 0 C-N-CA 128.09 2.556 . . . . 0.0 116.966 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.446 HG23 ' CZ ' ' A' ' 60' ' ' PHE . 1.5 p -147.18 115.34 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.612 3.335 0 CA-C-O 124.325 2.012 . . . . 0.0 109.108 -157.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.2 m -73.28 156.05 38.86 Favored 'General case' 0 CA--C 1.581 2.155 0 CA-C-O 124.594 2.14 . . . . 0.0 112.987 164.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.446 ' CZ ' HG23 ' A' ' 58' ' ' VAL . 74.2 m-85 -145.79 130.13 17.69 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-O 124.165 1.936 . . . . 0.0 110.909 -168.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.426 0.4 OUTLIER -148.03 144.97 28.28 Favored 'General case' 1 N--CA 1.555 4.802 0 CA-C-O 126.556 3.074 . . . . 0.0 109.932 -170.187 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.272 10.9 ptmm? -145.27 119.87 9.77 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 126.546 3.07 . . . . 0.0 110.284 -162.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.7 t -122.15 121.12 63.17 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.429 0 C-N-CA 129.821 3.248 . . . . 0.0 113.189 -160.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -59.48 101.69 0.11 Allowed 'General case' 0 C--N 1.363 1.193 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.009 156.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.271 1.4 p -59.79 -36.23 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.091 0 C-N-CA 131.167 3.787 . . . . 0.0 117.518 170.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.341 2.4 m-20 -46.72 -47.11 20.6 Favored 'General case' 0 CA--C 1.586 2.352 1 O-C-N 115.935 -4.228 . . . . 0.0 119.28 163.61 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.37 -22.84 65.55 Favored 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 118.949 2.944 . . . . 0.0 118.949 169.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.9 mt -149.3 56.58 1.0 Allowed 'General case' 0 N--CA 1.488 1.438 0 O-C-N 118.452 -2.655 . . . . 0.0 113.268 -168.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.328 2.4 ptpt -81.05 -50.74 9.29 Favored 'General case' 0 CA--C 1.615 3.471 0 C-N-CA 127.991 2.516 . . . . 0.0 111.605 176.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.271 . . -48.83 -51.33 30.1 Favored 'General case' 0 N--CA 1.513 2.721 0 N-CA-C 118.496 2.776 . . . . 0.0 118.496 175.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.2 p -66.82 -43.69 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.5 0 CA-C-O 115.134 -2.365 . . . . 0.0 115.182 167.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.38 -56.48 4.19 Favored 'General case' 0 C--O 1.271 2.21 0 CA-C-N 125.441 3.746 . . . . 0.0 116.081 169.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -50.38 -57.31 8.25 Favored 'General case' 0 CA--C 1.575 1.927 0 CA-C-N 110.334 -3.121 . . . . 0.0 110.017 173.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.387 0.1 OUTLIER -44.25 -50.13 9.0 Favored 'General case' 0 C--O 1.275 2.426 0 O-C-N 128.526 3.641 . . . . 0.0 119.178 176.521 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -67.31 -31.83 72.4 Favored 'General case' 0 N--CA 1.499 1.989 1 N-CA-C 123.502 4.63 . . . . 0.0 123.502 166.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.598 10.4 t-20 146.84 78.58 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.911 0 CA-C-O 122.935 1.35 . . . . 0.0 112.886 149.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.2 t -149.19 112.93 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.518 2.939 0 O-C-N 118.538 -2.602 . . . . 0.0 109.133 -163.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -104.04 -24.01 13.26 Favored 'General case' 0 CA--C 1.614 3.43 0 CA-C-N 110.958 -2.837 . . . . 0.0 108.968 169.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -151.89 148.35 27.68 Favored 'General case' 0 C--N 1.407 3.107 0 CA-C-N 123.525 2.875 . . . . 0.0 103.48 -154.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.711 ' SD ' ' HA ' ' A' ' 34' ' ' THR . 33.8 mmt -73.66 131.48 82.08 Favored Pre-proline 0 CA--C 1.595 2.689 0 CA-C-O 114.692 -2.575 . . . . 0.0 109.621 166.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -142.97 144.64 0.0 OUTLIER 'Cis proline' 0 C--O 1.194 -1.701 1 N-CA-C 124.986 4.956 . . . . 0.0 124.986 -18.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -122.52 129.82 52.38 Favored 'General case' 1 N--CA 1.54 4.072 1 CA-C-N 107.107 -4.588 . . . . 0.0 110.034 -136.911 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -119.71 122.38 41.32 Favored 'General case' 1 N--CA 1.567 5.418 1 N-CA-C 93.598 -6.445 . . . . 0.0 93.598 -167.911 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.54 137.21 55.95 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.955 1 CA-C-N 107.537 -4.392 . . . . 0.0 102.226 -178.544 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -126.04 101.07 6.62 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 101.976 -3.342 . . . . 0.0 101.976 -158.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.19 122.19 29.24 Favored 'General case' 0 CA--C 1.607 3.15 0 N-CA-C 100.911 -3.736 . . . . 0.0 100.911 -172.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.32 31.9 tttp -110.54 -176.21 2.92 Favored 'General case' 0 CA--C 1.623 3.753 0 CA-C-O 124.854 2.264 . . . . 0.0 105.402 178.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -64.64 58.21 0.02 OUTLIER 'General case' 0 CA--C 1.578 2.028 0 CA-C-N 110.71 -2.95 . . . . 0.0 115.501 152.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.02 38.5 0.13 Allowed Glycine 0 C--N 1.381 3.052 0 O-C-N 117.216 -3.427 . . . . 0.0 108.288 175.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.444 3.6 ttmt 48.69 -162.55 0.03 OUTLIER 'General case' 0 N--CA 1.525 3.3 1 N-CA-C 122.129 4.122 . . . . 0.0 122.129 -159.566 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.6 tp -60.25 99.08 0.07 Allowed 'General case' 0 N--CA 1.505 2.322 0 C-N-CA 131.144 3.778 . . . . 0.0 108.525 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.36 16.0 m -76.9 -50.97 19.88 Favored 'Isoleucine or valine' 1 N--CA 1.544 4.245 1 CA-C-O 109.652 -4.975 . . . . 0.0 110.807 168.586 . . . . . . . . 4 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.08 167.48 4.92 Favored 'General case' 0 CA--C 1.628 3.98 1 CA-C-N 127.982 4.901 . . . . 0.0 112.692 -175.123 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.89 151.94 36.74 Favored 'General case' 0 N--CA 1.513 2.707 1 CA-C-O 129.461 4.458 . . . . 0.0 111.431 -172.41 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.1 m -158.17 98.3 1.57 Allowed 'General case' 0 C--O 1.257 1.497 0 O-C-N 118.404 -2.685 . . . . 0.0 107.163 -175.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.73 99.86 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.628 3.966 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 163.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 164.34 99.24 0.14 Allowed Glycine 0 CA--C 1.561 2.907 0 CA-C-O 114.153 -3.582 . . . . 0.0 112.981 164.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -50.75 115.63 1.59 Allowed 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 127.895 2.478 . . . . 0.0 117.443 165.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -160.5 114.98 2.19 Favored 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 104.987 -2.227 . . . . 0.0 104.987 -171.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -48.57 -45.1 37.29 Favored 'General case' 0 C--N 1.291 -1.978 1 N-CA-C 122.104 4.113 . . . . 0.0 122.104 -174.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.338 3.1 p-10 -79.18 -49.27 12.82 Favored 'General case' 0 CA--C 1.612 3.363 0 C-N-CA 126.777 2.031 . . . . 0.0 110.414 167.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -45.95 -57.01 6.4 Favored Glycine 0 N--CA 1.508 3.456 1 N-CA-C 124.634 4.614 . . . . 0.0 124.634 175.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.256 52.7 tp -50.74 -55.85 23.74 Favored Pre-proline 0 CA--C 1.57 1.713 0 N-CA-C 119.625 3.194 . . . . 0.0 119.625 168.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.3 -28.33 52.3 Favored 'Trans proline' 0 CA--C 1.569 2.269 1 C-N-CA 125.563 4.175 . . . . 0.0 122.216 162.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 61.9 m -53.57 -57.69 9.82 Favored 'General case' 0 N--CA 1.519 3.011 0 C-N-CA 125.875 1.67 . . . . 0.0 114.717 161.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.405 54.4 tp -57.11 -46.76 82.34 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 120.922 3.675 . . . . 0.0 120.922 173.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 39.2 t -59.68 -42.64 89.2 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.484 0 N-CA-C 116.786 2.143 . . . . 0.0 116.786 163.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.87 -53.31 59.4 Favored 'General case' 0 N--CA 1.523 3.187 0 C-N-CA 128.412 2.685 . . . . 0.0 113.221 173.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -53.94 -49.61 68.31 Favored 'General case' 0 N--CA 1.482 1.137 1 N-CA-C 122.009 4.077 . . . . 0.0 122.009 164.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -55.84 -52.98 62.14 Favored 'General case' 0 C--N 1.403 2.894 0 N-CA-C 118.295 2.702 . . . . 0.0 118.295 161.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -45.72 -49.01 15.16 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 126.386 2.304 . . . . 0.0 116.125 172.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 29.5 m -55.06 -64.78 0.73 Allowed 'General case' 0 C--O 1.249 1.037 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 170.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 121.006 3.706 . . . . 0.0 121.006 174.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 124.004 1.859 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -170.17 135.26 1.3 Allowed 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 113.193 -1.821 . . . . 0.0 108.95 177.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.369 6.9 pt-20 -161.56 168.7 23.07 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-O 124.998 2.333 . . . . 0.0 109.374 -175.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.1 170.62 19.7 Favored Glycine 0 N--CA 1.506 3.316 0 CA-C-N 113.34 -1.754 . . . . 0.0 114.205 165.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -152.43 113.14 4.14 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 103.827 -2.657 . . . . 0.0 103.827 -172.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.1 t -77.06 131.62 34.44 Favored 'Isoleucine or valine' 0 CA--C 1.627 3.904 0 C-N-CA 127.431 2.292 . . . . 0.0 105.901 166.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.363 0.3 OUTLIER -130.51 131.7 64.95 Favored 'Isoleucine or valine' 0 C--N 1.368 1.405 0 C-N-CA 128.075 2.55 . . . . 0.0 108.835 -178.167 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.58 142.51 57.46 Favored 'General case' 0 CA--C 1.574 1.903 0 CA-C-O 124.906 2.289 . . . . 0.0 115.285 163.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.3 m -148.23 134.41 19.37 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 117.792 -3.068 . . . . 0.0 111.399 -170.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . 0.391 30.9 m80 -134.11 -38.21 0.87 Allowed 'General case' 0 CA--C 1.605 3.076 0 CA-C-N 110.797 -2.91 . . . . 0.0 117.517 -155.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.7 p -144.98 -170.51 3.43 Favored 'General case' 0 C--O 1.193 -1.912 0 CA-C-O 125.741 2.686 . . . . 0.0 111.412 -158.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 p -53.95 -19.76 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.34 0 N-CA-C 119.726 3.232 . . . . 0.0 119.726 157.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.91 -43.87 63.58 Favored 'General case' 0 C--N 1.403 2.911 0 O-C-N 117.8 -3.062 . . . . 0.0 115.096 162.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.404 0.6 OUTLIER -56.96 -38.23 72.67 Favored 'General case' 0 N--CA 1.523 3.216 0 C-N-CA 125.183 1.393 . . . . 0.0 114.541 170.166 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -51.79 -46.9 64.38 Favored 'General case' 0 N--CA 1.523 3.176 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 164.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -51.71 -62.19 1.78 Allowed 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 159.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -52.79 -63.03 1.28 Allowed 'General case' 0 N--CA 1.52 3.041 0 N-CA-C 118.374 2.731 . . . . 0.0 118.374 174.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -53.41 -62.59 1.55 Allowed 'General case' 1 N--CA 1.549 4.493 0 C-N-CA 128.408 2.683 . . . . 0.0 113.444 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.6 1.1 t80 -59.05 -60.33 4.04 Favored 'General case' 0 C--N 1.287 -2.125 0 C-N-CA 128.237 2.615 . . . . 0.0 113.826 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.362 13.3 mm-40 -51.04 -59.99 3.57 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 176.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -52.76 -63.04 1.28 Allowed 'General case' 0 N--CA 1.506 2.335 0 O-C-N 118.024 -2.923 . . . . 0.0 112.479 166.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -35.8 -84.77 0.01 OUTLIER Glycine 0 CA--C 1.565 3.166 0 N-CA-C 120.14 2.816 . . . . 0.0 120.14 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -79.33 107.91 12.44 Favored 'General case' 0 CA--C 1.576 1.953 0 CA-C-O 127.084 3.326 . . . . 0.0 108.71 151.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.46 -38.78 0.36 Allowed Glycine 1 CA--C 1.618 6.521 0 CA-C-N 110.531 -3.031 . . . . 0.0 115.355 168.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.7 m -126.3 128.77 47.65 Favored 'General case' 0 C--O 1.267 1.983 0 O-C-N 127.922 2.778 . . . . 0.0 105.939 -166.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -62.77 77.51 0.02 OUTLIER 'General case' 0 CA--C 1.58 2.114 0 CA-C-O 128.081 3.801 . . . . 0.0 118.035 165.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -162.08 176.99 10.13 Favored 'General case' 0 CA--C 1.588 2.409 1 CA-C-N 108.138 -4.119 . . . . 0.0 112.081 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.9 tp -110.65 151.12 28.06 Favored 'General case' 0 C--O 1.264 1.863 0 C-N-CA 130.198 3.399 . . . . 0.0 107.234 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.299 1.7 pt -151.15 134.02 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 129.292 3.037 . . . . 0.0 107.212 -175.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.7 t -132.26 136.76 55.87 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.28 0 O-C-N 127.881 3.238 . . . . 0.0 103.488 -161.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.44 3.3 p -152.47 106.74 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 117.106 -3.496 . . . . 0.0 112.38 -161.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -65.14 126.78 29.18 Favored 'General case' 0 N--CA 1.406 -2.667 0 CA-C-O 125.205 2.431 . . . . 0.0 113.304 161.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -110.99 111.43 22.54 Favored 'General case' 0 CA--C 1.577 2.009 0 N-CA-C 100.831 -3.766 . . . . 0.0 100.831 169.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.8 t -157.84 145.19 18.3 Favored 'General case' 0 CA--C 1.608 3.181 0 CA-C-O 125.019 2.343 . . . . 0.0 107.334 -172.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.35 130.4 35.15 Favored 'General case' 0 C--N 1.262 -3.236 0 CA-C-N 108.885 -3.78 . . . . 0.0 106.28 174.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.6 t -46.93 -42.24 17.37 Favored 'General case' 0 CA--C 1.587 2.381 0 C-N-CA 125.64 1.576 . . . . 0.0 114.584 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -70.96 88.73 0.76 Allowed 'General case' 0 C--O 1.276 2.464 0 C-N-CA 128.68 2.792 . . . . 0.0 109.173 160.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.8 t -171.44 91.89 0.44 Allowed Pre-proline 0 CA--C 1.595 2.684 0 CA-C-N 110.121 -3.218 . . . . 0.0 109.464 174.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -52.54 -40.24 72.85 Favored 'Trans proline' 1 CA--C 1.604 4.012 0 N-CA-C 118.761 2.562 . . . . 0.0 118.761 158.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.308 34.4 Cg_exo -42.38 -61.45 0.53 Allowed 'Trans proline' 0 C--N 1.399 3.23 0 C-N-CA 124.833 3.689 . . . . 0.0 120.349 160.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.415 76.3 m -58.66 -38.83 78.99 Favored 'General case' 0 C--N 1.362 1.143 1 N-CA-C 122.253 4.168 . . . . 0.0 122.253 161.611 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -43.78 -43.16 5.97 Favored 'General case' 0 CA--C 1.604 3.032 0 N-CA-C 118.675 2.843 . . . . 0.0 118.675 166.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.331 21.5 ptt? -70.15 -41.55 73.7 Favored 'General case' 0 CA--C 1.578 2.027 0 C-N-CA 125.248 1.419 . . . . 0.0 113.435 166.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.397 1.1 tp -52.97 -39.9 34.46 Favored 'Isoleucine or valine' 0 C--O 1.266 1.972 0 O-C-N 117.947 -2.97 . . . . 0.0 117.165 168.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.473 . . -44.53 -59.1 4.29 Favored Pre-proline 1 CA--C 1.649 4.757 0 O-C-N 118.367 -2.708 . . . . 0.0 113.109 166.043 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -54.15 -38.52 87.73 Favored 'Trans proline' 0 CA--C 1.576 2.59 0 N-CA-C 120.536 3.245 . . . . 0.0 120.536 159.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.622 29.8 mm -55.55 -53.72 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 118.532 -2.605 . . . . 0.0 116.945 165.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.291 8.3 t80 -54.01 -51.03 65.25 Favored 'General case' 0 N--CA 1.51 2.53 0 C-N-CA 126.848 2.059 . . . . 0.0 112.369 171.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.267 . . -51.09 -52.32 44.74 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 121.249 3.796 . . . . 0.0 121.249 168.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -52.93 -54.67 31.47 Favored 'General case' 0 CA--C 1.591 2.533 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 169.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.4 -44.99 69.14 Favored 'General case' 0 CA--C 1.597 2.785 0 C-N-CA 126.506 1.922 . . . . 0.0 115.999 170.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.52 -37.41 49.14 Favored 'General case' 0 CA--C 1.562 1.43 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 165.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . 0.277 94.0 mttt -61.57 -46.91 87.88 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 117.597 2.443 . . . . 0.0 117.597 164.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -53.53 -37.28 62.67 Favored 'General case' 0 CA--C 1.599 2.851 0 N-CA-C 119.656 3.206 . . . . 0.0 119.656 171.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -129.89 104.17 17.08 Favored Pre-proline 0 CA--C 1.577 1.992 0 C-N-CA 129.252 3.021 . . . . 0.0 108.533 -153.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.453 12.3 Cg_endo -71.51 -39.84 3.38 Favored 'Trans proline' 0 CA--C 1.581 2.845 2 C-N-CA 130.646 7.564 . . . . 0.0 126.587 171.792 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.282 10.3 p30 -63.89 10.5 0.05 Allowed 'General case' 0 N--CA 1.527 3.406 0 N-CA-C 118.61 2.818 . . . . 0.0 118.61 174.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.354 4.3 p -148.27 113.06 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.589 2.447 0 C-N-CA 123.564 0.746 . . . . 0.0 110.19 -158.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.1 m -73.63 153.6 40.09 Favored 'General case' 0 C--N 1.379 1.884 0 CA-C-O 128.474 3.988 . . . . 0.0 106.879 161.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -139.84 136.55 34.12 Favored 'General case' 0 N--CA 1.515 2.818 1 CA-C-O 129.164 4.316 . . . . 0.0 104.731 -175.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.395 0.5 OUTLIER -152.5 157.64 41.42 Favored 'General case' 0 CA--C 1.598 2.805 0 CA-C-N 110.52 -3.036 . . . . 0.0 108.153 -172.369 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -156.48 112.76 3.04 Favored 'General case' 0 N--CA 1.502 2.156 0 CA-C-O 124.363 2.03 . . . . 0.0 105.945 -166.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.8 t -88.07 119.59 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 C-N-CA 130.11 3.364 . . . . 0.0 110.704 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -65.14 107.47 1.56 Allowed 'General case' 0 C--O 1.299 3.668 0 O-C-N 125.513 1.758 . . . . 0.0 113.509 156.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.281 0.4 OUTLIER -56.69 -37.88 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 119.185 3.032 . . . . 0.0 119.185 178.69 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.81 -40.56 55.85 Favored 'General case' 0 N--CA 1.529 3.507 0 N-CA-C 119.588 3.181 . . . . 0.0 119.588 168.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.3 24.9 mt-10 -67.15 -32.91 74.35 Favored 'General case' 0 CA--C 1.598 2.816 1 N-CA-C 121.87 4.026 . . . . 0.0 121.87 162.26 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.9 mt -152.28 66.33 0.83 Allowed 'General case' 0 C--N 1.387 2.201 0 CA-C-O 125.339 2.495 . . . . 0.0 109.19 -164.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -93.47 -37.64 11.84 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 110.77 -2.923 . . . . 0.0 108.75 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.55 -68.1 0.23 Allowed 'General case' 0 C--O 1.274 2.375 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 170.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.305 4.2 p -46.3 -58.9 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.603 2.993 0 N-CA-C 120.994 3.702 . . . . 0.0 120.994 160.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.24 -51.76 2.69 Favored 'General case' 0 C--N 1.388 2.268 0 N-CA-C 118.531 2.789 . . . . 0.0 118.531 174.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.487 ' HB2' ' HE2' ' A' ' 73' ' ' GLU . 41.0 mt-10 -54.67 -50.31 68.54 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 113.818 -2.991 . . . . 0.0 114.927 168.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.513 1.1 pt-20 -44.2 -52.14 7.63 Favored 'General case' 0 C--N 1.41 3.224 0 N-CA-C 118.966 2.95 . . . . 0.0 118.966 172.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -59.3 -53.79 54.21 Favored 'General case' 0 CA--C 1.613 3.38 0 O-C-N 125.302 1.626 . . . . 0.0 113.541 174.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 155.87 88.53 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 127.133 2.771 . . . . 0.0 107.565 158.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.508 HG13 ' HG1' ' A' ' 82' ' ' THR . 8.7 t -151.98 74.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.372 1.563 0 CA-C-O 128.271 3.891 . . . . 0.0 101.062 -174.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -68.6 -6.21 24.37 Favored 'General case' 0 C--N 1.404 2.94 2 N-CA-C 125.311 5.3 . . . . 0.0 125.311 140.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.92 141.65 27.98 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-O 125.015 2.34 . . . . 0.0 107.495 -158.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.402 ' CE ' ' HA ' ' A' ' 80' ' ' MET . 28.6 mmt -96.27 112.71 60.65 Favored Pre-proline 1 CA--C 1.636 4.286 0 C-N-CA 131.423 3.889 . . . . 0.0 104.485 175.075 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.328 62.5 Cg_endo -153.7 149.12 0.0 OUTLIER 'Cis proline' 0 C--O 1.274 2.277 0 N-CA-C 121.411 3.581 . . . . 0.0 121.411 3.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.508 ' HG1' HG13 ' A' ' 77' ' ' VAL . 11.8 m -123.09 138.66 54.61 Favored 'General case' 0 C--O 1.183 -2.432 0 C-N-CA 130.809 3.644 . . . . 0.0 114.249 -142.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -127.53 121.42 30.62 Favored 'General case' 0 CA--C 1.623 3.787 1 N-CA-C 100.02 -4.067 . . . . 0.0 100.02 -163.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.449 2.2 mt -128.35 135.74 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.85 3 O-C-N 129.584 4.303 . . . . 0.0 108.989 -166.116 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -135.89 107.54 6.99 Favored 'General case' 0 CA--C 1.623 3.753 1 N-CA-C 100.019 -4.067 . . . . 0.0 100.019 -153.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.58 127.16 30.71 Favored 'General case' 0 N--CA 1.499 1.983 1 N-CA-C 98.577 -4.601 . . . . 0.0 98.577 -170.608 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -130.37 -175.43 3.64 Favored 'General case' 0 CA--C 1.589 2.455 0 CA-C-N 109.576 -3.465 . . . . 0.0 104.677 -169.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -65.78 46.96 0.03 OUTLIER 'General case' 1 CA--C 1.675 5.751 0 N-CA-C 116.531 2.049 . . . . 0.0 116.531 163.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 176.89 51.4 0.06 OUTLIER Glycine 0 C--N 1.293 -1.825 0 CA-C-N 112.942 -1.936 . . . . 0.0 113.179 172.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.452 7.0 ttmt 55.25 -162.09 0.15 Allowed 'General case' 0 N--CA 1.526 3.362 0 N-CA-C 117.923 2.564 . . . . 0.0 117.923 -173.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.3 tp -56.1 97.94 0.02 OUTLIER 'General case' 0 C--N 1.273 -2.733 0 CA-C-O 124.705 2.193 . . . . 0.0 109.954 175.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.422 4.6 m -69.27 -43.37 81.33 Favored 'Isoleucine or valine' 0 C--O 1.254 1.32 1 N-CA-C 123.219 4.525 . . . . 0.0 123.219 163.046 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.55 161.77 29.98 Favored 'General case' 1 N--CA 1.572 5.635 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 -172.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.33 139.21 11.77 Favored 'General case' 0 C--N 1.384 2.101 0 CA-C-O 123.217 1.484 . . . . 0.0 107.62 -171.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.2 m -154.9 157.26 37.52 Favored 'General case' 0 N--CA 1.502 2.159 0 N-CA-C 102.205 -3.257 . . . . 0.0 102.205 -172.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 82' ' ' THR . 1.9 p -151.69 102.26 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.611 3.308 0 N-CA-C 102.389 -3.189 . . . . 0.0 102.389 -169.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 160.79 112.88 0.3 Allowed Glycine 0 N--CA 1.508 3.439 0 CA-C-O 114.694 -3.281 . . . . 0.0 107.681 162.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.94 124.78 15.09 Favored 'General case' 0 C--N 1.382 2.019 0 O-C-N 126.844 2.144 . . . . 0.0 115.897 166.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -160.75 125.52 3.68 Favored 'General case' 0 C--N 1.376 1.731 0 C-N-CA 125.975 1.71 . . . . 0.0 111.349 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.416 19.9 pttt -39.68 -66.1 0.33 Allowed 'General case' 0 N--CA 1.531 3.608 1 N-CA-C 122.23 4.159 . . . . 0.0 122.23 165.225 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.4 -47.83 84.39 Favored 'General case' 0 C--N 1.376 1.754 0 C-N-CA 125.697 1.599 . . . . 0.0 114.365 171.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -39.35 -76.55 0.08 OUTLIER Glycine 0 CA--C 1.576 3.85 0 C-N-CA 129.037 3.208 . . . . 0.0 117.914 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.253 28.4 tp -52.01 -50.65 77.28 Favored Pre-proline 0 N--CA 1.508 2.471 1 N-CA-C 123.319 4.563 . . . . 0.0 123.319 174.031 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -45.27 -40.74 16.93 Favored 'Trans proline' 0 N--CA 1.528 3.535 0 N-CA-C 118.06 2.292 . . . . 0.0 118.06 157.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.0 m -67.03 -54.27 23.27 Favored 'General case' 1 N--CA 1.551 4.624 0 C-N-CA 127.079 2.152 . . . . 0.0 113.815 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.268 55.5 tp -53.74 -51.36 63.59 Favored 'General case' 0 C--O 1.196 -1.759 0 C-N-CA 127.697 2.399 . . . . 0.0 116.387 171.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 79.6 t -58.84 -51.73 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.532 3.669 0 C-N-CA 125.532 1.533 . . . . 0.0 110.699 168.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.3 -48.97 6.87 Favored 'General case' 0 C--O 1.264 1.828 0 CA-C-N 122.314 2.325 . . . . 0.0 117.224 170.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -59.13 -42.58 90.94 Favored 'General case' 0 C--O 1.196 -1.744 1 N-CA-C 122.721 4.341 . . . . 0.0 122.721 165.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.328 4.7 m-70 -63.01 -61.35 2.45 Favored 'General case' 0 N--CA 1.532 3.626 0 N-CA-C 119.266 3.061 . . . . 0.0 119.266 172.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.93 -35.81 81.9 Favored 'General case' 0 N--CA 1.525 3.296 1 N-CA-C 124.011 4.819 . . . . 0.0 124.011 171.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.273 29.8 m -60.45 -49.58 76.98 Favored 'General case' 1 CA--C 1.633 4.158 0 O-C-N 118.669 -2.519 . . . . 0.0 114.169 157.615 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.382 2.012 0 CA-C-O 127.574 3.559 . . . . 0.0 118.897 162.314 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 123.256 1.503 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -159.71 120.34 3.09 Favored 'General case' 0 CA--C 1.559 1.32 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 -176.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -161.2 166.82 27.21 Favored 'General case' 0 CA--C 1.573 1.842 0 CA-C-O 124.903 2.287 . . . . 0.0 109.927 -168.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.94 177.54 52.06 Favored Glycine 0 C--N 1.368 2.354 0 CA-C-N 110.468 -3.06 . . . . 0.0 114.478 165.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -152.22 117.6 5.29 Favored 'General case' 0 N--CA 1.521 3.109 0 N-CA-C 102.504 -3.147 . . . . 0.0 102.504 -160.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.6 t -98.55 119.33 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 CA-C-N 111.275 -2.693 . . . . 0.0 110.151 174.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.259 0.3 OUTLIER -130.79 129.66 63.99 Favored 'Isoleucine or valine' 0 CA--C 1.628 3.959 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 -171.377 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.23 138.39 57.64 Favored 'General case' 0 CA--C 1.553 1.074 0 O-C-N 127.766 3.166 . . . . 0.0 114.285 164.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 68.4 m -138.7 143.5 39.16 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 111.459 -2.609 . . . . 0.0 107.617 -172.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -134.61 -38.01 0.83 Allowed 'General case' 0 CA--C 1.586 2.356 0 CA-C-N 109.242 -3.617 . . . . 0.0 113.878 -156.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.7 p -152.32 -166.73 2.56 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 117.86 -3.025 . . . . 0.0 108.815 -162.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.6 p -51.68 -16.66 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.528 3.473 0 N-CA-C 117.49 2.404 . . . . 0.0 117.49 160.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.37 -47.1 37.58 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 118.472 2.768 . . . . 0.0 118.472 156.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.385 0.9 OUTLIER -56.21 -42.93 78.01 Favored 'General case' 1 N--CA 1.54 4.049 0 N-CA-C 117.804 2.52 . . . . 0.0 117.804 166.596 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -53.73 -38.98 64.9 Favored 'General case' 0 CA--C 1.626 3.903 0 O-C-N 125.31 1.632 . . . . 0.0 113.531 171.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -66.2 -51.86 53.62 Favored 'General case' 0 CA--C 1.608 3.207 0 CA-C-N 121.155 1.798 . . . . 0.0 112.618 161.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.65 -64.23 0.88 Allowed 'General case' 0 CA--C 1.58 2.098 0 N-CA-C 119.57 3.174 . . . . 0.0 119.57 173.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -53.06 -57.41 10.48 Favored 'General case' 0 C--O 1.263 1.797 0 C-N-CA 126.259 1.824 . . . . 0.0 115.529 177.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -58.77 -54.09 51.05 Favored 'General case' 0 N--CA 1.539 3.995 0 CA-C-O 116.602 -1.666 . . . . 0.0 114.124 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -55.91 -49.49 73.31 Favored 'General case' 0 N--CA 1.534 3.758 0 C-N-CA 127.916 2.486 . . . . 0.0 112.799 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -56.77 -61.82 2.17 Favored 'General case' 0 N--CA 1.525 3.279 0 C-N-CA 125.349 1.46 . . . . 0.0 113.318 167.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.37 -89.3 0.01 OUTLIER Glycine 0 N--CA 1.492 2.398 0 CA-C-O 127.037 3.576 . . . . 0.0 118.249 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -73.36 98.04 2.63 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 125.813 2.721 . . . . 0.0 107.011 156.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.52 -48.4 0.38 Allowed Glycine 0 CA--C 1.572 3.624 0 CA-C-N 110.245 -3.161 . . . . 0.0 113.379 162.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.6 m -103.75 122.4 44.99 Favored 'General case' 0 C--N 1.392 2.415 0 CA-C-N 109.717 -3.242 . . . . 0.0 109.831 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -69.24 71.58 0.27 Allowed 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 128.736 2.814 . . . . 0.0 112.495 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -158.75 175.93 12.99 Favored 'General case' 0 CA--C 1.575 1.926 0 O-C-N 126.904 2.627 . . . . 0.0 108.525 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.2 tp -92.85 151.9 19.72 Favored 'General case' 0 CA--C 1.562 1.422 0 CA-C-N 111.531 -2.577 . . . . 0.0 109.072 169.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.267 4.1 pt -146.8 136.6 17.05 Favored 'Isoleucine or valine' 0 CA--C 1.627 3.915 3 CA-C-O 130.384 4.897 . . . . 0.0 99.877 -176.055 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.395 4.5 t -145.46 121.71 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.78 1 O-C-N 116.002 -4.186 . . . . 0.0 110.512 -168.393 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 p -139.53 107.83 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.463 0 CA-C-O 125.002 2.334 . . . . 0.0 110.395 -153.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -64.81 149.32 49.6 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-O 126.633 3.111 . . . . 0.0 118.325 161.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -138.44 108.15 6.26 Favored 'General case' 0 CA--C 1.601 2.939 1 N-CA-C 93.316 -6.55 . . . . 0.0 93.316 -174.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.9 t -154.47 145.15 22.38 Favored 'General case' 0 CA--C 1.603 2.992 0 O-C-N 127.076 2.735 . . . . 0.0 105.91 -171.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.27 . . -77.59 147.2 35.77 Favored 'General case' 2 C--N 1.237 -4.293 0 CA-C-N 112.691 -2.05 . . . . 0.0 113.959 161.058 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.7 t -53.56 -47.48 70.0 Favored 'General case' 0 N--CA 1.533 3.692 0 O-C-N 118.789 -2.444 . . . . 0.0 115.45 164.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -65.05 74.23 0.04 OUTLIER 'General case' 0 CA--C 1.606 3.102 0 CA-C-O 124.839 2.257 . . . . 0.0 114.229 166.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.6 t -164.34 83.37 1.26 Allowed Pre-proline 0 N--CA 1.524 3.26 0 CA-C-N 112.949 -1.932 . . . . 0.0 108.022 -176.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.407 44.5 Cg_exo -46.82 -42.05 24.84 Favored 'Trans proline' 1 CA--C 1.621 4.871 1 C-N-CA 127.795 5.663 . . . . 0.0 118.689 167.193 . . . . . . . . 4 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -56.03 -45.34 39.15 Favored 'Trans proline' 0 CA--C 1.604 3.977 0 C-N-CA 124.758 3.639 . . . . 0.0 119.332 164.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.559 7.9 m -67.41 -25.99 66.21 Favored 'General case' 0 N--CA 1.536 3.83 0 N-CA-C 121.329 3.826 . . . . 0.0 121.329 156.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.542 15.3 tttp -48.84 -58.55 4.65 Favored 'General case' 0 C--N 1.393 2.46 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 158.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.416 14.3 ptt? -59.59 -38.74 82.03 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 119.377 3.102 . . . . 0.0 119.377 164.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.432 1.0 OUTLIER -60.02 -21.75 22.72 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.142 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 170.219 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.402 . . -62.13 -59.62 12.54 Favored Pre-proline 0 C--N 1.396 2.61 0 CA-C-N 123.187 2.721 . . . . 0.0 112.355 170.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -52.66 -41.28 70.03 Favored 'Trans proline' 1 CA--C 1.613 4.442 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 162.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.251 29.0 mm -52.34 -57.58 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 CA-C-N 122.734 2.515 . . . . 0.0 116.324 167.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -54.64 -42.76 71.66 Favored 'General case' 0 CA--C 1.574 1.897 0 O-C-N 126.995 2.685 . . . . 0.0 115.816 173.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.97 95.41 Favored 'General case' 0 CA--C 1.593 2.606 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 162.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -49.88 -58.22 5.84 Favored 'General case' 0 CA--C 1.581 2.159 0 N-CA-C 116.974 2.213 . . . . 0.0 116.974 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -56.33 -38.62 71.59 Favored 'General case' 0 CA--C 1.579 2.064 1 CA-C-O 109.553 -5.022 . . . . 0.0 115.427 170.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.16 -43.69 61.31 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 119.725 3.232 . . . . 0.0 119.725 162.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -60.89 -44.54 96.96 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 113.039 -1.891 . . . . 0.0 114.084 169.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -54.54 -38.51 66.67 Favored 'General case' 0 CA--C 1.603 2.984 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 169.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -137.13 91.67 14.55 Favored Pre-proline 0 CA--C 1.61 3.267 0 C-N-CA 125.705 1.602 . . . . 0.0 108.32 -151.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -61.04 -29.6 88.01 Favored 'Trans proline' 1 CA--C 1.611 4.326 2 C-N-CA 128.095 5.864 . . . . 0.0 122.772 170.772 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.463 HD22 ' HB1' ' A' ' 111' ' ' ALA . 12.6 p30 -62.18 3.95 0.15 Allowed 'General case' 0 C--O 1.27 2.16 0 C-N-CA 129.316 3.046 . . . . 0.0 116.888 -177.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.263 3.4 p -147.53 107.53 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.873 0 CA-C-O 123.394 1.568 . . . . 0.0 113.313 -150.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . 0.303 57.1 m -66.6 156.14 35.9 Favored 'General case' 0 CA--C 1.596 2.716 0 CA-C-O 128.176 3.846 . . . . 0.0 113.216 160.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -148.41 136.42 20.98 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 125.588 2.613 . . . . 0.0 110.546 -171.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 pp -154.06 159.03 41.37 Favored 'General case' 0 N--CA 1.501 2.091 0 CA-C-O 126.751 3.167 . . . . 0.0 107.28 -174.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -148.69 110.2 4.45 Favored 'General case' 0 C--O 1.272 2.262 0 CA-C-O 128.177 3.846 . . . . 0.0 111.236 -166.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.6 t -91.46 119.37 38.61 Favored 'Isoleucine or valine' 0 C--O 1.275 2.397 0 O-C-N 116.746 -3.722 . . . . 0.0 112.064 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . 0.264 30.6 t70 -67.33 102.39 1.08 Allowed 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 126.281 1.832 . . . . 0.0 108.112 166.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.447 HG13 ' SD ' ' A' ' 80' ' ' MET 0.391 0.3 OUTLIER -51.94 -40.95 29.83 Favored 'Isoleucine or valine' 0 C--O 1.272 2.257 0 C-N-CA 130.958 3.703 . . . . 0.0 115.609 177.264 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -50.39 -58.06 6.55 Favored 'General case' 0 N--CA 1.507 2.419 0 C-N-CA 127.169 2.187 . . . . 0.0 112.885 174.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -55.19 -31.75 61.65 Favored 'General case' 0 N--CA 1.518 2.953 1 N-CA-C 124.563 5.023 . . . . 0.0 124.563 158.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.2 mt -145.45 48.0 1.27 Allowed 'General case' 0 CA--C 1.575 1.916 0 CA-C-O 125.696 2.665 . . . . 0.0 114.947 -161.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.335 16.9 ptpt -73.61 -51.63 16.18 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 118.382 2.734 . . . . 0.0 118.382 171.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.46 -53.22 24.15 Favored 'General case' 0 CA--C 1.581 2.143 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 175.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 p -62.3 -46.22 96.94 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.232 1 CA-C-O 110.763 -4.446 . . . . 0.0 121.303 166.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.18 -52.48 4.36 Favored 'General case' 0 N--CA 1.488 1.466 1 O-C-N 129.696 4.372 . . . . 0.0 113.819 164.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . 0.317 8.4 mt-10 -53.28 -53.41 51.28 Favored 'General case' 0 N--CA 1.518 2.964 0 O-C-N 125.658 1.849 . . . . 0.0 111.946 174.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.471 0.0 OUTLIER -45.36 -49.01 13.33 Favored 'General case' 0 C--N 1.399 2.719 1 N-CA-C 123.781 4.734 . . . . 0.0 123.781 164.961 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -56.03 -52.79 62.98 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 117.775 -3.078 . . . . 0.0 112.726 169.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.281 25.3 t-20 154.22 81.81 0.0 OUTLIER 'General case' 1 N--CA 1.545 4.296 0 C-N-CA 129.662 3.185 . . . . 0.0 105.209 154.351 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.5 t -144.45 101.86 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.46 -2.519 0 CA-C-O 127.895 3.712 . . . . 0.0 106.284 -170.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -15.34 36.18 Favored 'General case' 1 CA--C 1.652 4.882 0 O-C-N 117.078 -3.513 . . . . 0.0 117.637 161.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -156.77 157.42 35.0 Favored 'General case' 2 C--N 1.437 4.386 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 -165.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.447 ' SD ' HG13 ' A' ' 65' ' ' VAL . 14.6 mmt -75.58 128.16 84.49 Favored Pre-proline 0 CA--C 1.598 2.813 2 CA-C-O 109.527 -5.035 . . . . 0.0 108.11 169.427 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.35 88.4 Cg_endo -141.3 148.09 0.0 OUTLIER 'Cis proline' 0 CA--C 1.602 3.882 0 C-N-CA 120.275 -2.802 . . . . 0.0 111.423 -21.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.8 m -127.04 142.11 51.62 Favored 'General case' 0 N--CA 1.387 -3.608 1 N-CA-C 100.077 -4.046 . . . . 0.0 100.077 -130.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -134.34 116.79 15.64 Favored 'General case' 1 N--CA 1.566 5.334 0 N-CA-C 100.848 -3.76 . . . . 0.0 100.848 -163.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.27 54.0 mt -116.31 136.24 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.197 1 C-N-CA 133.707 4.803 . . . . 0.0 106.986 -179.033 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -120.9 109.46 15.14 Favored 'General case' 0 C--N 1.301 -1.52 3 N-CA-C 97.081 -5.155 . . . . 0.0 97.081 -168.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.5 136.64 48.07 Favored 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 129.13 2.972 . . . . 0.0 105.459 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.365 53.8 tttt -142.02 176.71 8.74 Favored 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 126.087 1.755 . . . . 0.0 109.365 -170.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -61.42 56.65 0.01 OUTLIER 'General case' 0 CA--C 1.615 3.468 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 154.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.4 40.66 0.08 OUTLIER Glycine 0 N--CA 1.495 2.625 0 C-N-CA 129.177 3.275 . . . . 0.0 117.218 173.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt 60.68 -170.34 0.15 Allowed 'General case' 0 CA--C 1.611 3.296 0 O-C-N 118.507 -2.761 . . . . 0.0 107.368 -177.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.49 94.2 0.06 Allowed 'General case' 0 CA--C 1.58 2.121 0 CA-C-O 123.975 1.845 . . . . 0.0 111.552 174.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.361 18.3 m -61.36 -58.92 5.35 Favored 'Isoleucine or valine' 0 C--N 1.378 1.815 0 CA-C-N 111.396 -2.638 . . . . 0.0 114.233 166.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -162.68 169.8 19.48 Favored 'General case' 0 C--N 1.382 2.02 0 O-C-N 116.406 -3.934 . . . . 0.0 114.359 -165.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.67 143.43 16.02 Favored 'General case' 0 CA--C 1.575 1.911 0 O-C-N 118.781 -2.45 . . . . 0.0 113.813 -172.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.476 HG21 ' H ' ' A' ' 96' ' ' VAL . 80.9 m -158.67 157.78 32.49 Favored 'General case' 0 CA--C 1.615 3.476 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.476 ' H ' HG21 ' A' ' 95' ' ' THR 0.288 1.2 p -140.65 93.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 C-N-CA 127.1 2.16 . . . . 0.0 107.613 -169.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 178.02 113.21 0.35 Allowed Glycine 0 CA--C 1.561 2.966 0 CA-C-O 127.448 3.804 . . . . 0.0 109.556 172.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.37 107.18 1.04 Allowed 'General case' 0 C--N 1.387 2.21 0 CA-C-O 126.161 2.886 . . . . 0.0 111.902 158.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -158.07 118.28 3.34 Favored 'General case' 0 N--CA 1.521 3.083 0 O-C-N 116.424 -3.922 . . . . 0.0 104.92 -171.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.357 0.0 OUTLIER -45.75 -56.7 4.99 Favored 'General case' 0 N--CA 1.512 2.655 0 N-CA-C 119.346 3.091 . . . . 0.0 119.346 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -79.2 -39.84 32.28 Favored 'General case' 0 N--CA 1.507 2.38 0 CA-C-O 116.414 -1.755 . . . . 0.0 113.885 167.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -43.43 -59.09 3.71 Favored Glycine 0 C--N 1.373 2.633 1 N-CA-C 125.466 4.946 . . . . 0.0 125.466 175.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.9 tp -56.57 -48.77 96.54 Favored Pre-proline 0 CA--C 1.588 2.428 0 CA-C-O 114.003 -2.903 . . . . 0.0 114.388 173.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -46.28 -55.91 3.34 Favored 'Trans proline' 0 C--N 1.402 3.389 1 C-N-CA 125.593 4.195 . . . . 0.0 117.424 159.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.29 17.6 m -51.91 -49.58 62.75 Favored 'General case' 0 N--CA 1.532 3.666 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 178.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.9 tp -62.53 -47.82 82.24 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 118.684 2.846 . . . . 0.0 118.684 169.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.291 42.9 t -56.44 -54.97 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 CA-C-O 113.724 -3.036 . . . . 0.0 113.319 165.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.45 -45.14 17.97 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 118.008 2.595 . . . . 0.0 118.008 173.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -59.47 -48.95 79.68 Favored 'General case' 0 CA--C 1.619 3.612 0 O-C-N 128.143 3.402 . . . . 0.0 112.648 170.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -54.76 -55.83 25.83 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 120.946 3.684 . . . . 0.0 120.946 165.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.463 ' HB1' HD22 ' A' ' 57' ' ' ASN . . . -49.9 -45.49 50.88 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 118.686 2.847 . . . . 0.0 118.686 172.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 48.1 m -53.88 -49.93 67.44 Favored 'General case' 0 CA--C 1.601 2.941 0 C-N-CA 125.888 1.675 . . . . 0.0 115.173 166.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.348 0 CA-C-O 124.214 1.959 . . . . 0.0 114.876 164.198 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.58 2.125 0 N-CA-C 107.491 -1.299 . . . . 0.0 107.491 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -154.8 116.79 4.18 Favored 'General case' 0 CA--C 1.608 3.178 0 N-CA-C 102.698 -3.075 . . . . 0.0 102.698 -167.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -161.36 164.52 29.96 Favored 'General case' 0 N--CA 1.52 3.047 0 CA-C-O 122.024 0.916 . . . . 0.0 111.71 -172.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.98 171.4 35.28 Favored Glycine 0 CA--C 1.569 3.438 0 C-N-CA 126.036 1.779 . . . . 0.0 114.354 161.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -157.41 136.86 12.04 Favored 'General case' 0 CA--C 1.587 2.394 0 O-C-N 118.95 -2.5 . . . . 0.0 107.11 -169.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.3 t -93.85 114.88 31.39 Favored 'Isoleucine or valine' 0 C--O 1.248 1.015 0 C-N-CA 130.143 3.377 . . . . 0.0 110.831 175.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -124.57 115.95 46.05 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.103 0 N-CA-C 101.883 -3.377 . . . . 0.0 101.883 -173.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.23 139.9 58.12 Favored 'General case' 0 CA--C 1.587 2.392 0 CA-C-O 124.051 1.882 . . . . 0.0 115.291 163.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.555 ' SG ' ' CD1' ' A' ' 61' ' ' LEU . 69.4 m -122.55 147.81 45.94 Favored 'General case' 0 C--N 1.282 -2.341 0 C-N-CA 129.433 3.093 . . . . 0.0 112.888 -172.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -141.24 -64.65 0.44 Allowed 'General case' 0 CA--C 1.565 1.545 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -153.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.3 p -138.35 -169.8 2.67 Favored 'General case' 0 CA--C 1.585 2.307 0 C-N-CA 128.512 2.725 . . . . 0.0 109.562 -165.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.0 p -45.07 -21.72 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.602 2.976 0 CA-C-O 128.264 3.888 . . . . 0.0 121.152 171.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.97 -41.04 95.8 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 117.618 -3.176 . . . . 0.0 112.917 172.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.276 2.1 t -50.87 -34.71 29.29 Favored 'General case' 0 CA--C 1.606 3.107 0 N-CA-C 119.44 3.126 . . . . 0.0 119.44 156.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . 0.253 37.1 m95 -55.58 -51.86 65.68 Favored 'General case' 1 N--CA 1.547 4.421 0 O-C-N 119.577 -1.952 . . . . 0.0 113.695 169.249 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -50.0 -55.58 14.1 Favored 'General case' 0 CA--C 1.604 3.027 0 N-CA-C 117.052 2.241 . . . . 0.0 117.052 161.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.406 33.5 mt-10 -53.9 -64.53 0.8 Allowed 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 121.4 3.852 . . . . 0.0 121.4 172.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -49.36 -58.78 4.48 Favored 'General case' 0 CA--C 1.593 2.615 0 O-C-N 124.618 1.198 . . . . 0.0 113.149 175.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -58.33 -59.32 5.52 Favored 'General case' 0 CA--C 1.585 2.299 0 C-N-CA 127.115 2.166 . . . . 0.0 115.556 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.368 64.7 mm-40 -51.34 -60.41 3.16 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 126.75 2.02 . . . . 0.0 115.75 177.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -54.46 -52.62 61.28 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 119.507 3.151 . . . . 0.0 119.507 169.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.86 -80.75 0.06 OUTLIER Glycine 0 CA--C 1.557 2.7 0 N-CA-C 120.522 2.969 . . . . 0.0 120.522 172.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -83.22 91.41 7.26 Favored 'General case' 0 CA--C 1.482 -1.662 0 O-C-N 128.474 3.102 . . . . 0.0 113.6 153.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.72 -43.07 0.18 Allowed Glycine 0 CA--C 1.546 1.987 0 O-C-N 118.778 -2.451 . . . . 0.0 113.831 170.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.9 m -117.32 136.81 52.86 Favored 'General case' 0 C--O 1.266 1.953 0 C-N-CA 128.293 2.637 . . . . 0.0 104.586 -176.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.83 87.17 0.13 Allowed 'General case' 1 N--CA 1.542 4.16 0 C-N-CA 127.157 2.183 . . . . 0.0 109.186 166.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -162.13 158.18 24.34 Favored 'General case' 1 C--O 1.307 4.119 0 N-CA-C 103.406 -2.813 . . . . 0.0 103.406 176.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.2 tp -87.61 147.32 25.34 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 109.221 -3.627 . . . . 0.0 109.313 157.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.1 pt -141.64 138.49 31.99 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.088 1 C-N-CA 132.196 4.198 . . . . 0.0 106.956 -179.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.262 84.1 t -142.81 127.48 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.462 0 CA-C-N 113.31 -1.768 . . . . 0.0 109.004 -168.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 6.9 p -144.76 105.82 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.596 2.745 0 N-CA-C 118.393 2.738 . . . . 0.0 118.393 -157.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.453 ' HA ' ' O ' ' A' ' 82' ' ' THR . 11.6 t0 -68.56 125.83 27.75 Favored 'General case' 0 C--N 1.379 1.865 0 CA-C-N 110.991 -2.822 . . . . 0.0 117.55 168.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -108.31 105.29 14.92 Favored 'General case' 0 N--CA 1.51 2.53 0 CA-C-O 127.653 3.597 . . . . 0.0 102.192 171.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.9 t -151.02 135.7 17.19 Favored 'General case' 0 N--CA 1.539 3.98 0 CA-C-O 128.211 3.863 . . . . 0.0 103.713 -169.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.26 . . -79.98 149.81 30.67 Favored 'General case' 0 C--O 1.257 1.466 0 CA-C-N 110.224 -3.171 . . . . 0.0 112.154 160.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 t -58.81 -36.92 75.28 Favored 'General case' 0 CA--C 1.589 2.473 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 165.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 43.7 p-90 -58.73 61.91 0.0 OUTLIER 'General case' 1 N--CA 1.568 5.462 0 O-C-N 119.231 -2.168 . . . . 0.0 115.174 162.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.1 t -160.67 93.83 1.53 Allowed Pre-proline 0 CA--C 1.605 3.09 0 CA-C-O 115.552 -2.166 . . . . 0.0 106.923 -171.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -52.83 -34.51 65.92 Favored 'Trans proline' 2 CA--C 1.639 5.771 1 N-CA-C 124.176 4.644 . . . . 0.0 124.176 155.585 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.427 31.8 Cg_exo -51.65 -59.22 1.2 Allowed 'Trans proline' 0 N--CA 1.506 2.252 1 C-N-CA 126.753 4.968 . . . . 0.0 120.643 162.069 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.421 ' SG ' ' CG ' ' A' ' 81' ' ' PRO 0.462 28.7 m -62.52 -27.75 69.37 Favored 'General case' 0 C--N 1.385 2.151 1 N-CA-C 122.596 4.295 . . . . 0.0 122.596 157.61 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -41.69 -58.77 1.86 Allowed 'General case' 0 N--CA 1.513 2.69 0 O-C-N 118.175 -2.828 . . . . 0.0 117.119 152.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.255 12.4 ptm -68.43 -39.83 81.42 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 119.178 -2.201 . . . . 0.0 115.725 167.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.35 1.1 tp -53.15 -36.45 25.21 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.693 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 171.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.96 -60.64 4.34 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 117.037 -3.54 . . . . 0.0 112.877 165.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -45.8 -49.66 10.64 Favored 'Trans proline' 0 C--N 1.38 2.226 1 C-N-CA 125.814 4.342 . . . . 0.0 119.844 164.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.297 46.2 mm -53.64 -55.81 11.68 Favored 'Isoleucine or valine' 0 CA--C 1.623 3.776 0 CA-C-O 123.893 1.806 . . . . 0.0 113.206 168.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -45.96 -39.72 9.3 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 118.218 -2.801 . . . . 0.0 116.331 173.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.34 -53.57 16.14 Favored 'General case' 0 CA--C 1.549 0.905 1 O-C-N 129.554 4.284 . . . . 0.0 117.532 172.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -54.81 -50.0 69.62 Favored 'General case' 1 CA--C 1.645 4.609 0 O-C-N 118.301 -2.749 . . . . 0.0 113.575 167.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.332 2.0 tm? -46.43 -50.73 16.36 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 162.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.21 -37.72 55.84 Favored 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 118.841 2.904 . . . . 0.0 118.841 169.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -69.01 -39.19 79.43 Favored 'General case' 0 C--O 1.258 1.522 0 C-N-CA 129.021 2.928 . . . . 0.0 114.278 169.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -59.52 -33.81 71.84 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 117.997 2.591 . . . . 0.0 117.997 173.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -134.89 96.08 14.91 Favored Pre-proline 0 C--O 1.263 1.772 0 C-N-CA 128.1 2.56 . . . . 0.0 110.392 -155.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.267 4.4 Cg_endo -68.89 -35.63 15.04 Favored 'Trans proline' 0 N--CA 1.527 3.486 2 C-N-CA 133.039 9.159 . . . . 0.0 126.679 179.958 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -71.42 4.22 3.15 Favored 'General case' 0 CA--C 1.588 2.431 0 N-CA-C 118.394 2.738 . . . . 0.0 118.394 176.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.299 2.5 p -144.99 108.03 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.502 0 C-N-CA 122.883 0.473 . . . . 0.0 110.211 -154.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.3 m -69.53 157.52 37.01 Favored 'General case' 0 CA--C 1.589 2.464 0 CA-C-N 112.467 -2.151 . . . . 0.0 110.176 169.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -149.44 122.66 8.94 Favored 'General case' 0 C--O 1.184 -2.359 0 CA-C-N 111.823 -2.444 . . . . 0.0 108.444 -168.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.555 ' CD1' ' SG ' ' A' ' 9' ' ' CYS 0.274 0.3 OUTLIER -148.23 146.65 28.75 Favored 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 127.148 2.179 . . . . 0.0 108.674 -168.439 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -147.75 101.4 3.32 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 126.65 3.119 . . . . 0.0 109.378 -161.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.3 t -77.15 124.03 34.8 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.149 0 CA-C-N 110.154 -3.203 . . . . 0.0 111.521 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -67.31 90.64 0.23 Allowed 'General case' 0 N--CA 1.537 3.909 0 CA-C-N 112.28 -2.236 . . . . 0.0 110.981 155.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.349 1.0 OUTLIER -46.78 -33.27 2.05 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 N-CA-C 119.721 3.23 . . . . 0.0 119.721 172.559 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.434 30.5 m-20 -57.43 -47.47 81.68 Favored 'General case' 0 N--CA 1.532 3.649 0 CA-C-O 116.019 -1.944 . . . . 0.0 116.225 168.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -57.86 -25.33 60.59 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 120.04 3.348 . . . . 0.0 120.04 165.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.0 mt -152.82 45.04 0.68 Allowed 'General case' 0 C--N 1.413 3.352 0 CA-C-O 127.863 3.697 . . . . 0.0 117.279 -164.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.265 14.4 ptpt -62.93 -42.49 99.82 Favored 'General case' 1 N--CA 1.559 4.982 0 O-C-N 119.353 -2.092 . . . . 0.0 116.446 177.106 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.73 -66.54 0.37 Allowed 'General case' 1 N--CA 1.56 5.064 0 C-N-CA 125.696 1.598 . . . . 0.0 113.821 175.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.5 p -60.89 -44.7 98.37 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.687 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 169.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.99 -47.39 5.74 Favored 'General case' 0 C--O 1.172 -3.02 0 O-C-N 116.411 -3.931 . . . . 0.0 116.377 167.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . 0.317 48.8 tt0 -54.33 -58.9 5.65 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 113.062 -1.881 . . . . 0.0 113.042 167.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.253 0.0 OUTLIER -43.21 -55.93 3.71 Favored 'General case' 1 N--CA 1.552 4.637 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 170.781 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.408 16.3 m95 -51.1 -42.33 60.58 Favored 'General case' 0 C--N 1.375 1.68 0 N-CA-C 118.661 2.837 . . . . 0.0 118.661 171.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.285 9.0 t-20 145.77 86.09 0.0 OUTLIER 'General case' 0 C--O 1.258 1.542 0 N-CA-C 102.213 -3.254 . . . . 0.0 102.213 155.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.4 t -168.21 98.52 0.01 OUTLIER 'Isoleucine or valine' 1 CA--C 1.636 4.269 0 CA-C-N 120.92 1.691 . . . . 0.0 110.911 -174.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.293 19.4 pt-20 -114.34 43.97 1.79 Allowed 'General case' 1 CA--C 1.656 5.053 2 CA-C-N 100.02 -7.809 . . . . 0.0 113.008 143.936 . . . . . . . . 4 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.75 114.37 4.29 Favored 'General case' 0 CA--C 1.615 3.465 0 CA-C-O 126.771 3.177 . . . . 0.0 111.33 -169.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . 0.398 33.2 mmt -82.7 106.17 6.31 Favored Pre-proline 0 N--CA 1.518 2.952 0 CA-C-O 113.388 -3.196 . . . . 0.0 109.217 175.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.421 ' CG ' ' SG ' ' A' ' 41' ' ' CYS . 31.2 Cg_endo -151.94 152.15 0.0 OUTLIER 'Cis proline' 0 CA--C 1.591 3.358 3 CA-C-N 130.816 4.899 . . . . 0.0 116.563 -1.015 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 32' ' ' ASP . 4.7 m -107.48 135.41 49.01 Favored 'General case' 0 CA--C 1.586 2.331 1 CA-C-N 105.753 -5.203 . . . . 0.0 105.777 -147.065 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -126.74 134.4 50.64 Favored 'General case' 0 C--O 1.205 -1.241 0 C-N-CA 130.297 3.439 . . . . 0.0 102.473 175.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.305 11.9 mt -136.42 124.77 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.35 0 CA-C-O 127.286 3.422 . . . . 0.0 107.368 -174.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -104.65 107.1 17.87 Favored 'General case' 0 CA--C 1.625 3.863 1 CA-C-N 108.324 -4.035 . . . . 0.0 104.442 -175.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.329 0.1 OUTLIER -130.82 132.05 45.0 Favored 'General case' 0 CA--C 1.582 2.205 0 N-CA-C 101.415 -3.55 . . . . 0.0 101.415 -178.56 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -137.18 -179.48 5.74 Favored 'General case' 0 CA--C 1.604 3.044 0 CA-C-N 108.734 -3.848 . . . . 0.0 106.744 -171.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -57.59 52.29 0.0 OUTLIER 'General case' 0 CA--C 1.589 2.475 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 157.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -178.03 44.92 0.09 OUTLIER Glycine 0 C--O 1.269 2.304 1 C-N-CA 131.659 4.457 . . . . 0.0 111.169 169.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.327 48.3 mtmt 62.03 -162.61 0.28 Allowed 'General case' 0 C--N 1.359 1.019 0 O-C-N 118.135 -2.979 . . . . 0.0 114.364 -172.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.2 tp -57.76 102.72 0.1 Allowed 'General case' 0 N--CA 1.536 3.864 0 CA-C-O 126.102 2.858 . . . . 0.0 108.367 166.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.519 32.7 m -65.64 -54.11 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.693 0 C-N-CA 126.591 1.956 . . . . 0.0 113.478 163.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -161.16 178.83 8.9 Favored 'General case' 0 C--O 1.262 1.753 0 O-C-N 118.979 -2.325 . . . . 0.0 113.931 -165.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.25 139.06 17.99 Favored 'General case' 0 CA--C 1.577 1.985 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -168.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.8 m -157.02 132.9 9.49 Favored 'General case' 0 CA--C 1.623 3.782 0 C-N-CA 124.634 1.174 . . . . 0.0 108.446 -178.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.301 2.3 p -133.29 102.23 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.994 0 O-C-N 128.531 3.644 . . . . 0.0 106.944 -175.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 159.2 88.15 0.07 OUTLIER Glycine 0 C--O 1.289 3.543 1 O-C-N 131.224 5.327 . . . . 0.0 116.017 163.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.28 122.91 5.76 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 117.595 2.443 . . . . 0.0 117.595 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -160.16 129.03 4.94 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 -172.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.28 0.0 OUTLIER -39.6 -57.57 1.46 Allowed 'General case' 0 CA--C 1.604 3.026 1 N-CA-C 122.07 4.1 . . . . 0.0 122.07 -178.891 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.301 6.4 p-10 -73.91 -47.75 35.66 Favored 'General case' 0 CA--C 1.626 3.871 0 CA-C-N 112.111 -2.313 . . . . 0.0 116.573 171.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -36.58 -64.53 0.61 Allowed Glycine 0 C--N 1.29 -1.98 0 C-N-CA 128.794 3.092 . . . . 0.0 119.171 175.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.9 tp -48.25 -59.92 5.21 Favored Pre-proline 0 CA--C 1.576 1.962 0 N-CA-C 118.163 2.653 . . . . 0.0 118.163 166.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.61 -50.36 8.32 Favored 'Trans proline' 0 C--N 1.395 3.008 0 N-CA-C 119.334 2.782 . . . . 0.0 119.334 167.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.4 5.2 m -53.07 -54.42 35.76 Favored 'General case' 0 N--CA 1.533 3.698 0 N-CA-C 120.561 3.541 . . . . 0.0 120.561 172.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 38.5 tp -61.33 -48.71 80.09 Favored 'General case' 0 CA--C 1.583 2.224 0 C-N-CA 128.261 2.624 . . . . 0.0 112.939 174.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 99.3 t -58.28 -37.8 65.12 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.763 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 169.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.87 -56.18 25.56 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 125.086 1.491 . . . . 0.0 114.916 161.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . 0.29 46.8 mttt -48.69 -42.64 35.46 Favored 'General case' 0 C--O 1.263 1.785 0 N-CA-C 118.489 2.774 . . . . 0.0 118.489 170.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.317 33.9 m-70 -64.25 -68.87 0.32 Allowed 'General case' 0 C--O 1.194 -1.831 0 N-CA-C 119.983 3.327 . . . . 0.0 119.983 164.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -42.6 -40.34 2.66 Favored 'General case' 0 N--CA 1.528 3.438 0 N-CA-C 120.61 3.559 . . . . 0.0 120.61 168.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.26 34.6 m -61.57 -64.81 0.82 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 119.562 -1.961 . . . . 0.0 113.295 162.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.446 0 CA-C-N 123.51 2.868 . . . . 0.0 116.108 166.021 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.57 1.735 0 CA-C-O 124.333 2.016 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -157.19 105.33 2.11 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 124.34 2.019 . . . . 0.0 109.412 -171.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -159.94 158.13 30.17 Favored 'General case' 0 C--N 1.37 1.471 0 CA-C-N 111.157 -2.747 . . . . 0.0 113.952 -175.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.05 158.43 25.47 Favored Glycine 0 N--CA 1.499 2.873 0 CA-C-N 114.31 -1.313 . . . . 0.0 115.455 162.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -151.92 121.64 6.98 Favored 'General case' 0 CA--C 1.571 1.761 0 O-C-N 118.226 -2.926 . . . . 0.0 107.642 -169.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.2 t -85.99 130.26 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.608 3.204 0 C-N-CA 129.329 3.052 . . . . 0.0 112.391 173.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.373 0.4 OUTLIER -129.5 128.76 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.693 0 C-N-CA 129.288 3.035 . . . . 0.0 109.122 -172.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.69 137.64 56.25 Favored 'General case' 0 CA--C 1.577 1.995 0 N-CA-C 119.803 3.261 . . . . 0.0 119.803 157.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.517 ' HB3' ' HG1' ' A' ' 14' ' ' THR . 72.6 m -143.87 135.1 25.72 Favored 'General case' 0 CA--C 1.588 2.414 0 CA-C-N 110.62 -2.991 . . . . 0.0 108.352 -171.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -139.79 -41.26 0.44 Allowed 'General case' 0 C--N 1.382 2.008 0 CA-C-N 110.573 -3.012 . . . . 0.0 115.521 -150.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.0 p -147.06 -168.75 3.13 Favored 'General case' 0 CA--C 1.584 2.286 0 O-C-N 118.803 -2.435 . . . . 0.0 107.385 -166.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 p -52.07 -23.43 3.95 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.613 0 C-N-CA 124.893 1.277 . . . . 0.0 112.05 167.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.56 -39.23 15.99 Favored 'General case' 0 CA--C 1.572 1.819 0 O-C-N 117.813 -3.055 . . . . 0.0 117.578 166.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.517 ' HG1' ' HB3' ' A' ' 9' ' ' CYS 0.357 0.6 OUTLIER -64.42 -38.7 91.96 Favored 'General case' 0 N--CA 1.521 3.096 0 CA-C-O 115.358 -2.258 . . . . 0.0 115.06 166.255 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . 0.322 35.8 m95 -46.8 -42.89 17.78 Favored 'General case' 0 N--CA 1.522 3.145 0 O-C-N 125.963 2.039 . . . . 0.0 116.434 160.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -62.31 -57.05 12.79 Favored 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 121.069 3.729 . . . . 0.0 121.069 154.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -50.56 -60.68 2.78 Favored 'General case' 0 N--CA 1.528 3.468 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -54.07 -60.69 3.0 Favored 'General case' 0 N--CA 1.52 3.048 0 C-N-CA 129.899 3.28 . . . . 0.0 115.713 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.328 21.5 t80 -53.72 -59.81 4.13 Favored 'General case' 0 CA--C 1.599 2.83 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 176.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -49.9 -49.01 51.23 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 119.498 3.147 . . . . 0.0 119.498 170.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.274 22.4 mmtp -62.4 -63.18 1.31 Allowed 'General case' 0 N--CA 1.512 2.67 0 CA-C-O 117.659 -1.163 . . . . 0.0 113.784 170.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.24 -82.15 0.02 OUTLIER Glycine 1 CA--C 1.582 4.276 0 CA-C-O 125.476 2.709 . . . . 0.0 115.961 175.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -75.86 96.85 3.78 Favored 'General case' 0 CA--C 1.564 1.482 0 CA-C-O 124.543 2.116 . . . . 0.0 106.351 161.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.66 -46.63 0.34 Allowed Glycine 0 CA--C 1.571 3.559 0 CA-C-O 126.085 3.047 . . . . 0.0 114.302 166.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.9 m -117.78 123.35 45.77 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 103.87 -2.641 . . . . 0.0 103.87 -166.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -56.98 76.63 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 N-CA-C 117.884 2.55 . . . . 0.0 117.884 168.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -158.14 162.84 37.99 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.245 1.418 . . . . 0.0 110.758 -174.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.2 tp -75.71 151.36 37.68 Favored 'General case' 0 N--CA 1.525 3.295 0 C-N-CA 125.278 1.431 . . . . 0.0 114.597 148.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.9 pt -145.94 127.61 8.04 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.447 0 C-N-CA 130.089 3.355 . . . . 0.0 106.775 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.4 t -133.82 142.85 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.967 0 C-N-CA 130.285 3.434 . . . . 0.0 102.847 -162.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.369 2.5 p -150.15 122.53 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.526 3.346 0 O-C-N 116.676 -3.765 . . . . 0.0 104.744 -162.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -81.01 141.59 34.25 Favored 'General case' 0 CA--C 1.577 2.008 0 C-N-CA 128.645 2.778 . . . . 0.0 106.443 159.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.431 ' CG ' HG23 ' A' ' 77' ' ' VAL . 96.8 m-85 -123.78 105.59 9.79 Favored 'General case' 0 N--CA 1.509 2.508 0 C-N-CA 131.134 3.774 . . . . 0.0 102.414 171.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.495 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 4.1 t -152.07 142.9 22.97 Favored 'General case' 1 CA--C 1.629 4.008 0 CA-C-O 127.26 3.409 . . . . 0.0 104.561 -171.326 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.321 . . -81.37 153.57 26.92 Favored 'General case' 0 N--CA 1.528 3.437 1 CA-C-N 107.78 -4.282 . . . . 0.0 114.345 168.667 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 t -54.84 -40.75 69.95 Favored 'General case' 0 CA--C 1.577 2.011 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 161.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.26 34.8 p-90 -71.45 74.52 0.76 Allowed 'General case' 0 CA--C 1.579 2.088 0 C-N-CA 130.832 3.653 . . . . 0.0 113.777 161.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 46.4 t -164.41 91.46 1.03 Allowed Pre-proline 0 CA--C 1.592 2.58 0 O-C-N 125.679 1.862 . . . . 0.0 107.025 -176.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -56.33 -49.35 15.39 Favored 'Trans proline' 1 CA--C 1.607 4.154 1 C-N-CA 126.879 5.053 . . . . 0.0 115.533 159.738 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -39.98 -53.69 2.35 Favored 'Trans proline' 0 N--CA 1.527 3.487 1 CA-C-N 128.789 4.175 . . . . 0.0 116.743 167.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.448 ' SG ' ' HB ' ' A' ' 34' ' ' THR 0.641 2.3 m -61.43 -40.2 93.57 Favored 'General case' 0 N--CA 1.509 2.52 0 N-CA-C 120.649 3.574 . . . . 0.0 120.649 168.828 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -47.78 -44.36 28.4 Favored 'General case' 0 N--CA 1.484 1.236 1 N-CA-C 122.844 4.387 . . . . 0.0 122.844 166.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.258 15.5 ptm -63.26 -50.86 68.5 Favored 'General case' 1 N--CA 1.545 4.3 0 O-C-N 128.521 3.638 . . . . 0.0 115.425 158.758 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.537 1.0 OUTLIER -49.76 -21.72 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.836 1 N-CA-C 123.647 4.684 . . . . 0.0 123.647 169.039 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.85 -68.33 0.84 Allowed Pre-proline 0 CA--C 1.576 1.96 0 CA-C-O 114.886 -2.483 . . . . 0.0 108.509 163.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -44.85 -47.72 11.48 Favored 'Trans proline' 0 C--N 1.37 1.703 1 N-CA-C 124.396 4.729 . . . . 0.0 124.396 166.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.264 32.5 mm -53.75 -53.44 26.4 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.95 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 167.236 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -52.04 -49.04 64.23 Favored 'General case' 1 N--CA 1.55 4.57 0 CA-C-O 118.48 -0.771 . . . . 0.0 112.505 170.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.07 -56.23 20.02 Favored 'General case' 0 C--N 1.375 1.676 0 N-CA-C 119.358 3.096 . . . . 0.0 119.358 167.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.255 41.5 tt0 -48.96 -53.07 21.36 Favored 'General case' 0 N--CA 1.517 2.895 1 O-C-N 113.238 -5.914 . . . . 0.0 120.508 169.444 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.94 -49.21 60.27 Favored 'General case' 0 CA--C 1.587 2.372 0 CA-C-O 114.619 -2.61 . . . . 0.0 114.311 160.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.19 -50.18 16.05 Favored 'General case' 0 C--O 1.276 2.451 0 N-CA-C 118.323 2.712 . . . . 0.0 118.323 166.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -61.5 -29.44 69.98 Favored 'General case' 0 CA--C 1.6 2.875 0 N-CA-C 118.013 2.597 . . . . 0.0 118.013 170.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -71.23 -29.84 65.61 Favored 'General case' 0 CA--C 1.578 2.034 0 C-N-CA 129.5 3.12 . . . . 0.0 114.108 173.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -136.05 98.14 11.85 Favored Pre-proline 0 CA--C 1.603 2.984 0 C-N-CA 127.212 2.205 . . . . 0.0 108.231 -157.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.261 1.8 Cg_endo -71.83 -24.47 21.21 Favored 'Trans proline' 0 CA--C 1.593 3.462 2 C-N-CA 131.788 8.326 . . . . 0.0 125.345 173.872 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -75.25 12.46 0.93 Allowed 'General case' 0 N--CA 1.535 3.815 0 C-N-CA 130.184 3.393 . . . . 0.0 114.328 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.403 1.6 p -150.11 103.27 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.151 0 CA-C-O 124.084 1.897 . . . . 0.0 109.386 -154.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.7 m -62.45 147.84 47.43 Favored 'General case' 0 CA--C 1.624 3.807 0 CA-C-O 125.228 2.442 . . . . 0.0 109.114 160.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -141.66 132.32 25.57 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 109.902 -3.317 . . . . 0.0 107.723 -176.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.488 HD11 ' SG ' ' A' ' 9' ' ' CYS 0.347 1.0 OUTLIER -143.39 159.92 41.5 Favored 'General case' 0 CA--C 1.627 3.935 0 CA-C-N 110.38 -3.1 . . . . 0.0 107.073 -174.015 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.4 ptmm? -150.84 110.93 4.12 Favored 'General case' 0 N--CA 1.518 2.945 0 CA-C-N 112.779 -2.009 . . . . 0.0 110.271 -170.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.3 t -93.31 116.59 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.906 1 C-N-CA 132.624 4.37 . . . . 0.0 109.416 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . 0.265 11.2 t70 -64.4 96.99 0.18 Allowed 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 110.431 -3.077 . . . . 0.0 108.587 158.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.53 HG13 ' SD ' ' A' ' 80' ' ' MET 0.349 0.3 OUTLIER -57.39 -28.48 30.94 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.51 0 CA-C-O 112.76 -3.495 . . . . 0.0 119.022 174.282 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -49.74 -38.38 33.34 Favored 'General case' 1 CA--C 1.63 4.048 0 O-C-N 127.091 2.744 . . . . 0.0 117.986 168.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -77.33 -24.83 50.75 Favored 'General case' 0 CA--C 1.621 3.7 0 N-CA-C 120.127 3.38 . . . . 0.0 120.127 164.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.251 61.4 mt -138.73 37.43 2.2 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 127.035 2.134 . . . . 0.0 114.382 -158.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.39 11.1 ptpt -53.68 -47.1 70.74 Favored 'General case' 0 CA--C 1.574 1.88 1 N-CA-C 123.152 4.501 . . . . 0.0 123.152 167.228 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.35 -59.77 3.68 Favored 'General case' 0 CA--C 1.599 2.845 0 C-N-CA 127.758 2.423 . . . . 0.0 114.387 175.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.457 2.1 p -54.34 -46.76 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.665 0 N-CA-C 119.134 3.013 . . . . 0.0 119.134 166.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.35 -44.43 62.05 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 115.927 -1.987 . . . . 0.0 113.409 170.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . 0.256 17.8 tt0 -54.4 -57.13 12.46 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 127.755 2.422 . . . . 0.0 111.973 169.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.314 0.0 OUTLIER -52.09 -53.65 39.91 Favored 'General case' 0 N--CA 1.523 3.205 0 CA-C-O 111.937 -3.887 . . . . 0.0 115.792 177.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -53.91 -45.84 71.27 Favored 'General case' 0 CA--C 1.61 3.271 0 O-C-N 128.144 3.402 . . . . 0.0 110.29 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.63 23.3 t-20 153.55 67.9 0.0 OUTLIER 'General case' 0 N--CA 1.522 3.126 0 C-N-CA 130.003 3.321 . . . . 0.0 115.02 155.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.431 HG23 ' CG ' ' A' ' 33' ' ' PHE . 85.9 t -144.99 82.66 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.334 1 CA-C-O 130.32 4.866 . . . . 0.0 104.337 -161.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -72.65 -1.7 17.25 Favored 'General case' 0 CA--C 1.597 2.775 2 CA-C-N 106.85 -4.705 . . . . 0.0 122.919 149.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . 0.501 . . -148.36 123.67 10.25 Favored 'General case' 0 CA--C 1.628 3.953 0 O-C-N 128.679 3.737 . . . . 0.0 112.737 -160.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.53 ' SD ' HG13 ' A' ' 65' ' ' VAL 0.355 32.1 mmt -66.61 110.11 4.4 Favored Pre-proline 0 CA--C 1.624 3.816 0 CA-C-N 122.128 2.24 . . . . 0.0 114.554 149.409 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.307 84.4 Cg_endo -148.16 153.84 0.0 OUTLIER 'Cis proline' 0 N--CA 1.535 3.967 1 N-CA-C 124.22 4.661 . . . . 0.0 124.22 -8.047 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.0 m -117.67 139.15 51.4 Favored 'General case' 0 N--CA 1.53 3.529 1 CA-C-N 104.832 -5.622 . . . . 0.0 101.646 -140.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -133.96 110.1 9.46 Favored 'General case' 0 N--CA 1.511 2.593 1 O-C-N 130.728 5.017 . . . . 0.0 101.764 -169.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.3 mt -123.91 148.59 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 1 C-N-CA 132.015 4.126 . . . . 0.0 111.155 -172.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -131.46 113.19 13.4 Favored 'General case' 0 N--CA 1.526 3.368 1 CA-C-N 107.801 -4.272 . . . . 0.0 110.411 -163.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.29 120.72 16.01 Favored 'General case' 0 N--CA 1.512 2.668 1 O-C-N 129.593 4.308 . . . . 0.0 102.066 -169.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.443 ' C ' ' H ' ' A' ' 89' ' ' GLY . 68.7 tttt -125.72 173.47 9.0 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 127.82 2.448 . . . . 0.0 108.608 -169.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.281 3.1 p30 -47.2 26.86 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.081 1 N-CA-C 122.329 4.196 . . . . 0.0 122.329 158.006 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 87' ' ' LYS . . . -161.57 48.32 0.36 Allowed Glycine 0 C--N 1.258 -3.8 0 C-N-CA 125.55 1.548 . . . . 0.0 112.316 -177.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.357 35.6 mtmt 48.74 -172.71 0.02 OUTLIER 'General case' 0 N--CA 1.519 3.0 0 N-CA-C 116.709 2.114 . . . . 0.0 116.709 -170.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.59 ' HG ' ' HZ2' ' A' ' 94' ' ' LYS . 14.7 tp -59.63 101.63 0.12 Allowed 'General case' 0 C--N 1.27 -2.891 0 C-N-CA 130.462 3.505 . . . . 0.0 112.019 -175.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.646 29.3 m -71.31 -42.99 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 129.69 3.196 . . . . 0.0 117.528 175.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -166.28 168.47 15.09 Favored 'General case' 0 N--CA 1.517 2.924 0 CA-C-N 123.024 2.647 . . . . 0.0 110.827 -171.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.59 ' HZ2' ' HG ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -158.9 128.72 5.71 Favored 'General case' 0 N--CA 1.502 2.146 0 CA-C-O 123.9 1.81 . . . . 0.0 109.621 -171.192 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.7 m -156.43 150.56 25.24 Favored 'General case' 1 CA--C 1.632 4.122 1 O-C-N 115.972 -4.205 . . . . 0.0 104.33 -174.488 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.276 1.9 p -145.93 102.49 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.257 -3.43 0 N-CA-C 104.21 -2.515 . . . . 0.0 104.21 -173.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 167.81 91.59 0.08 OUTLIER Glycine 0 N--CA 1.419 -2.478 0 CA-C-N 110.653 -2.976 . . . . 0.0 114.749 168.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -46.57 120.08 2.74 Favored 'General case' 0 C--O 1.198 -1.605 0 N-CA-C 118.175 2.657 . . . . 0.0 118.175 169.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -156.47 128.99 7.63 Favored 'General case' 0 N--CA 1.531 3.58 0 O-C-N 119.61 -1.931 . . . . 0.0 107.556 -172.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.547 0.0 OUTLIER -44.44 -61.15 1.63 Allowed 'General case' 1 CA--C 1.633 4.151 0 CA-C-O 126.944 3.259 . . . . 0.0 115.94 177.509 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.392 17.5 p-10 -75.08 -52.06 11.95 Favored 'General case' 1 N--CA 1.54 4.039 0 CA-C-N 112.163 -2.29 . . . . 0.0 114.465 175.733 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -39.27 -57.09 2.22 Favored Glycine 0 N--CA 1.469 0.857 1 N-CA-C 123.423 4.129 . . . . 0.0 123.423 174.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.4 57.4 tp -44.93 -62.26 1.75 Allowed Pre-proline 0 N--CA 1.524 3.262 0 O-C-N 119.502 -2.175 . . . . 0.0 114.585 170.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -55.78 -34.18 90.27 Favored 'Trans proline' 0 C--O 1.267 1.947 0 C-N-CA 124.748 3.632 . . . . 0.0 118.337 167.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.9 m -59.68 -59.22 5.79 Favored 'General case' 0 CA--C 1.604 3.049 0 CA-C-N 121.47 1.941 . . . . 0.0 114.718 169.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 33.1 tp -47.95 -55.72 9.31 Favored 'General case' 0 CA--C 1.591 2.528 0 O-C-N 127.266 2.854 . . . . 0.0 116.096 171.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 54.3 t -53.82 -54.3 20.71 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.113 0 C-N-CA 129.211 3.004 . . . . 0.0 115.677 169.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.75 -52.8 8.04 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-N 119.929 1.24 . . . . 0.0 113.972 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -49.74 -53.33 25.54 Favored 'General case' 0 C--N 1.365 1.256 1 N-CA-C 122.661 4.319 . . . . 0.0 122.661 160.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.251 52.8 m-70 -58.66 -46.88 86.21 Favored 'General case' 0 N--CA 1.525 3.317 0 N-CA-C 120.417 3.488 . . . . 0.0 120.417 170.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.09 -57.29 11.63 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 114.572 -2.632 . . . . 0.0 116.697 167.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 13.3 m -57.04 -58.15 9.42 Favored 'General case' 0 C--O 1.251 1.173 0 O-C-N 127.569 3.043 . . . . 0.0 110.137 170.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--O 1.35 6.365 0 CA-C-O 113.113 -3.327 . . . . 0.0 118.382 174.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.972 0 CA-C-O 119.58 -0.248 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -149.09 122.51 9.06 Favored 'General case' 0 CA--C 1.571 1.769 0 C-N-CA 127.797 2.439 . . . . 0.0 106.785 -175.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -158.47 156.67 30.74 Favored 'General case' 0 C--O 1.253 1.287 0 CA-C-O 122.678 1.227 . . . . 0.0 110.288 -174.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.42 160.5 27.98 Favored Glycine 0 CA--C 1.558 2.719 0 CA-C-N 112.466 -2.152 . . . . 0.0 117.868 159.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -155.01 129.33 9.0 Favored 'General case' 0 C--N 1.375 1.686 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -168.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -84.4 131.11 34.75 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.802 1 O-C-N 129.298 4.124 . . . . 0.0 106.707 174.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.332 0.2 OUTLIER -133.21 119.09 34.49 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.087 0 C-N-CA 130.318 3.447 . . . . 0.0 104.849 -174.161 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.47 135.82 57.16 Favored 'General case' 1 CA--C 1.646 4.642 0 CA-C-O 125.297 2.475 . . . . 0.0 114.562 163.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.4 ' SG ' HD11 ' A' ' 61' ' ' LEU . 78.7 m -128.43 138.44 52.31 Favored 'General case' 0 CA--C 1.609 3.223 0 CA-C-N 109.273 -3.603 . . . . 0.0 114.217 -178.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.8 m170 -133.51 -47.67 0.82 Allowed 'General case' 0 N--CA 1.522 3.129 1 CA-C-N 108.032 -4.167 . . . . 0.0 116.038 -160.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.4 p -146.44 -169.5 3.28 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 112.609 -2.087 . . . . 0.0 112.709 -158.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.414 5.8 p -51.36 -14.89 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.588 2.416 1 N-CA-C 122.439 4.237 . . . . 0.0 122.439 170.568 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.264 0.9 OUTLIER -61.22 -47.96 83.7 Favored 'General case' 0 CA--C 1.586 2.34 0 CA-C-N 113.396 -1.729 . . . . 0.0 114.221 160.037 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.256 1.0 OUTLIER -50.89 -34.56 28.77 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 115.243 -2.313 . . . . 0.0 116.857 164.801 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . 0.352 28.8 m95 -49.48 -55.88 11.71 Favored 'General case' 0 CA--C 1.612 3.363 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 163.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -55.85 -40.18 72.49 Favored 'General case' 0 N--CA 1.511 2.612 0 N-CA-C 118.994 2.961 . . . . 0.0 118.994 162.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.278 49.2 mt-10 -72.83 -61.49 1.79 Allowed 'General case' 0 CA--C 1.575 1.939 0 C-N-CA 128.531 2.732 . . . . 0.0 117.716 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -57.74 -60.43 3.71 Favored 'General case' 0 C--O 1.259 1.566 0 C-N-CA 128.07 2.548 . . . . 0.0 113.787 176.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.404 12.0 t80 -56.72 -59.06 5.57 Favored 'General case' 0 N--CA 1.515 2.809 0 N-CA-C 117.044 2.239 . . . . 0.0 117.044 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.324 3.7 mm-40 -57.68 -44.41 85.78 Favored 'General case' 0 CA--C 1.598 2.82 0 C-N-CA 126.704 2.002 . . . . 0.0 115.124 174.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.308 23.3 mmtp -57.04 -62.13 1.97 Allowed 'General case' 0 CA--C 1.582 2.19 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 165.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.23 -84.62 0.03 OUTLIER Glycine 0 CA--C 1.57 3.5 0 C-N-CA 127.261 2.362 . . . . 0.0 116.273 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -69.79 86.35 0.5 Allowed 'General case' 0 CA--C 1.585 2.322 0 CA-C-O 125.944 2.783 . . . . 0.0 112.88 159.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.92 -48.23 0.46 Allowed Glycine 0 C--N 1.379 2.919 0 CA-C-N 111.613 -2.54 . . . . 0.0 118.649 161.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.352 26.8 m -82.97 134.44 35.06 Favored 'General case' 0 CA--C 1.587 2.396 0 CA-C-N 108.955 -3.622 . . . . 0.0 107.322 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.307 22.0 mp0 -61.84 70.25 0.01 OUTLIER 'General case' 0 CA--C 1.579 2.076 0 C-N-CA 127.35 2.26 . . . . 0.0 111.549 174.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -163.82 159.22 20.94 Favored 'General case' 0 CA--C 1.563 1.456 0 CA-C-O 124.032 1.873 . . . . 0.0 111.331 -176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.3 tp -86.29 149.07 25.32 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-N 109.315 -3.584 . . . . 0.0 107.218 162.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.5 pt -143.09 127.11 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.119 1 N-CA-C 99.92 -4.104 . . . . 0.0 99.92 -177.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.4 t -134.3 117.9 26.0 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.962 0 N-CA-C 101.858 -3.386 . . . . 0.0 101.858 -168.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.5 p -137.74 109.73 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.624 3.792 0 O-C-N 118.536 -2.603 . . . . 0.0 110.339 -156.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -73.13 148.11 44.22 Favored 'General case' 0 CA--C 1.606 3.106 1 O-C-N 130.09 4.619 . . . . 0.0 111.29 170.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -143.88 104.49 4.17 Favored 'General case' 0 C--O 1.276 2.458 1 N-CA-C 97.179 -5.119 . . . . 0.0 97.179 -171.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.461 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 1.7 t -151.12 145.75 25.67 Favored 'General case' 0 C--O 1.271 2.198 1 CA-C-O 131.562 5.458 . . . . 0.0 100.436 -166.462 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.17 145.35 37.74 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 108.916 -3.766 . . . . 0.0 112.679 167.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.7 t -54.45 -49.25 70.48 Favored 'General case' 0 N--CA 1.534 3.774 1 CA-C-O 110.852 -4.404 . . . . 0.0 114.169 161.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -59.21 76.4 0.01 OUTLIER 'General case' 1 CA--C 1.644 4.578 1 O-C-N 129.58 4.3 . . . . 0.0 115.92 158.652 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.9 t -164.31 79.39 1.44 Allowed Pre-proline 0 N--CA 1.534 3.748 0 CA-C-N 120.205 1.366 . . . . 0.0 110.505 -171.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.88 -43.97 38.82 Favored 'Trans proline' 1 CA--C 1.613 4.452 1 C-N-CA 125.491 4.128 . . . . 0.0 115.982 163.42 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.287 52.8 Cg_exo -46.06 -58.5 1.62 Allowed 'Trans proline' 0 CA--C 1.593 3.43 0 C-N-CA 124.377 3.384 . . . . 0.0 115.649 165.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.443 38.6 m -56.48 -28.21 59.1 Favored 'General case' 0 C--N 1.363 1.183 1 N-CA-C 123.889 4.774 . . . . 0.0 123.889 158.706 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.288 81.8 tttt -51.41 -52.31 47.21 Favored 'General case' 0 CA--C 1.603 3.012 0 CA-C-N 122.657 2.481 . . . . 0.0 111.442 168.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.389 4.4 ptt? -61.96 -52.88 62.24 Favored 'General case' 0 N--CA 1.53 3.563 0 N-CA-C 119.714 3.227 . . . . 0.0 119.714 156.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.617 1.2 tp -43.89 -37.5 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.364 1 N-CA-C 122.271 4.174 . . . . 0.0 122.271 177.865 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.21 -52.79 70.13 Favored Pre-proline 0 N--CA 1.504 2.254 0 CA-C-O 115.716 -2.088 . . . . 0.0 114.822 165.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.84 -48.33 18.27 Favored 'Trans proline' 0 C--N 1.385 2.463 0 CA-C-N 124.57 2.668 . . . . 0.0 118.743 158.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.269 51.5 mm -55.3 -52.19 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.192 0 O-C-N 118.266 -2.771 . . . . 0.0 111.648 172.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -57.43 -43.69 84.05 Favored 'General case' 0 CA--C 1.6 2.883 0 O-C-N 119.272 -2.143 . . . . 0.0 113.11 175.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.54 -46.33 87.06 Favored 'General case' 0 CA--C 1.579 2.073 1 N-CA-C 123.239 4.533 . . . . 0.0 123.239 160.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.331 18.6 tt0 -54.22 -42.67 70.09 Favored 'General case' 0 N--CA 1.513 2.706 0 CA-C-O 128.031 3.777 . . . . 0.0 117.263 165.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -59.42 -52.65 64.69 Favored 'General case' 0 C--N 1.279 -2.498 0 CA-C-N 112.047 -2.342 . . . . 0.0 115.352 171.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.6 -46.05 73.73 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 118.03 2.604 . . . . 0.0 118.03 170.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -51.64 -43.54 62.65 Favored 'General case' 0 CA--C 1.618 3.572 0 C-N-CA 125.515 1.526 . . . . 0.0 114.978 164.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.3 36.9 ttmt -62.47 -31.04 71.71 Favored 'General case' 0 CA--C 1.607 3.147 0 N-CA-C 117.078 2.251 . . . . 0.0 117.078 173.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.443 ' HB3' ' CG1' ' A' ' 58' ' ' VAL . 4.7 m-85 -134.38 93.09 19.56 Favored Pre-proline 0 CA--C 1.611 3.309 0 C-N-CA 129.815 3.246 . . . . 0.0 109.463 -153.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -67.22 -29.85 38.5 Favored 'Trans proline' 0 CA--C 1.575 2.568 2 C-N-CA 130.754 7.636 . . . . 0.0 126.308 172.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -66.25 0.19 2.2 Favored 'General case' 0 C--O 1.274 2.392 0 O-C-N 126.366 2.291 . . . . 0.0 116.37 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 55' ' ' PHE 0.272 4.3 p -146.9 112.95 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.404 0 CA-C-O 124.477 2.084 . . . . 0.0 106.996 -148.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 95.8 m -70.34 154.07 42.32 Favored 'General case' 0 N--CA 1.526 3.369 0 CA-C-N 111.077 -2.783 . . . . 0.0 111.39 164.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -149.21 134.08 17.94 Favored 'General case' 0 CA--C 1.573 1.859 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -171.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.4 HD11 ' SG ' ' A' ' 9' ' ' CYS . 2.7 pp -154.71 164.8 38.23 Favored 'General case' 0 C--N 1.388 2.264 0 N-CA-C 104.373 -2.455 . . . . 0.0 104.373 -171.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -156.5 127.59 6.93 Favored 'General case' 0 CA--C 1.558 1.276 0 O-C-N 118.434 -2.666 . . . . 0.0 112.557 -169.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.7 t -93.19 124.79 45.74 Favored 'Isoleucine or valine' 0 C--O 1.248 0.993 0 CA-C-O 126.379 2.99 . . . . 0.0 107.828 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -70.8 107.67 4.1 Favored 'General case' 1 N--CA 1.561 5.112 1 O-C-N 115.992 -4.192 . . . . 0.0 108.2 146.86 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.373 0.3 OUTLIER -64.98 -43.04 96.21 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.408 0 C-N-CA 127.889 2.476 . . . . 0.0 114.627 -177.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.71 -45.99 4.93 Favored 'General case' 0 N--CA 1.521 3.091 0 O-C-N 119.532 -1.98 . . . . 0.0 114.607 168.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -53.72 -52.2 60.85 Favored 'General case' 0 CA--C 1.568 1.649 0 N-CA-C 121.77 3.989 . . . . 0.0 121.77 160.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.0 mt -134.01 45.95 2.57 Favored 'General case' 0 CA--C 1.604 3.055 0 C-N-CA 131.439 3.895 . . . . 0.0 112.975 -160.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.507 19.0 ptpt -57.24 -45.18 84.16 Favored 'General case' 0 C--N 1.284 -2.248 0 O-C-N 118.692 -2.505 . . . . 0.0 116.61 172.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.72 -72.52 0.06 Allowed 'General case' 0 CA--C 1.576 1.954 0 C-N-CA 130.441 3.497 . . . . 0.0 118.562 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.1 p -64.53 -38.32 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.129 0 CA-C-N 108.837 -3.801 . . . . 0.0 117.76 166.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.67 -40.55 75.74 Favored 'General case' 0 N--CA 1.534 3.745 1 O-C-N 114.937 -4.852 . . . . 0.0 110.83 171.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.446 ' O ' ' HA ' ' A' ' 76' ' ' ASN 0.311 36.4 tt0 -57.71 -53.84 53.68 Favored 'General case' 0 C--N 1.285 -2.203 1 O-C-N 116.082 -4.136 . . . . 0.0 116.194 167.947 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.275 0.0 OUTLIER -53.17 -41.45 65.21 Favored 'General case' 0 C--O 1.304 3.969 0 N-CA-C 120.201 3.408 . . . . 0.0 120.201 172.649 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -59.74 -51.62 68.97 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 125.025 3.557 . . . . 0.0 112.975 161.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' A' ' 73' ' ' GLU . 5.4 t-20 153.53 83.95 0.0 OUTLIER 'General case' 2 CA--C 1.653 4.915 1 CA-C-O 129.478 4.466 . . . . 0.0 106.837 149.206 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.5 t -131.63 94.24 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.588 2.422 0 O-C-N 117.035 -3.54 . . . . 0.0 108.735 -176.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.27 0.0 OUTLIER -89.0 -26.24 21.57 Favored 'General case' 1 C--O 1.139 -4.733 1 CA-C-N 108.015 -4.175 . . . . 0.0 116.112 164.66 . . . . . . . . 5 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.66 144.05 30.18 Favored 'General case' 1 N--CA 1.541 4.118 0 O-C-N 116.587 -3.821 . . . . 0.0 109.851 -160.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.461 ' SD ' ' HA ' ' A' ' 34' ' ' THR . 28.7 mmt -91.1 113.83 59.55 Favored Pre-proline 0 C--O 1.267 1.979 0 O-C-N 117.219 -3.426 . . . . 0.0 106.845 173.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.409 97.6 Cg_endo -155.62 142.45 0.0 OUTLIER 'Cis proline' 1 C--N 1.46 6.41 1 N-CA-C 123.871 4.527 . . . . 0.0 123.871 3.071 . . . . . . . . 4 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.7 m -122.2 127.72 50.33 Favored 'General case' 0 C--N 1.309 -1.186 1 CA-C-N 105.411 -5.359 . . . . 0.0 104.12 -134.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -119.08 121.17 39.22 Favored 'General case' 0 C--N 1.39 2.327 3 CA-C-N 107.384 -4.462 . . . . 0.0 99.377 -163.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.258 1.4 mt -122.32 161.36 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.396 0 CA-C-O 126.473 3.035 . . . . 0.0 106.357 -175.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -142.26 104.62 4.47 Favored 'General case' 1 N--CA 1.541 4.075 0 N-CA-C 102.441 -3.17 . . . . 0.0 102.441 -157.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.79 121.25 19.32 Favored 'General case' 0 CA--C 1.586 2.351 0 N-CA-C 102.394 -3.187 . . . . 0.0 102.394 -171.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -113.01 166.88 11.0 Favored 'General case' 0 CA--C 1.581 2.154 0 C-N-CA 130.834 3.653 . . . . 0.0 109.125 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -66.85 63.46 0.05 Allowed 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 119.245 3.054 . . . . 0.0 119.245 156.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 174.98 53.01 0.05 OUTLIER Glycine 0 CA--C 1.555 2.584 0 C-N-CA 129.502 3.43 . . . . 0.0 109.205 169.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.255 53.4 mtmt 65.24 -176.35 0.18 Allowed 'General case' 1 N--CA 1.539 4.022 1 C-N-CA 132.709 4.404 . . . . 0.0 121.746 -177.115 . . . . . . . . 4 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.43 96.85 0.12 Allowed 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 125.866 1.667 . . . . 0.0 114.477 171.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.289 29.2 m -67.3 -54.92 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.612 3.336 0 CA-C-O 115.821 -2.038 . . . . 0.0 115.656 174.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.02 169.15 24.01 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 120.157 3.391 . . . . 0.0 120.157 -169.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.9 128.3 3.21 Favored 'General case' 0 CA--C 1.579 2.06 0 O-C-N 125.006 1.441 . . . . 0.0 112.291 -170.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.5 m -146.55 148.58 32.3 Favored 'General case' 0 CA--C 1.582 2.176 0 C-N-CA 126.555 1.942 . . . . 0.0 106.546 -173.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -140.63 98.63 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.616 3.502 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 -165.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 174.48 121.19 0.62 Allowed Glycine 0 CA--C 1.558 2.771 0 O-C-N 128.674 3.734 . . . . 0.0 106.735 168.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . 0.324 . . -67.65 101.67 1.06 Allowed 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 112.148 -2.026 . . . . 0.0 111.804 159.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -152.56 115.16 4.53 Favored 'General case' 0 CA--C 1.562 1.429 0 N-CA-C 100.793 -3.78 . . . . 0.0 100.793 -170.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.15 -54.48 6.8 Favored 'General case' 0 N--CA 1.522 3.131 0 N-CA-C 118.979 2.955 . . . . 0.0 118.979 -177.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.256 6.1 p-10 -65.94 -56.8 9.88 Favored 'General case' 0 N--CA 1.511 2.622 0 C-N-CA 127.607 2.363 . . . . 0.0 114.704 167.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -34.9 -56.78 0.82 Allowed Glycine 1 N--CA 1.531 4.99 0 N-CA-C 120.847 3.099 . . . . 0.0 120.847 178.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.33 17.7 tp -48.63 -63.25 1.67 Allowed Pre-proline 0 CA--C 1.611 3.296 0 C-N-CA 127.892 2.477 . . . . 0.0 113.886 170.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -47.67 -44.37 26.33 Favored 'Trans proline' 0 C--N 1.368 1.589 0 N-CA-C 121.795 3.729 . . . . 0.0 121.795 167.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.325 5.7 m -48.13 -61.35 2.02 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 127.234 2.834 . . . . 0.0 115.261 175.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.92 -56.1 22.75 Favored 'General case' 0 CA--C 1.578 2.05 0 CA-C-O 114.092 -2.861 . . . . 0.0 114.504 175.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.278 40.4 t -45.56 -40.44 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.187 0 CA-C-N 123.739 2.972 . . . . 0.0 117.096 165.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.01 -48.36 80.27 Favored 'General case' 0 C--N 1.378 1.828 0 N-CA-C 118.994 2.961 . . . . 0.0 118.994 176.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -62.01 -42.3 99.01 Favored 'General case' 0 CA--C 1.62 3.664 0 CA-C-N 112.306 -2.225 . . . . 0.0 111.677 165.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -54.05 -58.03 8.86 Favored 'General case' 0 CA--C 1.591 2.548 1 O-C-N 114.886 -4.884 . . . . 0.0 118.829 165.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.04 -40.43 67.1 Favored 'General case' 0 N--CA 1.527 3.412 0 N-CA-C 119.412 3.116 . . . . 0.0 119.412 174.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 94.6 m -70.64 -64.97 0.8 Allowed 'General case' 0 CA--C 1.58 2.106 1 C-N-CA 132.318 4.247 . . . . 0.0 111.871 167.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . 0.341 . . . . . . . 0 CA--C 1.584 2.273 0 O-C-N 118.29 -2.756 . . . . 0.0 116.024 167.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.813 0 N-CA-C 105.056 -2.201 . . . . 0.0 105.056 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -134.54 122.97 23.15 Favored 'General case' 0 N--CA 1.512 2.638 0 CA-C-N 109.897 -3.32 . . . . 0.0 103.668 -160.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.271 0.3 OUTLIER -155.46 165.95 35.03 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 126.693 2.495 . . . . 0.0 109.127 -168.574 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.72 158.96 51.85 Favored Glycine 0 N--CA 1.513 3.801 0 C-N-CA 127.442 2.449 . . . . 0.0 112.459 164.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -144.16 116.03 8.29 Favored 'General case' 0 C--O 1.179 -2.629 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 -155.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.4 t -90.31 116.77 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-O 125.012 2.339 . . . . 0.0 108.499 172.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.37 121.23 45.29 Favored 'Isoleucine or valine' 0 CA--C 1.612 3.355 0 C-N-CA 129.367 3.067 . . . . 0.0 106.696 -176.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.72 149.3 49.4 Favored 'General case' 0 CA--C 1.583 2.241 0 N-CA-C 117.292 2.33 . . . . 0.0 117.292 166.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.529 ' SG ' HD11 ' A' ' 61' ' ' LEU . 82.2 m -138.24 139.06 39.05 Favored 'General case' 0 CA--C 1.594 2.669 0 CA-C-O 125.666 2.651 . . . . 0.0 110.828 -167.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -149.36 -11.17 0.31 Allowed 'General case' 0 CA--C 1.588 2.417 0 O-C-N 118.644 -2.535 . . . . 0.0 115.49 -165.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.5 p -155.69 -174.48 4.98 Favored 'General case' 0 C--N 1.391 2.379 0 O-C-N 116.982 -3.574 . . . . 0.0 106.872 -163.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.343 14.8 p -55.77 -23.01 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.554 0 O-C-N 118.642 -2.536 . . . . 0.0 116.293 166.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -50.33 -45.96 55.25 Favored 'General case' 0 N--CA 1.519 2.982 0 N-CA-C 118.408 2.744 . . . . 0.0 118.408 167.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.7 -33.91 72.21 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 119.181 3.03 . . . . 0.0 119.181 162.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -54.3 -42.54 70.2 Favored 'General case' 0 CA--C 1.586 2.354 0 CA-C-O 115.468 -2.206 . . . . 0.0 112.812 165.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -60.26 -58.6 7.83 Favored 'General case' 0 CA--C 1.585 2.297 0 O-C-N 128.546 3.654 . . . . 0.0 114.13 164.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.32 27.2 mt-10 -43.72 -59.0 2.41 Favored 'General case' 0 N--CA 1.538 3.969 0 O-C-N 119.104 -2.248 . . . . 0.0 116.326 175.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -51.97 -66.11 0.44 Allowed 'General case' 0 CA--C 1.607 3.144 1 CA-C-O 129.005 4.241 . . . . 0.0 115.081 -177.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.25 41.1 m-85 -60.64 -58.21 9.45 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 113.807 -2.997 . . . . 0.0 117.385 177.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -53.34 -50.33 65.25 Favored 'General case' 0 N--CA 1.529 3.489 0 O-C-N 127.129 2.768 . . . . 0.0 115.793 174.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -59.73 -59.94 4.63 Favored 'General case' 0 CA--C 1.586 2.365 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 170.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.34 -83.93 0.02 OUTLIER Glycine 0 N--CA 1.512 3.737 0 C-N-CA 127.1 2.286 . . . . 0.0 114.498 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -71.81 97.95 1.89 Allowed 'General case' 0 C--O 1.268 2.066 0 CA-C-O 127.641 3.591 . . . . 0.0 111.226 154.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.95 -46.66 0.36 Allowed Glycine 0 CA--C 1.534 1.237 0 CA-C-N 109.805 -3.361 . . . . 0.0 114.482 163.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -110.85 140.52 45.23 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 129.145 3.497 . . . . 0.0 104.373 -172.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -60.57 72.87 0.01 OUTLIER 'General case' 0 N--CA 1.533 3.68 0 CA-C-O 127.887 3.708 . . . . 0.0 116.557 169.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -162.27 155.97 20.99 Favored 'General case' 0 C--N 1.418 3.558 1 O-C-N 116.122 -4.111 . . . . 0.0 115.272 -176.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.7 tp -83.75 153.79 23.94 Favored 'General case' 0 N--CA 1.526 3.329 0 C-N-CA 126.119 1.768 . . . . 0.0 108.616 155.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -151.71 135.38 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 N-CA-C 103.291 -2.855 . . . . 0.0 103.291 -174.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.8 142.41 44.06 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 C-N-CA 128.605 2.762 . . . . 0.0 109.65 -167.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.306 1.0 OUTLIER -151.33 103.85 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.622 3.723 0 O-C-N 120.06 -1.65 . . . . 0.0 106.929 -166.071 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -76.33 104.38 6.83 Favored 'General case' 0 CA--C 1.601 2.926 0 C-N-CA 131.675 3.99 . . . . 0.0 113.13 170.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -86.6 105.08 16.61 Favored 'General case' 0 C--O 1.299 3.66 0 C-N-CA 129.49 3.116 . . . . 0.0 103.216 171.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.433 ' HG1' ' N ' ' A' ' 35' ' ' ALA . 9.3 t -158.04 157.66 33.34 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 119.752 -1.842 . . . . 0.0 109.492 -173.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.433 ' N ' ' HG1' ' A' ' 34' ' ' THR 0.281 . . -100.44 147.65 25.62 Favored 'General case' 0 N--CA 1.508 2.433 0 CA-C-O 126.101 2.858 . . . . 0.0 108.989 176.541 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 t -52.87 -40.85 63.78 Favored 'General case' 0 N--CA 1.535 3.805 0 N-CA-C 117.647 2.462 . . . . 0.0 117.647 168.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.359 47.4 p-90 -71.31 79.02 0.73 Allowed 'General case' 0 CA--C 1.571 1.78 0 O-C-N 127.486 2.991 . . . . 0.0 112.957 160.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.7 t -164.0 94.63 1.02 Allowed Pre-proline 0 CA--C 1.559 1.294 0 N-CA-C 104.117 -2.549 . . . . 0.0 104.117 176.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.262 6.9 Cg_endo -53.84 -43.51 57.42 Favored 'Trans proline' 1 CA--C 1.608 4.175 1 C-N-CA 125.347 4.031 . . . . 0.0 116.393 167.322 . . . . . . . . 4 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.381 39.6 Cg_exo -47.5 -56.57 2.95 Favored 'Trans proline' 0 C--N 1.372 1.805 1 C-N-CA 126.14 4.56 . . . . 0.0 117.914 168.082 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.289 71.8 m -63.84 -18.72 64.42 Favored 'General case' 0 CA--C 1.478 -1.797 0 N-CA-C 119.907 3.299 . . . . 0.0 119.907 158.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.277 62.7 mttp -54.21 -58.99 5.3 Favored 'General case' 0 N--CA 1.517 2.904 0 O-C-N 116.375 -3.953 . . . . 0.0 114.135 160.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.384 15.3 ptt? -50.98 -38.01 48.32 Favored 'General case' 1 CA--C 1.656 5.05 0 O-C-N 117.281 -3.387 . . . . 0.0 120.082 162.666 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.521 1.0 OUTLIER -64.08 -24.75 36.48 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.493 0 N-CA-C 119.264 3.061 . . . . 0.0 119.264 168.859 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.298 . . -56.24 -63.49 3.32 Favored Pre-proline 0 N--CA 1.501 2.091 0 CA-C-N 123.626 2.921 . . . . 0.0 114.699 164.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . 0.316 28.1 Cg_endo -48.82 -39.34 39.12 Favored 'Trans proline' 0 C--O 1.259 1.542 0 N-CA-C 120.73 3.319 . . . . 0.0 120.73 159.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.42 46.8 mm -60.48 -52.51 60.55 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.907 0 CA-C-N 123.793 2.997 . . . . 0.0 112.771 173.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -47.62 -55.5 9.21 Favored 'General case' 0 CA--C 1.571 1.782 0 CA-C-O 113.866 -2.969 . . . . 0.0 114.175 169.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.09 -44.3 87.54 Favored 'General case' 0 CA--C 1.61 3.263 1 N-CA-C 123.959 4.8 . . . . 0.0 123.959 165.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.341 3.1 tm-20 -45.12 -64.79 0.64 Allowed 'General case' 0 CA--C 1.588 2.436 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 166.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.346 0.7 OUTLIER -61.15 -37.72 83.89 Favored 'General case' 0 CA--C 1.604 3.036 0 O-C-N 127.916 3.26 . . . . 0.0 114.574 174.078 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.42 -45.84 73.08 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 118.374 -2.704 . . . . 0.0 117.409 162.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -59.74 -30.35 68.78 Favored 'General case' 0 N--CA 1.528 3.426 0 N-CA-C 120.234 3.42 . . . . 0.0 120.234 163.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -66.25 -40.84 90.47 Favored 'General case' 0 CA--C 1.583 2.239 0 CA-C-O 123.545 1.64 . . . . 0.0 113.795 170.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -126.95 99.47 28.88 Favored Pre-proline 0 CA--C 1.6 2.889 0 C-N-CA 130.413 3.485 . . . . 0.0 103.43 -155.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.356 35.6 Cg_endo -73.42 -24.4 16.44 Favored 'Trans proline' 1 CA--C 1.611 4.367 2 C-N-CA 132.274 8.65 . . . . 0.0 122.994 176.438 . . . . . . . . 4 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -79.53 18.17 0.77 Allowed 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 129.723 3.209 . . . . 0.0 117.262 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.258 7.7 p -155.41 118.74 0.44 Allowed 'Isoleucine or valine' 1 CA--C 1.655 4.986 0 C-N-CA 116.723 -1.991 . . . . 0.0 109.353 -158.432 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.1 m -84.76 154.96 22.07 Favored 'General case' 0 CA--C 1.574 1.88 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 169.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -145.92 129.2 16.74 Favored 'General case' 0 CA--C 1.585 2.325 0 CA-C-N 109.545 -3.479 . . . . 0.0 109.977 -171.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.529 HD11 ' SG ' ' A' ' 9' ' ' CYS 0.418 2.1 pp -144.14 158.61 43.62 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 127.299 3.428 . . . . 0.0 103.602 -170.4 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -150.76 114.53 4.97 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 110.89 -2.868 . . . . 0.0 111.773 -174.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 73.9 t -84.72 128.68 38.72 Favored 'Isoleucine or valine' 0 C--N 1.36 1.056 0 C-N-CA 127.976 2.51 . . . . 0.0 112.134 173.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -69.38 100.27 1.34 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.573 1.949 . . . . 0.0 108.365 156.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.389 8.9 p -48.09 -41.19 9.76 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.93 0 N-CA-C 118.88 2.918 . . . . 0.0 118.88 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -50.25 -33.19 18.84 Favored 'General case' 0 N--CA 1.517 2.901 0 N-CA-C 118.57 2.804 . . . . 0.0 118.57 171.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -62.89 -54.6 36.2 Favored 'General case' 0 N--CA 1.517 2.886 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 163.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.7 mt -130.07 48.75 2.35 Favored 'General case' 0 CA--C 1.579 2.067 0 C-N-CA 128.749 2.82 . . . . 0.0 109.063 -158.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -65.02 -48.27 74.52 Favored 'General case' 0 CA--C 1.616 3.495 0 CA-C-O 114.398 -2.715 . . . . 0.0 116.941 165.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.252 . . -50.71 -55.06 18.35 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 128.644 2.778 . . . . 0.0 113.65 173.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.338 5.4 p -61.85 -50.19 81.16 Favored 'Isoleucine or valine' 0 CA--C 1.612 3.34 0 N-CA-C 118.325 2.713 . . . . 0.0 118.325 167.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.76 -51.11 9.69 Favored 'General case' 0 C--O 1.27 2.152 0 N-CA-C 115.467 1.655 . . . . 0.0 115.467 168.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -52.16 -47.12 65.65 Favored 'General case' 0 C--N 1.382 2.019 0 CA-C-O 116.01 -1.947 . . . . 0.0 115.174 172.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.591 3.8 pt-20 -54.39 -62.98 1.3 Allowed 'General case' 0 C--N 1.396 2.6 1 CA-C-O 111.607 -4.045 . . . . 0.0 116.59 176.131 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -43.28 -47.89 6.65 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-N 124.105 3.139 . . . . 0.0 119.372 166.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.3 t30 151.53 82.63 0.0 OUTLIER 'General case' 1 N--CA 1.544 4.239 0 N-CA-C 100.562 -3.866 . . . . 0.0 100.562 149.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.3 t -151.26 74.57 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.613 3.396 0 C-N-CA 126.787 2.035 . . . . 0.0 109.683 -169.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -72.69 -7.7 51.75 Favored 'General case' 0 CA--C 1.58 2.106 0 O-C-N 128.76 3.787 . . . . 0.0 118.59 149.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.64 118.53 11.17 Favored 'General case' 0 C--N 1.4 2.792 0 C-N-CA 128.71 2.804 . . . . 0.0 118.001 -163.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.415 ' HA ' ' HA ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -67.95 116.93 43.55 Favored Pre-proline 0 CA--C 1.592 2.558 0 CA-C-N 112.97 -1.923 . . . . 0.0 113.918 166.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.415 ' HA ' ' HA ' ' A' ' 80' ' ' MET 0.419 29.1 Cg_endo -153.97 128.88 0.0 OUTLIER 'Cis proline' 2 N--CA 1.575 6.291 0 N-CA-C 120.692 3.305 . . . . 0.0 120.692 0.681 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.2 m -95.96 136.05 36.91 Favored 'General case' 1 C--N 1.455 5.161 3 O-C-N 135.799 8.187 . . . . 0.0 99.788 -154.604 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -106.09 129.99 54.08 Favored 'General case' 0 CA--C 1.474 -1.962 1 CA-C-N 103.499 -6.228 . . . . 0.0 103.448 171.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.54 145.25 34.39 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.352 0 C-N-CA 129.213 3.005 . . . . 0.0 108.597 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -141.18 121.27 13.75 Favored 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 124.706 1.202 . . . . 0.0 110.674 -157.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.86 127.64 29.2 Favored 'General case' 1 CA--C 1.653 4.906 1 O-C-N 130.446 4.841 . . . . 0.0 103.797 -170.943 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.252 29.9 tptt -95.58 170.78 9.1 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 131.096 3.759 . . . . 0.0 113.722 167.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -59.25 29.17 0.01 OUTLIER 'General case' 0 N--CA 1.521 3.106 0 N-CA-C 117.137 2.273 . . . . 0.0 117.137 157.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.05 40.78 0.21 Allowed Glycine 2 CA--C 1.634 7.502 0 CA-C-O 124.983 2.435 . . . . 0.0 118.43 -178.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.302 19.1 mttt 85.37 178.19 0.04 OUTLIER 'General case' 0 N--CA 1.513 2.686 0 CA-C-O 112.44 -3.648 . . . . 0.0 115.547 171.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.1 tp -47.16 108.91 0.16 Allowed 'General case' 1 CA--C 1.637 4.308 0 O-C-N 126.1 2.125 . . . . 0.0 113.838 172.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.266 5.5 m -81.6 -45.36 20.44 Favored 'Isoleucine or valine' 0 C--O 1.262 1.736 0 CA-C-N 112.368 -2.196 . . . . 0.0 114.059 169.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -169.55 170.1 8.38 Favored 'General case' 0 N--CA 1.524 3.265 0 CA-C-N 122.061 2.209 . . . . 0.0 113.168 -174.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -153.09 134.37 14.23 Favored 'General case' 0 C--O 1.288 3.129 0 C-N-CA 128.323 2.649 . . . . 0.0 105.969 -178.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 76.7 m -161.48 143.91 12.02 Favored 'General case' 0 N--CA 1.521 3.095 0 CA-C-O 127.402 3.477 . . . . 0.0 107.961 -175.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.307 2.4 p -130.38 108.05 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.81 0 CA-C-N 110.699 -2.955 . . . . 0.0 103.064 -157.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -171.68 -160.39 20.12 Favored Glycine 0 C--N 1.389 3.502 0 CA-C-O 117.137 -1.924 . . . . 0.0 111.267 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -172.47 107.2 0.19 Allowed 'General case' 0 CA--C 1.598 2.818 0 C-N-CA 127.5 2.32 . . . . 0.0 105.092 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -170.12 127.46 0.85 Allowed 'General case' 0 N--CA 1.515 2.814 0 CA-C-N 112.499 -2.137 . . . . 0.0 110.568 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -47.79 -49.91 27.36 Favored 'General case' 0 CA--C 1.602 2.963 0 N-CA-C 120.242 3.423 . . . . 0.0 120.242 174.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -71.32 -42.24 68.84 Favored 'General case' 0 CA--C 1.594 2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 113.856 164.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -43.95 -55.8 5.45 Favored Glycine 1 N--CA 1.534 5.231 0 N-CA-C 121.113 3.205 . . . . 0.0 121.113 177.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.66 -53.62 21.18 Favored Pre-proline 0 CA--C 1.591 2.533 0 CA-C-O 116.708 -1.615 . . . . 0.0 112.463 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -43.86 -49.81 7.87 Favored 'Trans proline' 0 N--CA 1.441 -1.58 0 N-CA-C 120.416 3.198 . . . . 0.0 120.416 160.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.4 m -52.1 -60.9 2.65 Favored 'General case' 0 CA--C 1.596 2.719 0 O-C-N 117.856 -3.027 . . . . 0.0 113.639 171.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.359 50.0 tp -51.56 -56.35 14.01 Favored 'General case' 0 CA--C 1.573 1.845 0 C-N-CA 127.276 2.23 . . . . 0.0 114.792 177.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.286 11.7 t -53.58 -56.2 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.836 0 CA-C-O 114.609 -2.615 . . . . 0.0 116.303 163.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.28 -52.57 7.42 Favored 'General case' 0 CA--C 1.609 3.218 0 CA-C-O 124.349 2.024 . . . . 0.0 112.349 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -53.16 -39.78 63.82 Favored 'General case' 0 C--N 1.381 1.955 0 N-CA-C 118.449 2.759 . . . . 0.0 118.449 172.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -71.16 -60.24 2.34 Favored 'General case' 0 CA--C 1.582 2.184 0 CA-C-O 125.646 2.641 . . . . 0.0 117.847 168.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.29 -48.39 68.4 Favored 'General case' 0 C--O 1.203 -1.378 0 CA-C-O 112.008 -3.853 . . . . 0.0 117.974 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 23.5 m -56.95 -57.31 13.09 Favored 'General case' 0 CA--C 1.606 3.107 0 N-CA-C 120.746 3.61 . . . . 0.0 120.746 163.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--O 1.368 7.315 0 O-C-N 117.38 -3.325 . . . . 0.0 109.666 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 CA--C 1.604 3.057 0 CA-C-O 120.674 0.273 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.11 157.83 53.36 Favored Glycine 0 CA--C 1.557 2.658 0 O-C-N 127.81 3.194 . . . . 0.0 109.236 165.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -135.82 111.25 9.14 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 102.603 -3.11 . . . . 0.0 102.603 -165.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -78.84 116.35 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.277 0 C-N-CA 127.265 2.226 . . . . 0.0 109.509 163.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.258 0.3 OUTLIER -120.62 127.27 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 -178.462 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.93 149.14 39.5 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 128.509 2.724 . . . . 0.0 115.249 167.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.3 m -150.98 145.17 25.38 Favored 'General case' 0 CA--C 1.601 2.928 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -160.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -141.55 -42.81 0.36 Allowed 'General case' 0 C--O 1.248 0.975 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -147.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 p -145.29 -169.57 3.23 Favored 'General case' 0 CA--C 1.584 2.251 0 C-N-CA 126.612 1.965 . . . . 0.0 110.903 -162.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.263 8.0 p -48.37 -24.0 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 117.213 2.301 . . . . 0.0 117.213 165.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.5 -39.64 67.78 Favored 'General case' 0 CA--C 1.572 1.802 0 N-CA-C 120.096 3.369 . . . . 0.0 120.096 165.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.326 1.6 t -59.87 -35.13 74.16 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 119.776 3.25 . . . . 0.0 119.776 159.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -49.69 -44.21 47.91 Favored 'General case' 0 C--N 1.377 1.799 0 O-C-N 119.256 -2.153 . . . . 0.0 115.276 163.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -57.77 -56.06 26.8 Favored 'General case' 0 C--O 1.206 -1.233 0 O-C-N 121.131 -0.98 . . . . 0.0 113.608 166.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.33 -61.02 2.9 Favored 'General case' 0 CA--C 1.611 3.304 0 O-C-N 117.717 -3.114 . . . . 0.0 116.06 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -50.66 -65.1 0.62 Allowed 'General case' 0 CA--C 1.573 1.848 0 N-CA-C 116.952 2.204 . . . . 0.0 116.952 176.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.304 7.7 t80 -56.3 -55.76 29.44 Favored 'General case' 0 CA--C 1.591 2.521 1 N-CA-C 123.331 4.567 . . . . 0.0 123.331 177.286 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.535 39.6 mm-40 -63.31 -38.38 90.95 Favored 'General case' 0 CA--C 1.583 2.234 0 N-CA-C 120.971 3.693 . . . . 0.0 120.971 171.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.264 30.6 mmtp -58.57 -65.45 0.65 Allowed 'General case' 0 CA--C 1.568 1.655 0 CA-C-O 117.223 -1.37 . . . . 0.0 114.083 156.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.31 -79.47 0.06 OUTLIER Glycine 1 CA--C 1.585 4.426 0 C-N-CA 128.357 2.884 . . . . 0.0 117.149 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -79.41 78.93 5.9 Favored 'General case' 0 C--N 1.376 1.74 0 C-N-CA 127.541 2.336 . . . . 0.0 112.302 161.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.61 -39.06 0.12 Allowed Glycine 0 C--O 1.248 1.023 0 CA-C-N 112.929 -1.941 . . . . 0.0 116.586 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.9 m -119.43 139.27 52.31 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 129.508 3.123 . . . . 0.0 105.844 -175.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -71.75 87.15 0.96 Allowed 'General case' 0 C--O 1.272 2.289 0 CA-C-N 110.899 -2.864 . . . . 0.0 110.955 166.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -166.41 154.79 10.54 Favored 'General case' 0 CA--C 1.584 2.285 0 O-C-N 127.625 3.078 . . . . 0.0 111.646 176.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.9 tp -76.4 153.09 36.01 Favored 'General case' 0 CA--C 1.583 2.213 0 CA-C-O 123.165 1.459 . . . . 0.0 108.605 153.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -146.45 134.26 15.27 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.076 0 N-CA-C 104.562 -2.385 . . . . 0.0 104.562 -179.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 59.3 t -136.98 134.12 47.98 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.124 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 -166.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 p -147.27 122.64 2.56 Favored 'Isoleucine or valine' 0 C--N 1.369 1.428 0 CA-C-N 112.65 -2.068 . . . . 0.0 108.629 -168.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -81.7 146.03 30.21 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-N 111.878 -2.419 . . . . 0.0 108.331 165.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -125.71 100.06 6.26 Favored 'General case' 0 C--O 1.275 2.426 0 C-N-CA 130.278 3.431 . . . . 0.0 102.988 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.528 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 9.6 t -145.65 138.14 25.73 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 128.896 2.879 . . . . 0.0 107.542 -168.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.27 . . -73.8 139.86 45.44 Favored 'General case' 0 CA--C 1.565 1.531 0 CA-C-N 110.91 -2.859 . . . . 0.0 109.162 161.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.1 t -55.82 -39.78 71.84 Favored 'General case' 0 CA--C 1.609 3.215 0 CA-C-N 112.543 -2.117 . . . . 0.0 115.76 172.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.271 45.6 p-90 -59.86 90.73 0.02 OUTLIER 'General case' 0 C--N 1.374 1.644 0 N-CA-C 119.383 3.105 . . . . 0.0 119.383 143.454 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.7 t -175.52 89.63 0.29 Allowed Pre-proline 0 CA--C 1.56 1.335 0 C-N-CA 126.098 1.759 . . . . 0.0 106.936 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -56.15 -41.42 76.96 Favored 'Trans proline' 1 CA--C 1.606 4.124 0 C-N-CA 123.046 2.498 . . . . 0.0 115.842 163.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -47.04 -50.25 11.29 Favored 'Trans proline' 0 CA--C 1.574 2.503 0 CA-C-N 127.163 3.594 . . . . 0.0 120.788 162.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.512 77.1 m -60.47 -25.36 65.97 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 121.18 3.77 . . . . 0.0 121.18 159.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -59.98 -43.93 94.82 Favored 'General case' 0 N--CA 1.51 2.57 1 N-CA-C 122.061 4.096 . . . . 0.0 122.061 162.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.268 8.7 ptt? -61.2 -46.09 91.9 Favored 'General case' 0 CA--C 1.625 3.862 0 N-CA-C 116.334 1.976 . . . . 0.0 116.334 157.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.449 1.0 OUTLIER -56.69 -43.32 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 175.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.17 -56.39 10.85 Favored Pre-proline 0 CA--C 1.599 2.852 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 168.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . 0.364 38.8 Cg_exo -48.04 -40.07 33.43 Favored 'Trans proline' 0 C--N 1.375 1.931 1 N-CA-C 123.688 4.457 . . . . 0.0 123.688 157.613 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.417 50.2 mm -57.62 -54.26 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 118.738 -2.476 . . . . 0.0 111.625 171.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.482 ' HD1' HD21 ' A' ' 103' ' ' LEU . 8.9 t80 -55.23 -33.16 62.88 Favored 'General case' 0 C--O 1.251 1.154 0 N-CA-C 117.934 2.568 . . . . 0.0 117.934 169.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.96 -54.08 14.91 Favored 'General case' 0 CA--C 1.602 2.953 0 C-N-CA 131.222 3.809 . . . . 0.0 116.768 164.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -51.79 -52.6 47.81 Favored 'General case' 0 CA--C 1.592 2.575 0 O-C-N 116.922 -3.612 . . . . 0.0 112.989 169.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -51.34 -46.42 62.66 Favored 'General case' 0 N--CA 1.526 3.374 0 O-C-N 118.446 -2.659 . . . . 0.0 115.529 168.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.09 -50.4 20.02 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 120.193 3.405 . . . . 0.0 120.193 166.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -57.05 -29.7 63.64 Favored 'General case' 0 N--CA 1.514 2.76 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 165.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.298 17.4 ttmt -70.77 -34.1 71.45 Favored 'General case' 0 CA--C 1.593 2.611 0 C-N-CA 130.919 3.688 . . . . 0.0 114.261 172.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.417 ' HB3' ' CG1' ' A' ' 58' ' ' VAL . 6.8 m-85 -133.93 94.67 18.2 Favored Pre-proline 0 CA--C 1.621 3.68 0 C-N-CA 127.871 2.468 . . . . 0.0 105.925 -158.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.3 86.2 Cg_endo -69.52 -33.84 16.64 Favored 'Trans proline' 0 C--O 1.27 2.107 2 N-CA-C 126.079 5.376 . . . . 0.0 126.079 166.455 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.276 17.9 p30 -61.29 -4.39 1.19 Allowed 'General case' 0 CA--C 1.602 2.969 0 C-N-CA 129.05 2.94 . . . . 0.0 115.903 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 55' ' ' PHE . 6.4 p -145.28 108.67 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.587 2.396 0 CA-C-O 123.49 1.614 . . . . 0.0 107.954 -150.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.9 m -68.47 152.46 45.36 Favored 'General case' 0 CA--C 1.594 2.635 0 CA-C-O 125.909 2.766 . . . . 0.0 112.196 166.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -138.5 131.34 29.51 Favored 'General case' 0 CA--C 1.558 1.267 0 CA-C-N 112.679 -2.055 . . . . 0.0 108.126 -169.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.432 0.6 OUTLIER -153.73 160.07 42.18 Favored 'General case' 0 N--CA 1.432 -1.352 0 C-N-CA 125.207 1.403 . . . . 0.0 107.567 -171.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -156.75 122.44 4.79 Favored 'General case' 0 N--CA 1.53 3.565 0 N-CA-C 105.028 -2.212 . . . . 0.0 105.028 -168.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.4 t -102.47 125.86 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.603 0 C-N-CA 130.169 3.388 . . . . 0.0 111.139 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -66.11 102.89 0.87 Allowed 'General case' 0 N--CA 1.522 3.163 1 O-C-N 129.76 4.413 . . . . 0.0 110.633 159.25 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.282 1.6 p -52.69 -44.8 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.323 0 CA-C-N 113.656 -1.611 . . . . 0.0 113.438 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.361 5.3 m-20 -49.06 -45.52 43.05 Favored 'General case' 0 N--CA 1.517 2.908 0 C-N-CA 125.606 1.562 . . . . 0.0 112.849 170.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.379 34.3 mt-10 -58.43 -40.27 82.04 Favored 'General case' 0 N--CA 1.507 2.424 0 N-CA-C 120.881 3.66 . . . . 0.0 120.881 165.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.5 mt -148.99 54.35 0.98 Allowed 'General case' 0 CA--C 1.579 2.071 0 CA-C-O 123.896 1.808 . . . . 0.0 109.861 -162.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -66.44 -40.97 89.77 Favored 'General case' 0 N--CA 1.49 1.556 1 CA-C-O 109.437 -5.078 . . . . 0.0 118.728 166.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.452 . . -41.79 -65.14 0.48 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 127.644 3.09 . . . . 0.0 117.119 172.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.0 p -59.42 -44.5 92.79 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 O-C-N 127.544 3.028 . . . . 0.0 118.561 165.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 77' ' ' VAL . . . -51.33 -51.61 52.84 Favored 'General case' 1 N--CA 1.549 4.478 1 O-C-N 115.206 -4.684 . . . . 0.0 112.14 177.849 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -57.79 -52.21 66.42 Favored 'General case' 0 N--CA 1.506 2.343 0 CA-C-N 109.118 -3.674 . . . . 0.0 108.526 174.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.549 0.0 OUTLIER -46.79 -53.89 10.97 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-N 123.446 2.839 . . . . 0.0 116.234 174.064 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -51.48 -52.43 46.66 Favored 'General case' 0 CA--C 1.581 2.156 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 173.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.28 26.0 t-20 151.15 97.69 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.919 0 O-C-N 127.615 3.072 . . . . 0.0 102.752 157.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 72' ' ' ALA . 15.7 t -154.38 76.16 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.511 2.615 1 N-CA-C 99.346 -4.316 . . . . 0.0 99.346 -173.369 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.299 0.9 OUTLIER -68.62 -10.45 56.11 Favored 'General case' 0 CA--C 1.614 3.408 0 C-N-CA 126.76 2.024 . . . . 0.0 116.105 147.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.0 140.11 22.08 Favored 'General case' 1 CA--C 1.649 4.769 0 CA-C-O 127.648 3.594 . . . . 0.0 110.19 -162.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.528 ' SD ' ' HA ' ' A' ' 34' ' ' THR . 31.9 mmt -78.02 115.44 50.53 Favored Pre-proline 1 N--CA 1.593 6.725 0 O-C-N 118.575 -2.578 . . . . 0.0 111.419 164.623 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 80' ' ' MET 0.447 35.0 Cg_endo -154.25 142.75 0.0 OUTLIER 'Cis proline' 2 C--N 1.46 6.438 2 CA-C-O 136.051 6.605 . . . . 0.0 105.273 1.263 . . . . . . . . 5 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 96' ' ' VAL . 18.8 m -110.05 112.99 25.34 Favored 'General case' 2 N--CA 1.56 5.047 1 CA-C-N 102.61 -6.632 . . . . 0.0 107.385 -152.975 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.421 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 44.6 m-85 -87.81 120.24 28.94 Favored 'General case' 0 CA--C 1.563 1.472 0 C-N-CA 129.031 2.932 . . . . 0.0 112.672 163.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 30' ' ' VAL 0.476 1.7 mt -107.41 153.92 8.56 Favored 'Isoleucine or valine' 0 C--O 1.296 3.546 1 C-N-CA 132.0 4.12 . . . . 0.0 111.703 177.326 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -135.28 107.56 7.26 Favored 'General case' 0 N--CA 1.484 1.242 1 CA-C-N 108.01 -4.177 . . . . 0.0 111.845 -167.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.13 124.93 16.97 Favored 'General case' 0 N--CA 1.405 -2.707 0 N-CA-C 100.939 -3.726 . . . . 0.0 100.939 -167.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -125.94 178.31 5.82 Favored 'General case' 0 CA--C 1.577 1.981 0 CA-C-N 110.462 -3.063 . . . . 0.0 107.132 -168.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -62.86 49.01 0.01 OUTLIER 'General case' 0 CA--C 1.629 4.0 0 N-CA-C 118.121 2.637 . . . . 0.0 118.121 158.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.12 59.92 0.06 OUTLIER Glycine 0 C--N 1.289 -2.037 0 C-N-CA 128.34 2.876 . . . . 0.0 116.217 168.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.535 ' HG2' ' H ' ' A' ' 91' ' ' LEU 0.422 39.3 ttmt 56.18 -167.11 0.11 Allowed 'General case' 0 CA--C 1.602 2.973 0 N-CA-C 119.786 3.254 . . . . 0.0 119.786 -172.013 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.535 ' H ' ' HG2' ' A' ' 90' ' ' LYS . 43.4 tp -56.22 101.25 0.05 Allowed 'General case' 0 N--CA 1.512 2.64 0 CA-C-O 123.612 1.673 . . . . 0.0 112.578 167.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.459 27.6 m -69.41 -51.41 42.62 Favored 'Isoleucine or valine' 0 C--N 1.393 2.484 0 N-CA-C 117.988 2.588 . . . . 0.0 117.988 167.026 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -152.26 162.09 41.65 Favored 'General case' 0 CA--C 1.575 1.905 0 CA-C-O 122.942 1.354 . . . . 0.0 112.974 -169.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.47 135.29 21.14 Favored 'General case' 0 CA--C 1.592 2.583 0 CA-C-N 109.6 -3.455 . . . . 0.0 111.072 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.1 m -164.67 138.33 5.04 Favored 'General case' 0 CA--C 1.585 2.31 0 C-N-CA 130.584 3.554 . . . . 0.0 107.27 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -139.42 105.48 2.4 Favored 'Isoleucine or valine' 0 C--O 1.269 2.085 1 N-CA-C 98.885 -4.487 . . . . 0.0 98.885 -162.779 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 167.94 118.61 0.45 Allowed Glycine 0 C--O 1.179 -3.325 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 166.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . 0.298 . . -60.83 115.41 3.66 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 125.293 1.437 . . . . 0.0 113.058 163.073 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -159.62 120.37 3.13 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 -175.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.466 46.0 pttt -45.41 -62.52 1.24 Allowed 'General case' 0 CA--C 1.587 2.394 1 N-CA-C 121.888 4.033 . . . . 0.0 121.888 176.066 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -65.38 -35.38 80.79 Favored 'General case' 0 N--CA 1.539 3.997 0 C-N-CA 126.775 2.03 . . . . 0.0 115.009 164.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -42.38 -69.21 0.62 Allowed Glycine 0 N--CA 1.496 2.637 0 N-CA-C 119.191 2.436 . . . . 0.0 119.191 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.482 HD21 ' HD1' ' A' ' 48' ' ' PHE 0.397 41.8 tp -44.53 -66.08 0.52 Allowed Pre-proline 0 CA--C 1.599 2.864 0 O-C-N 128.464 3.097 . . . . 0.0 111.45 172.297 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -43.21 -44.25 9.99 Favored 'Trans proline' 0 C--N 1.388 2.631 0 N-CA-C 120.465 3.217 . . . . 0.0 120.465 172.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.84 -57.76 10.71 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 124.991 1.432 . . . . 0.0 112.365 167.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.27 23.8 tp -47.2 -58.8 3.67 Favored 'General case' 0 CA--C 1.482 -1.641 0 C-N-CA 129.402 3.081 . . . . 0.0 116.57 177.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.46 -56.36 12.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.429 0 CA-C-O 115.215 -2.326 . . . . 0.0 112.918 167.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -39.45 -50.83 2.14 Favored 'General case' 0 N--CA 1.504 2.26 1 N-CA-C 123.524 4.638 . . . . 0.0 123.524 169.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -55.59 -57.26 12.67 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 167.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.483 59.9 m-70 -56.48 -57.78 10.85 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 120.685 3.587 . . . . 0.0 120.685 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.604 3.056 0 CA-C-O 115.358 -2.258 . . . . 0.0 115.673 168.369 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 . . . . . 0 CA--C 1.584 2.255 0 CA-C-O 122.19 0.995 . . . . 0.0 113.61 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.38 164.33 50.66 Favored Glycine 0 C--N 1.367 2.294 0 CA-C-N 113.184 -1.826 . . . . 0.0 114.386 159.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -150.17 125.39 10.06 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 104.497 -2.408 . . . . 0.0 104.497 -173.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.2 t -88.98 125.39 42.04 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.43 0 C-N-CA 130.027 3.331 . . . . 0.0 114.086 164.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.41 126.97 62.0 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.937 0 C-N-CA 128.449 2.7 . . . . 0.0 111.313 -175.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.55 134.04 50.54 Favored 'General case' 0 CA--C 1.57 1.714 0 C-N-CA 128.675 2.79 . . . . 0.0 117.674 168.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.489 ' SG ' HD13 ' A' ' 61' ' ' LEU . 87.1 m -135.77 134.63 39.19 Favored 'General case' 0 N--CA 1.516 2.874 0 N-CA-C 104.677 -2.342 . . . . 0.0 104.677 -157.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -150.28 -20.91 0.24 Allowed 'General case' 0 N--CA 1.52 3.065 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -158.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.5 p -149.62 -168.38 3.09 Favored 'General case' 0 CA--C 1.584 2.278 0 CA-C-O 124.715 2.197 . . . . 0.0 106.921 -159.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 5.6 p -52.08 -20.65 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.594 2.668 1 N-CA-C 121.815 4.006 . . . . 0.0 121.815 154.116 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.43 -47.08 69.96 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 172.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.463 0.6 OUTLIER -49.45 -45.45 46.64 Favored 'General case' 0 CA--C 1.595 2.686 0 N-CA-C 118.946 2.943 . . . . 0.0 118.946 159.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.439 ' HB2' ' O ' ' A' ' 12' ' ' VAL . 12.9 m95 -46.22 -49.48 17.07 Favored 'General case' 0 C--O 1.26 1.63 0 N-CA-C 116.773 2.138 . . . . 0.0 116.773 170.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -52.01 -64.36 0.84 Allowed 'General case' 0 N--CA 1.502 2.13 0 CA-C-N 114.347 -1.297 . . . . 0.0 113.776 159.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -49.84 -64.13 0.9 Allowed 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 128.375 2.67 . . . . 0.0 117.806 -177.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -50.43 -55.89 13.85 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 116.31 1.967 . . . . 0.0 116.31 173.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -58.77 -58.43 8.62 Favored 'General case' 0 CA--C 1.602 2.953 0 N-CA-C 119.441 3.126 . . . . 0.0 119.441 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -62.26 -61.46 2.44 Favored 'General case' 0 C--O 1.271 2.215 0 C-N-CA 127.306 2.242 . . . . 0.0 114.763 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.274 31.7 mmtp -48.38 -60.0 3.02 Favored 'General case' 1 N--CA 1.542 4.142 0 CA-C-N 122.541 2.428 . . . . 0.0 113.972 168.226 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -40.46 -81.83 0.02 OUTLIER Glycine 0 C--N 1.369 2.416 0 N-CA-C 121.258 3.263 . . . . 0.0 121.258 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -79.05 100.51 7.38 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 123.825 1.774 . . . . 0.0 112.826 154.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.29 -49.24 0.48 Allowed Glycine 0 N--CA 1.505 3.285 0 CA-C-N 110.248 -3.16 . . . . 0.0 114.487 159.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.4 m -92.85 132.02 37.37 Favored 'General case' 0 N--CA 1.512 2.645 0 N-CA-C 104.779 -2.304 . . . . 0.0 104.779 172.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -64.03 76.33 0.03 OUTLIER 'General case' 0 CA--C 1.576 1.948 1 CA-C-O 130.024 4.726 . . . . 0.0 113.774 172.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -154.22 156.5 37.21 Favored 'General case' 0 N--CA 1.534 3.754 0 O-C-N 117.977 -2.952 . . . . 0.0 114.551 -178.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.272 54.3 tp -83.28 147.68 27.82 Favored 'General case' 0 CA--C 1.601 2.914 0 CA-C-O 125.809 2.718 . . . . 0.0 110.746 164.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.599 HG22 ' HB ' ' A' ' 59' ' ' THR . 3.9 pt -146.91 133.29 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.747 0 O-C-N 117.879 -3.013 . . . . 0.0 104.998 -178.205 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.9 t -141.03 129.91 24.33 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.752 0 N-CA-C 103.589 -2.745 . . . . 0.0 103.589 -168.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.281 2.5 p -139.84 112.35 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.948 0 CA-C-O 126.604 3.097 . . . . 0.0 104.673 -160.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -70.53 130.48 41.96 Favored 'General case' 0 CA--C 1.614 3.44 0 O-C-N 118.591 -2.568 . . . . 0.0 114.051 153.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -114.47 111.96 22.24 Favored 'General case' 1 C--O 1.333 5.468 1 C-N-CA 135.342 5.457 . . . . 0.0 104.745 175.571 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -160.99 145.97 14.04 Favored 'General case' 0 N--CA 1.517 2.897 0 N-CA-C 101.547 -3.501 . . . . 0.0 101.547 -166.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.257 . . -80.03 158.92 26.38 Favored 'General case' 0 C--O 1.209 -1.063 1 CA-C-N 108.253 -4.067 . . . . 0.0 108.662 165.33 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.334 22.3 t -59.85 -43.01 94.88 Favored 'General case' 0 N--CA 1.518 2.93 0 O-C-N 117.513 -3.242 . . . . 0.0 116.28 166.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 24.8 p-90 -69.47 69.73 0.26 Allowed 'General case' 0 CA--C 1.567 1.623 0 N-CA-C 117.734 2.494 . . . . 0.0 117.734 162.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 54.0 t -156.63 82.46 3.35 Favored Pre-proline 0 CA--C 1.596 2.747 0 CA-C-N 112.88 -1.964 . . . . 0.0 110.664 -175.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -51.93 -41.2 64.83 Favored 'Trans proline' 0 CA--C 1.585 3.049 0 C-N-CA 125.007 3.805 . . . . 0.0 120.635 168.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -49.86 -44.56 36.16 Favored 'Trans proline' 0 CA--C 1.554 1.504 1 C-N-CA 126.128 4.552 . . . . 0.0 119.294 161.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.417 ' SG ' ' HG2' ' A' ' 81' ' ' PRO 0.328 56.5 m -77.24 -22.39 52.28 Favored 'General case' 0 C--O 1.189 -2.113 1 N-CA-C 122.031 4.086 . . . . 0.0 122.031 163.521 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.4 tttp -58.78 -43.31 90.41 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 123.492 2.86 . . . . 0.0 114.858 159.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.318 25.0 ptt? -61.95 -37.65 85.54 Favored 'General case' 0 C--N 1.387 2.225 1 N-CA-C 121.861 4.023 . . . . 0.0 121.861 153.084 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.406 1.0 OUTLIER -60.2 -31.75 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.325 0 N-CA-C 119.5 3.148 . . . . 0.0 119.5 169.145 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.41 ' HB3' ' HD3' ' A' ' 46' ' ' PRO 0.305 . . -49.15 -59.25 6.78 Favored Pre-proline 0 C--O 1.181 -2.515 0 O-C-N 125.774 1.922 . . . . 0.0 115.606 167.051 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HD3' ' HB3' ' A' ' 45' ' ' ALA . 52.3 Cg_exo -52.55 -40.01 73.54 Favored 'Trans proline' 0 N--CA 1.518 2.965 2 N-CA-C 124.163 4.64 . . . . 0.0 124.163 158.884 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.287 40.6 mm -52.04 -56.55 5.89 Favored 'Isoleucine or valine' 0 C--N 1.387 2.208 0 O-C-N 118.9 -2.375 . . . . 0.0 114.999 165.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -46.46 -44.2 17.27 Favored 'General case' 0 CA--C 1.572 1.811 0 C-N-CA 126.5 1.92 . . . . 0.0 115.879 168.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.65 -52.11 62.18 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 118.673 2.842 . . . . 0.0 118.673 165.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.349 36.5 tt0 -51.88 -60.31 3.33 Favored 'General case' 0 N--CA 1.526 3.329 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 168.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.43 HD22 ' HD2' ' A' ' 55' ' ' PHE . 1.4 tm? -49.2 -51.9 30.09 Favored 'General case' 0 CA--C 1.6 2.884 0 C-N-CA 126.215 1.806 . . . . 0.0 113.58 169.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.41 -48.65 37.01 Favored 'General case' 0 CA--C 1.566 1.559 0 CA-C-N 120.126 1.33 . . . . 0.0 113.361 172.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -53.66 -48.24 69.62 Favored 'General case' 0 CA--C 1.598 2.805 0 CA-C-O 116.148 -1.882 . . . . 0.0 113.664 169.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -56.47 -25.34 50.71 Favored 'General case' 0 N--CA 1.511 2.58 0 C-N-CA 129.174 2.99 . . . . 0.0 112.846 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.43 ' HD2' HD22 ' A' ' 51' ' ' LEU . 6.5 m-85 -136.7 100.38 10.06 Favored Pre-proline 1 CA--C 1.636 4.262 0 C-N-CA 129.521 3.128 . . . . 0.0 106.562 -161.086 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.286 26.1 Cg_endo -81.94 -27.97 2.27 Favored 'Trans proline' 0 CA--C 1.552 1.42 2 C-N-CA 131.32 8.013 . . . . 0.0 125.385 176.571 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.442 1.3 p-10 -61.89 3.64 0.15 Allowed 'General case' 1 N--CA 1.547 4.377 0 C-N-CA 127.527 2.331 . . . . 0.0 117.014 175.878 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.273 6.2 p -145.85 116.23 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 124.693 1.246 . . . . 0.0 109.497 -149.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.599 ' HB ' HG22 ' A' ' 29' ' ' ILE . 84.1 m -71.08 157.2 38.6 Favored 'General case' 0 CA--C 1.585 2.317 0 CA-C-O 125.807 2.717 . . . . 0.0 109.921 166.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -144.31 136.82 26.71 Favored 'General case' 0 N--CA 1.509 2.492 0 C-N-CA 127.958 2.503 . . . . 0.0 108.476 -176.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.489 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.259 0.9 OUTLIER -157.03 156.59 33.16 Favored 'General case' 0 CA--C 1.581 2.16 0 CA-C-N 111.706 -2.497 . . . . 0.0 109.726 -173.961 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.359 42.3 pttt -143.81 108.48 4.88 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 -160.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.56 125.24 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 128.143 2.577 . . . . 0.0 108.033 175.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -78.35 90.74 4.4 Favored 'General case' 0 C--O 1.257 1.45 0 CA-C-N 110.681 -2.963 . . . . 0.0 103.959 164.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -43.94 -42.17 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.6 2.902 0 N-CA-C 121.008 3.707 . . . . 0.0 121.008 168.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.68 -44.52 37.96 Favored 'General case' 1 CA--C 1.636 4.279 0 CA-C-O 122.547 1.165 . . . . 0.0 113.763 173.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.312 0.3 OUTLIER -62.15 -39.07 91.38 Favored 'General case' 0 CA--C 1.588 2.426 0 N-CA-C 118.204 2.668 . . . . 0.0 118.204 161.893 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.5 mt -143.03 56.83 1.4 Allowed 'General case' 1 CA--C 1.636 4.285 0 CA-C-O 125.91 2.767 . . . . 0.0 114.879 -159.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.37 33.1 pttt -68.94 -52.13 32.45 Favored 'General case' 0 C--O 1.189 -2.095 0 CA-C-N 110.044 -3.253 . . . . 0.0 116.244 172.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.277 . . -49.16 -66.72 0.35 Allowed 'General case' 0 N--CA 1.531 3.599 0 O-C-N 126.833 2.583 . . . . 0.0 117.754 175.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.45 HG22 ' NE1' ' A' ' 75' ' ' TRP . 9.9 p -60.54 -42.98 93.43 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.907 0 CA-C-O 112.553 -3.594 . . . . 0.0 118.846 163.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . 0.28 . . -40.17 -58.42 1.48 Allowed 'General case' 0 CA--C 1.577 2.001 0 CA-C-N 124.071 3.123 . . . . 0.0 114.447 162.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . 0.315 51.7 mt-10 -48.28 -52.64 20.43 Favored 'General case' 0 N--CA 1.529 3.479 0 O-C-N 127.347 2.904 . . . . 0.0 115.651 173.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.384 0.0 OUTLIER -45.47 -51.39 11.67 Favored 'General case' 0 CA--C 1.583 2.218 0 N-CA-C 120.519 3.526 . . . . 0.0 120.519 170.106 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.45 ' NE1' HG22 ' A' ' 71' ' ' VAL . 50.1 m95 -61.5 -45.75 92.89 Favored 'General case' 0 N--CA 1.531 3.588 1 O-C-N 114.481 -5.137 . . . . 0.0 112.334 168.649 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.404 10.5 t30 151.29 81.72 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.529 1 O-C-N 129.651 4.345 . . . . 0.0 104.529 148.397 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 t -143.47 74.47 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.536 3.863 0 O-C-N 118.46 -2.65 . . . . 0.0 110.299 -173.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.405 1.9 pp20? -68.47 -1.29 6.26 Favored 'General case' 0 N--CA 1.522 3.127 0 N-CA-C 120.924 3.676 . . . . 0.0 120.924 138.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.19 123.74 7.82 Favored 'General case' 0 C--N 1.41 3.209 0 O-C-N 116.307 -3.996 . . . . 0.0 113.959 -164.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.43 ' SD ' ' N ' ' A' ' 80' ' ' MET 0.368 0.0 OUTLIER -65.81 114.97 18.46 Favored Pre-proline 0 N--CA 1.528 3.434 0 CA-C-N 111.26 -2.7 . . . . 0.0 106.52 159.981 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.417 ' HG2' ' SG ' ' A' ' 41' ' ' CYS . 80.8 Cg_endo -159.0 147.13 0.0 OUTLIER 'Cis proline' 1 C--N 1.425 4.594 0 CA-C-O 129.522 3.884 . . . . 0.0 117.917 -1.229 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.2 m -120.92 128.45 52.78 Favored 'General case' 0 CA--C 1.587 2.386 1 CA-C-N 106.859 -4.7 . . . . 0.0 107.982 -144.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -120.88 117.11 26.52 Favored 'General case' 0 C--O 1.286 3.011 2 O-C-N 134.18 7.175 . . . . 0.0 105.572 -177.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.3 mt -129.71 141.44 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.356 0 CA-C-O 126.704 3.145 . . . . 0.0 104.997 -163.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -131.67 112.83 12.9 Favored 'General case' 0 C--O 1.262 1.713 1 CA-C-N 107.134 -4.575 . . . . 0.0 103.045 -154.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.3 125.98 15.11 Favored 'General case' 0 C--N 1.414 3.405 0 CA-C-N 110.089 -3.232 . . . . 0.0 103.088 -166.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -130.42 178.15 6.82 Favored 'General case' 0 CA--C 1.592 2.573 0 CA-C-N 110.189 -3.187 . . . . 0.0 106.878 -169.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.361 4.1 p-10 -60.53 56.3 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.794 0 O-C-N 126.762 2.538 . . . . 0.0 115.536 164.131 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 170.11 45.06 0.03 OUTLIER Glycine 0 CA--C 1.577 3.951 0 CA-C-O 123.111 1.395 . . . . 0.0 116.494 169.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.465 ' HG3' ' H ' ' A' ' 91' ' ' LEU 0.471 0.1 OUTLIER 68.86 -167.79 0.18 Allowed 'General case' 0 N--CA 1.53 3.532 0 C-N-CA 127.932 2.493 . . . . 0.0 114.131 -173.372 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.465 ' H ' ' HG3' ' A' ' 90' ' ' LYS 0.328 12.2 tp -51.43 107.24 0.17 Allowed 'General case' 0 N--CA 1.5 2.033 0 C-N-CA 128.682 2.793 . . . . 0.0 112.055 171.427 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.251 27.4 m -84.88 -38.64 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.954 0 C-N-CA 128.306 2.642 . . . . 0.0 115.023 167.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.96 163.92 16.06 Favored 'General case' 0 N--CA 1.505 2.317 0 CA-C-N 123.525 2.875 . . . . 0.0 115.269 -174.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -155.94 131.64 9.72 Favored 'General case' 0 N--CA 1.421 -1.907 0 C-N-CA 127.288 2.235 . . . . 0.0 110.525 -176.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . 0.303 33.4 m -140.79 149.86 42.6 Favored 'General case' 0 N--CA 1.418 -2.048 1 N-CA-C 99.538 -4.245 . . . . 0.0 99.538 -170.569 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 p -150.21 97.76 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.263 1.772 0 CA-C-N 112.907 -1.951 . . . . 0.0 106.063 -176.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -171.22 -168.1 32.42 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 105.628 -2.989 . . . . 0.0 105.628 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -161.97 105.7 1.2 Allowed 'General case' 0 N--CA 1.528 3.427 0 N-CA-C 104.718 -2.327 . . . . 0.0 104.718 -174.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -151.49 125.61 9.26 Favored 'General case' 0 CA--C 1.576 1.966 0 CA-C-N 113.646 -1.616 . . . . 0.0 108.03 -171.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.478 51.8 pttt -49.16 -60.36 2.86 Favored 'General case' 0 N--CA 1.491 1.592 1 N-CA-C 124.301 4.926 . . . . 0.0 124.301 167.664 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.89 -39.68 61.36 Favored 'General case' 0 N--CA 1.526 3.34 0 C-N-CA 127.351 2.261 . . . . 0.0 115.318 167.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -44.7 -60.08 3.98 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 121.341 3.296 . . . . 0.0 121.341 173.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.6 tp -53.72 -60.36 7.38 Favored Pre-proline 0 CA--C 1.593 2.632 0 CA-C-O 115.521 -2.181 . . . . 0.0 115.299 172.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -43.14 -37.08 6.4 Favored 'Trans proline' 1 CA--C 1.642 5.916 0 C-N-CA 124.818 3.678 . . . . 0.0 121.431 159.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 92.5 m -64.86 -58.86 5.05 Favored 'General case' 0 N--CA 1.506 2.365 0 CA-C-O 114.605 -2.617 . . . . 0.0 110.035 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.2 tp -49.41 -50.08 42.08 Favored 'General case' 0 CA--C 1.585 2.289 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 169.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.297 93.2 t -63.27 -40.3 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.01 0 C-N-CA 125.739 1.615 . . . . 0.0 111.841 177.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.24 77.94 Favored 'General case' 0 C--N 1.387 2.199 0 O-C-N 118.469 -2.644 . . . . 0.0 113.702 165.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -59.88 -41.31 91.29 Favored 'General case' 0 CA--C 1.609 3.223 0 N-CA-C 117.357 2.355 . . . . 0.0 117.357 167.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -62.38 -62.72 1.56 Allowed 'General case' 0 N--CA 1.507 2.421 0 N-CA-C 117.528 2.418 . . . . 0.0 117.528 164.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.531 3.581 0 C-N-CA 128.476 2.711 . . . . 0.0 116.678 -177.852 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.25 16.3 pt-20 . . . . . 0 C--O 1.267 1.99 0 CA-C-O 123.008 1.385 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.17 172.21 50.16 Favored Glycine 0 CA--C 1.569 3.412 0 O-C-N 120.534 -1.354 . . . . 0.0 115.096 162.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -160.43 135.14 7.58 Favored 'General case' 0 CA--C 1.569 1.698 0 CA-C-N 119.66 1.73 . . . . 0.0 107.853 -169.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.0 t -90.96 121.88 41.79 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.123 0 N-CA-C 102.364 -3.199 . . . . 0.0 102.364 176.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.296 0.3 OUTLIER -115.61 125.1 72.68 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.732 0 N-CA-C 102.171 -3.27 . . . . 0.0 102.171 -176.879 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.77 136.67 57.61 Favored 'General case' 0 N--CA 1.516 2.862 0 CA-C-N 109.989 -3.278 . . . . 0.0 115.007 165.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.5 m -144.06 142.04 30.42 Favored 'General case' 0 CA--C 1.597 2.777 0 C-N-CA 128.146 2.578 . . . . 0.0 112.488 -171.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -151.87 -16.27 0.19 Allowed 'General case' 0 CA--C 1.598 2.821 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 -169.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.72 -171.28 3.77 Favored 'General case' 0 N--CA 1.532 3.635 0 O-C-N 118.981 -2.324 . . . . 0.0 111.468 -160.264 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.33 9.8 p -53.26 -33.47 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.658 0 CA-C-N 114.03 -1.441 . . . . 0.0 112.992 164.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -44.17 -56.59 3.97 Favored 'General case' 0 CA--C 1.575 1.915 0 O-C-N 118.64 -2.537 . . . . 0.0 114.907 170.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.05 -39.88 9.86 Favored 'General case' 2 N--CA 1.559 5.01 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 162.021 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -52.71 -43.71 65.85 Favored 'General case' 0 N--CA 1.533 3.689 0 CA-C-O 118.031 -0.985 . . . . 0.0 113.567 168.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -62.11 -53.45 55.19 Favored 'General case' 0 CA--C 1.583 2.224 0 N-CA-C 117.722 2.489 . . . . 0.0 117.722 162.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.311 38.0 mt-10 -51.62 -62.66 1.49 Allowed 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 128.082 2.553 . . . . 0.0 115.67 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -52.42 -61.65 2.14 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 117.295 2.332 . . . . 0.0 117.295 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -52.61 -61.96 1.95 Allowed 'General case' 0 CA--C 1.61 3.282 0 N-CA-C 117.463 2.394 . . . . 0.0 117.463 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.325 3.7 mm-40 -62.98 -46.58 87.0 Favored 'General case' 0 CA--C 1.579 2.092 0 N-CA-C 116.388 1.995 . . . . 0.0 116.388 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.288 5.5 mmtp -50.31 -66.57 0.37 Allowed 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 115.036 -2.411 . . . . 0.0 115.063 168.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.93 -94.84 0.01 OUTLIER Glycine 0 CA--C 1.555 2.558 0 N-CA-C 119.237 2.455 . . . . 0.0 119.237 165.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.387 2.3 ttmm -62.36 88.7 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 O-C-N 119.561 -2.141 . . . . 0.0 114.04 158.264 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.77 -49.77 0.34 Allowed Glycine 0 CA--C 1.554 2.525 0 CA-C-O 126.456 3.253 . . . . 0.0 111.369 163.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.6 m -92.75 123.31 35.94 Favored 'General case' 0 CA--C 1.566 1.582 0 C-N-CA 128.996 2.919 . . . . 0.0 105.742 -176.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -60.54 82.23 0.01 OUTLIER 'General case' 0 N--CA 1.531 3.617 0 CA-C-O 125.259 2.457 . . . . 0.0 108.249 170.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -169.96 163.36 9.46 Favored 'General case' 0 CA--C 1.583 2.23 0 CA-C-N 112.36 -2.2 . . . . 0.0 111.078 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.7 tp -84.4 155.0 22.49 Favored 'General case' 0 CA--C 1.6 2.892 0 C-N-CA 128.81 2.844 . . . . 0.0 107.433 166.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.436 HG22 ' HB ' ' A' ' 59' ' ' THR . 1.3 pt -146.61 139.57 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.363 1 N-CA-C 98.639 -4.578 . . . . 0.0 98.639 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.3 t -146.2 125.08 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 CA-C-N 112.672 -2.058 . . . . 0.0 108.308 -169.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.61 113.32 3.69 Favored 'Isoleucine or valine' 0 C--N 1.365 1.242 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.489 -154.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -70.12 149.17 47.87 Favored 'General case' 0 CA--C 1.556 1.181 1 CA-C-O 128.95 4.214 . . . . 0.0 116.004 160.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -137.06 107.89 6.64 Favored 'General case' 0 CA--C 1.584 2.288 1 N-CA-C 97.519 -4.993 . . . . 0.0 97.519 -175.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 t -156.03 146.72 21.95 Favored 'General case' 0 CA--C 1.594 2.659 0 N-CA-C 103.547 -2.76 . . . . 0.0 103.547 -169.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.84 130.37 34.9 Favored 'General case' 0 C--O 1.277 2.546 0 CA-C-N 110.195 -3.184 . . . . 0.0 108.196 169.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 t -43.55 -46.65 7.13 Favored 'General case' 1 CA--C 1.64 4.44 0 O-C-N 128.152 3.407 . . . . 0.0 117.64 172.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.9 p-90 -61.39 75.43 0.01 OUTLIER 'General case' 0 N--CA 1.534 3.76 0 O-C-N 120.534 -1.354 . . . . 0.0 113.67 161.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 42.1 t -163.95 84.44 1.28 Allowed Pre-proline 0 N--CA 1.514 2.754 0 O-C-N 120.578 -1.326 . . . . 0.0 109.469 -176.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.38 27.2 Cg_exo -50.07 -46.53 27.81 Favored 'Trans proline' 0 CA--C 1.59 3.287 0 C-N-CA 124.785 3.657 . . . . 0.0 118.388 169.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -46.28 -53.0 6.44 Favored 'Trans proline' 0 N--CA 1.496 1.628 1 C-N-CA 126.706 4.937 . . . . 0.0 116.687 167.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 51.8 m -66.21 -22.48 66.34 Favored 'General case' 0 C--O 1.282 2.802 0 N-CA-C 117.88 2.548 . . . . 0.0 117.88 165.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.339 42.8 tttp -60.57 -40.21 90.87 Favored 'General case' 0 N--CA 1.529 3.511 0 CA-C-O 125.203 2.43 . . . . 0.0 111.489 166.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.488 13.5 ptt? -66.74 -53.6 31.64 Favored 'General case' 0 CA--C 1.614 3.441 1 O-C-N 115.871 -4.268 . . . . 0.0 116.94 159.98 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.362 1.0 OUTLIER -47.98 -33.26 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.764 0 N-CA-C 120.094 3.368 . . . . 0.0 120.094 172.406 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.33 -49.87 91.17 Favored Pre-proline 0 CA--C 1.587 2.397 0 CA-C-O 113.986 -2.911 . . . . 0.0 118.166 167.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -50.26 -42.9 45.82 Favored 'Trans proline' 0 CA--C 1.601 3.859 0 N-CA-C 121.543 3.632 . . . . 0.0 121.543 155.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.372 35.7 mm -56.1 -49.91 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.29 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 171.059 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.34 65.9 t80 -54.35 -41.75 69.46 Favored 'General case' 0 CA--C 1.614 3.422 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 165.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.02 -47.89 75.86 Favored 'General case' 0 N--CA 1.515 2.807 0 N-CA-C 118.777 2.88 . . . . 0.0 118.777 168.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.31 -54.16 48.72 Favored 'General case' 0 N--CA 1.53 3.531 0 N-CA-C 116.34 1.978 . . . . 0.0 116.34 161.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.301 1.7 tm? -46.43 -47.79 18.94 Favored 'General case' 1 CA--C 1.63 4.057 0 N-CA-C 118.091 2.626 . . . . 0.0 118.091 163.277 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.28 -49.78 32.4 Favored 'General case' 0 N--CA 1.508 2.46 0 CA-C-N 119.89 1.223 . . . . 0.0 114.229 167.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -56.35 -46.31 80.05 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 172.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -54.43 -36.12 63.69 Favored 'General case' 0 N--CA 1.517 2.915 0 C-N-CA 127.125 2.17 . . . . 0.0 114.862 171.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -134.69 101.36 11.84 Favored Pre-proline 0 N--CA 1.499 2.006 0 O-C-N 126.179 2.175 . . . . 0.0 110.09 -156.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -82.43 -20.85 5.63 Favored 'Trans proline' 0 CA--C 1.6 3.777 1 C-N-CA 126.263 4.642 . . . . 0.0 117.846 172.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -57.49 0.03 0.06 Allowed 'General case' 1 C--O 1.316 4.567 1 O-C-N 115.601 -4.437 . . . . 0.0 118.721 173.674 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 p -149.51 119.92 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.95 0 O-C-N 127.537 3.023 . . . . 0.0 110.742 -154.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.436 ' HB ' HG22 ' A' ' 29' ' ' ILE . 42.7 m -75.37 158.3 32.96 Favored 'General case' 0 N--CA 1.501 2.075 0 C-N-CA 128.347 2.659 . . . . 0.0 109.807 167.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -149.15 136.97 20.5 Favored 'General case' 0 C--N 1.389 2.305 0 CA-C-O 125.647 2.642 . . . . 0.0 106.933 -169.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.282 0.6 OUTLIER -153.38 154.98 35.54 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 109.655 -3.429 . . . . 0.0 111.857 -175.836 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -144.91 116.58 8.16 Favored 'General case' 0 CA--C 1.598 2.826 0 CA-C-O 127.364 3.459 . . . . 0.0 105.724 -171.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.3 t -82.46 125.19 39.86 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.833 0 CA-C-N 110.666 -2.97 . . . . 0.0 111.603 170.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.41 104.0 0.46 Allowed 'General case' 0 CA--C 1.59 2.496 0 O-C-N 125.609 1.818 . . . . 0.0 112.6 152.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.08 -47.56 66.05 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.096 0 N-CA-C 118.279 2.696 . . . . 0.0 118.279 173.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.275 23.8 m-20 -38.88 -53.38 1.72 Allowed 'General case' 1 N--CA 1.569 5.52 0 O-C-N 119.252 -2.155 . . . . 0.0 112.104 171.812 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.8 -32.61 74.24 Favored 'General case' 0 CA--C 1.607 3.164 0 C-N-CA 129.935 3.294 . . . . 0.0 112.759 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.8 mt -148.69 57.21 1.04 Allowed 'General case' 0 N--CA 1.496 1.83 2 O-C-N 115.723 -4.361 . . . . 0.0 109.802 -169.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -72.53 -45.22 60.34 Favored 'General case' 0 C--O 1.265 1.869 0 C-N-CA 130.749 3.619 . . . . 0.0 118.14 174.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.02 -52.13 66.5 Favored 'General case' 1 N--CA 1.544 4.269 0 C-N-CA 127.065 2.146 . . . . 0.0 114.019 172.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.271 7.1 p -61.12 -50.08 82.0 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.444 0 N-CA-C 121.217 3.784 . . . . 0.0 121.217 170.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.02 -51.4 24.21 Favored 'General case' 0 CA--C 1.586 2.328 0 CA-C-O 124.601 2.143 . . . . 0.0 116.135 167.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -55.22 -50.73 68.67 Favored 'General case' 0 C--N 1.389 2.297 0 CA-C-O 114.17 -2.824 . . . . 0.0 110.313 167.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.617 3.0 pt-20 -41.67 -55.52 2.93 Favored 'General case' 0 N--CA 1.532 3.628 0 N-CA-C 121.776 3.991 . . . . 0.0 121.776 167.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -57.1 -47.85 80.07 Favored 'General case' 0 N--CA 1.522 3.135 0 N-CA-C 117.648 2.462 . . . . 0.0 117.648 166.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.298 13.1 t30 149.69 83.98 0.0 OUTLIER 'General case' 0 N--CA 1.428 -1.534 0 CA-C-O 127.089 3.328 . . . . 0.0 104.751 148.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.4 t -147.59 91.76 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.597 2.763 0 O-C-N 116.549 -3.844 . . . . 0.0 105.247 -168.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.12 13.6 28.66 Favored 'General case' 0 C--O 1.27 2.156 0 O-C-N 118.814 -2.429 . . . . 0.0 114.493 157.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -153.64 134.64 13.93 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-O 127.282 3.42 . . . . 0.0 111.821 -168.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.39 117.4 68.04 Favored Pre-proline 0 N--CA 1.514 2.733 1 CA-C-N 108.15 -4.114 . . . . 0.0 106.739 160.798 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.544 55.2 Cg_endo -148.77 154.71 0.0 OUTLIER 'Cis proline' 0 N--CA 1.532 3.79 1 C-N-CA 115.934 -4.611 . . . . 0.0 116.036 -8.749 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.4 m -125.27 116.07 21.36 Favored 'General case' 0 CA--C 1.548 0.867 1 CA-C-N 106.992 -4.64 . . . . 0.0 109.425 -147.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -88.02 130.96 34.82 Favored 'General case' 0 C--N 1.29 -2.004 0 CA-C-N 110.376 -3.102 . . . . 0.0 114.614 160.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 mt -125.79 139.71 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.399 0 N-CA-C 100.328 -3.953 . . . . 0.0 100.328 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -135.79 118.68 16.25 Favored 'General case' 0 CA--C 1.589 2.455 0 CA-C-N 111.108 -2.769 . . . . 0.0 107.199 -164.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.25 1.1 tm? -148.26 127.38 12.88 Favored 'General case' 0 C--N 1.392 2.454 1 N-CA-C 99.166 -4.383 . . . . 0.0 99.166 -164.899 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.294 24.2 tttt -109.16 172.86 6.6 Favored 'General case' 1 N--CA 1.555 4.806 0 C-N-CA 129.839 3.256 . . . . 0.0 112.432 173.777 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -52.68 16.54 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.305 1 N-CA-C 124.691 5.071 . . . . 0.0 124.691 156.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -149.77 43.99 0.73 Allowed Glycine 0 CA--C 1.542 1.769 0 C-N-CA 128.732 3.063 . . . . 0.0 112.378 -177.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.27 -171.75 0.17 Allowed 'General case' 0 CA--C 1.608 3.211 0 C-N-CA 130.497 3.519 . . . . 0.0 111.946 -177.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 tp -56.42 105.78 0.23 Allowed 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 127.834 2.454 . . . . 0.0 116.095 170.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.288 20.7 m -71.57 -55.61 13.11 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.969 0 CA-C-N 111.37 -2.65 . . . . 0.0 112.453 171.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.62 164.48 38.12 Favored 'General case' 0 C--N 1.419 3.628 0 CA-C-O 123.258 1.504 . . . . 0.0 112.225 -164.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.3 130.18 11.72 Favored 'General case' 0 CA--C 1.594 2.668 0 C-N-CA 127.281 2.232 . . . . 0.0 109.609 -175.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 37.9 m -159.91 151.62 20.12 Favored 'General case' 0 CA--C 1.598 2.811 0 C-N-CA 126.449 1.899 . . . . 0.0 107.119 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.273 1.3 p -140.73 95.44 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 N-CA-C 102.74 -3.059 . . . . 0.0 102.74 -159.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -175.23 -175.7 42.89 Favored Glycine 0 N--CA 1.508 3.464 0 CA-C-O 125.849 2.916 . . . . 0.0 109.399 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.63 120.93 12.3 Favored 'General case' 0 CA--C 1.591 2.533 0 CA-C-N 110.534 -2.833 . . . . 0.0 111.0 -176.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -173.34 130.41 0.46 Allowed 'General case' 0 CA--C 1.569 1.678 0 C-N-CA 125.367 1.467 . . . . 0.0 112.108 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.295 56.7 pttt -42.82 -56.94 2.99 Favored 'General case' 1 CA--C 1.635 4.228 0 O-C-N 126.328 2.267 . . . . 0.0 114.922 173.244 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -79.62 -40.92 28.14 Favored 'General case' 0 CA--C 1.595 2.687 1 C-N-CA 134.698 5.199 . . . . 0.0 117.667 175.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -45.71 -59.52 4.83 Favored Glycine 1 CA--C 1.594 5.024 0 O-C-N 128.505 3.628 . . . . 0.0 114.153 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.26 22.1 tp -54.21 -47.42 97.41 Favored Pre-proline 0 N--CA 1.526 3.358 0 CA-C-O 113.209 -3.281 . . . . 0.0 117.392 171.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -50.09 -39.73 50.87 Favored 'Trans proline' 0 CA--C 1.579 2.754 0 N-CA-C 122.389 3.957 . . . . 0.0 122.389 159.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.357 35.5 m -64.32 -61.53 2.18 Favored 'General case' 0 CA--C 1.569 1.687 0 C-N-CA 130.32 3.448 . . . . 0.0 111.952 175.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 20.5 tp -49.91 -48.59 51.58 Favored 'General case' 0 CA--C 1.59 2.512 0 N-CA-C 120.886 3.661 . . . . 0.0 120.886 169.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.267 97.9 t -64.99 -50.16 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.592 0 C-N-CA 127.899 2.48 . . . . 0.0 113.591 169.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.66 -63.79 0.61 Allowed 'General case' 0 N--CA 1.508 2.431 0 CA-C-N 123.002 2.637 . . . . 0.0 115.851 166.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -42.17 -49.6 4.87 Favored 'General case' 0 N--CA 1.535 3.78 0 N-CA-C 118.746 2.869 . . . . 0.0 118.746 169.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -63.91 -68.29 0.36 Allowed 'General case' 0 C--N 1.399 2.747 0 C-N-CA 126.362 1.865 . . . . 0.0 111.025 170.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.198 -1.609 1 N-CA-C 125.254 5.279 . . . . 0.0 125.254 176.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 C--O 1.186 -2.281 0 CA-C-O 126.596 3.093 . . . . 0.0 108.894 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.3 155.71 53.14 Favored Glycine 0 N--CA 1.488 2.102 0 CA-C-N 108.433 -3.985 . . . . 0.0 110.769 167.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -151.23 134.53 16.09 Favored 'General case' 0 CA--C 1.582 2.188 0 CA-C-N 112.089 -2.055 . . . . 0.0 106.826 -170.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 t -108.12 115.06 48.17 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.435 0 C-N-CA 128.879 2.872 . . . . 0.0 103.975 175.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.329 0.2 OUTLIER -117.89 119.23 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 C-N-CA 131.47 3.908 . . . . 0.0 106.388 -173.577 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.16 130.2 37.51 Favored 'General case' 0 CA--C 1.556 1.188 0 N-CA-C 118.317 2.71 . . . . 0.0 118.317 166.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.2 m -144.36 139.34 28.41 Favored 'General case' 0 N--CA 1.514 2.748 0 O-C-N 119.457 -2.027 . . . . 0.0 112.566 -162.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -148.11 -22.65 0.35 Allowed 'General case' 0 CA--C 1.605 3.067 0 CA-C-N 113.854 -1.521 . . . . 0.0 112.637 -159.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.5 p -150.46 174.02 13.39 Favored 'General case' 0 N--CA 1.521 3.079 0 O-C-N 117.953 -2.967 . . . . 0.0 106.941 -152.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.352 10.4 p -49.34 -19.11 0.5 Allowed 'Isoleucine or valine' 1 CA--C 1.638 4.331 0 N-CA-C 117.686 2.476 . . . . 0.0 117.686 167.621 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -57.34 -44.26 84.12 Favored 'General case' 0 C--N 1.368 1.376 0 CA-C-O 114.396 -2.716 . . . . 0.0 111.866 166.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.402 0.6 OUTLIER -53.24 -41.56 65.57 Favored 'General case' 0 CA--C 1.611 3.297 0 CA-C-N 123.326 2.785 . . . . 0.0 117.497 161.551 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -54.39 -36.52 64.02 Favored 'General case' 0 CA--C 1.581 2.162 0 O-C-N 126.891 2.619 . . . . 0.0 115.818 166.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.251 48.9 mtmt -56.63 -62.47 1.71 Allowed 'General case' 0 C--O 1.269 2.123 0 CA-C-N 120.164 1.347 . . . . 0.0 113.716 162.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -48.2 -61.8 1.8 Allowed 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 119.259 3.059 . . . . 0.0 119.259 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -55.26 -59.86 4.19 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 125.761 1.624 . . . . 0.0 113.547 175.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.317 56.4 t80 -56.69 -55.04 39.11 Favored 'General case' 0 CA--C 1.582 2.207 0 CA-C-O 114.115 -2.85 . . . . 0.0 117.402 175.012 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.315 3.9 mm-40 -48.93 -57.65 6.12 Favored 'General case' 0 N--CA 1.513 2.682 0 N-CA-C 118.501 2.778 . . . . 0.0 118.501 167.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -56.09 -58.94 5.8 Favored 'General case' 0 CA--C 1.577 2.006 0 CA-C-N 121.892 2.133 . . . . 0.0 113.695 172.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.49 -82.19 0.04 OUTLIER Glycine 0 C--O 1.196 -2.241 0 C-N-CA 126.256 1.884 . . . . 0.0 115.883 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -90.17 89.05 7.49 Favored 'General case' 0 CA--C 1.605 3.074 0 C-N-CA 131.048 3.739 . . . . 0.0 109.166 165.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.41 -30.51 0.18 Allowed Glycine 1 CA--C 1.612 6.142 0 CA-C-N 111.559 -2.564 . . . . 0.0 111.023 166.186 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.33 70.0 m -120.62 131.49 54.64 Favored 'General case' 0 CA--C 1.589 2.452 0 C-N-CA 129.66 3.184 . . . . 0.0 107.596 -173.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.49 77.01 0.02 OUTLIER 'General case' 0 CA--C 1.597 2.763 0 CA-C-O 123.387 1.565 . . . . 0.0 111.915 166.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -160.65 161.96 32.56 Favored 'General case' 0 CA--C 1.607 3.138 0 CA-C-N 112.873 -1.967 . . . . 0.0 108.976 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.263 23.6 tp -87.81 149.11 24.36 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 110.766 -2.925 . . . . 0.0 115.212 162.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.331 0.6 OUTLIER -142.71 120.54 7.21 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.639 0 C-N-CA 131.243 3.817 . . . . 0.0 108.372 -177.235 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.1 t -128.02 120.36 53.5 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.153 0 CA-C-O 126.859 3.218 . . . . 0.0 105.636 -169.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.9 p -143.2 109.98 1.61 Allowed 'Isoleucine or valine' 1 CA--C 1.658 5.104 0 CA-C-N 111.214 -2.721 . . . . 0.0 109.133 -156.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -71.65 144.52 49.37 Favored 'General case' 0 CA--C 1.593 2.62 0 CA-C-N 112.217 -2.265 . . . . 0.0 114.827 168.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -137.14 100.29 4.23 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 102.404 -3.184 . . . . 0.0 102.404 -175.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.4 t -145.0 148.35 33.66 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 100.887 -3.746 . . . . 0.0 100.887 -165.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.338 . . -76.52 123.28 25.82 Favored 'General case' 0 CA--C 1.625 3.86 0 CA-C-N 112.121 -2.309 . . . . 0.0 108.714 153.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 t -34.87 -52.63 0.54 Allowed 'General case' 0 C--O 1.278 2.595 0 N-CA-C 119.311 3.078 . . . . 0.0 119.311 173.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.7 p-90 -56.43 88.53 0.01 OUTLIER 'General case' 1 N--CA 1.542 4.126 0 C-N-CA 129.035 2.934 . . . . 0.0 115.197 160.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.4 t -165.5 105.49 0.75 Allowed Pre-proline 0 N--CA 1.514 2.729 0 CA-C-O 116.039 -1.934 . . . . 0.0 106.32 -177.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.268 23.2 Cg_exo -57.36 -41.07 76.65 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 125.207 3.938 . . . . 0.0 117.815 161.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.407 33.8 Cg_exo -49.9 -54.65 5.11 Favored 'Trans proline' 0 C--N 1.412 3.882 1 C-N-CA 127.056 5.171 . . . . 0.0 116.312 164.922 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.354 59.1 m -68.22 -16.52 64.01 Favored 'General case' 0 CA--C 1.563 1.473 0 N-CA-C 117.31 2.337 . . . . 0.0 117.31 165.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.394 33.6 tttp -58.57 -60.22 4.15 Favored 'General case' 0 N--CA 1.529 3.508 0 CA-C-N 122.493 2.406 . . . . 0.0 114.078 158.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.315 12.2 ptt? -47.73 -52.71 17.49 Favored 'General case' 0 C--N 1.406 3.047 1 O-C-N 115.909 -4.244 . . . . 0.0 119.02 163.431 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.417 0.8 OUTLIER -48.1 -31.61 3.08 Favored 'Isoleucine or valine' 1 N--CA 1.555 4.806 0 N-CA-C 117.313 2.338 . . . . 0.0 117.313 164.717 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.396 . . -53.3 -67.34 0.6 Allowed Pre-proline 0 CA--C 1.615 3.466 0 CA-C-N 122.934 2.606 . . . . 0.0 114.042 173.108 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -50.88 -42.48 51.57 Favored 'Trans proline' 1 CA--C 1.634 5.509 0 CA-C-O 113.423 -2.824 . . . . 0.0 118.644 160.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.405 28.3 mm -51.51 -53.15 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 CA-C-N 122.089 2.222 . . . . 0.0 114.332 171.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -33.86 68.98 Favored 'General case' 0 N--CA 1.524 3.235 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 170.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.306 . . -76.31 -36.15 58.45 Favored 'General case' 0 N--CA 1.418 -2.033 1 N-CA-C 123.094 4.479 . . . . 0.0 123.094 169.023 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.79 -63.02 1.44 Allowed 'General case' 0 CA--C 1.578 2.044 0 C-N-CA 126.444 1.898 . . . . 0.0 110.179 162.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.6 -48.43 14.56 Favored 'General case' 0 CA--C 1.596 2.725 0 C-N-CA 128.199 2.6 . . . . 0.0 111.497 172.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.08 -46.98 72.18 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 119.163 3.023 . . . . 0.0 119.163 168.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -56.85 -35.02 68.38 Favored 'General case' 0 N--CA 1.515 2.777 0 O-C-N 125.919 2.012 . . . . 0.0 115.778 167.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.271 29.9 ttmt -63.1 -29.95 71.21 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 119.878 3.288 . . . . 0.0 119.878 171.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -131.17 96.8 21.09 Favored Pre-proline 0 CA--C 1.574 1.871 0 C-N-CA 129.537 3.135 . . . . 0.0 114.877 -158.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.353 12.8 Cg_endo -67.67 -39.23 12.27 Favored 'Trans proline' 0 CA--C 1.599 3.761 2 C-N-CA 130.494 7.463 . . . . 0.0 126.03 174.231 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.415 10.6 p30 -62.66 -6.01 3.19 Favored 'General case' 0 CA--C 1.609 3.235 0 C-N-CA 129.352 3.061 . . . . 0.0 118.104 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.254 2.5 p -144.49 112.15 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.617 3.536 0 N-CA-C 101.998 -3.334 . . . . 0.0 101.998 -153.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.5 m -72.59 148.92 44.43 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 113.014 -1.903 . . . . 0.0 115.065 158.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -140.26 137.58 34.35 Favored 'General case' 0 CA--C 1.6 2.867 0 CA-C-O 127.709 3.623 . . . . 0.0 108.731 -171.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.341 0.7 OUTLIER -154.8 156.7 36.73 Favored 'General case' 0 CA--C 1.565 1.555 0 CA-C-N 110.94 -2.845 . . . . 0.0 110.583 -174.161 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -147.47 105.7 3.76 Favored 'General case' 0 CA--C 1.607 3.139 0 CA-C-O 128.393 3.949 . . . . 0.0 105.887 -161.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.2 t -91.69 119.05 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.561 0 CA-C-N 111.138 -2.756 . . . . 0.0 108.432 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -62.12 103.73 0.4 Allowed 'General case' 0 CA--C 1.557 1.212 0 CA-C-O 126.855 3.217 . . . . 0.0 113.087 152.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 p -52.62 -42.31 40.18 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.283 0 N-CA-C 119.579 3.177 . . . . 0.0 119.579 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.346 8.6 m-20 -39.91 -49.87 2.45 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 117.411 2.375 . . . . 0.0 117.411 174.111 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -73.88 -14.78 61.13 Favored 'General case' 0 CA--C 1.591 2.528 0 N-CA-C 119.384 3.105 . . . . 0.0 119.384 167.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.7 mt -154.64 50.39 0.61 Allowed 'General case' 0 CA--C 1.581 2.165 0 CA-C-O 125.46 2.552 . . . . 0.0 116.57 -166.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.348 56.9 pttt -73.55 -39.05 65.01 Favored 'General case' 0 C--N 1.296 -1.732 1 C-N-CA 131.886 4.074 . . . . 0.0 114.927 174.483 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.48 -54.43 45.89 Favored 'General case' 0 CA--C 1.568 1.654 0 O-C-N 120.654 -1.279 . . . . 0.0 112.809 174.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.298 11.1 p -58.32 -53.42 46.46 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.238 0 C-N-CA 127.271 2.228 . . . . 0.0 115.895 169.287 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.47 -54.27 7.68 Favored 'General case' 0 C--N 1.403 2.928 0 N-CA-C 120.428 3.492 . . . . 0.0 120.428 168.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -58.05 -47.92 81.66 Favored 'General case' 0 CA--C 1.597 2.762 1 CA-C-O 111.422 -4.132 . . . . 0.0 108.001 173.273 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.63 0.9 OUTLIER -46.11 -53.93 9.47 Favored 'General case' 0 C--N 1.42 3.636 0 N-CA-C 118.392 2.738 . . . . 0.0 118.392 171.012 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.322 11.1 m95 -56.33 -46.99 79.66 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 119.723 3.231 . . . . 0.0 119.723 170.002 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 143.06 93.81 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.92 0 C-N-CA 128.131 2.572 . . . . 0.0 106.031 150.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.6 t -144.56 76.26 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.46 0 CA-C-N 110.937 -2.847 . . . . 0.0 114.53 -173.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -63.47 -29.64 70.89 Favored 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 116.76 2.133 . . . . 0.0 116.76 152.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -133.19 134.01 43.52 Favored 'General case' 0 N--CA 1.533 3.68 0 C-N-CA 130.523 3.529 . . . . 0.0 108.137 -153.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.441 ' HA ' ' HA ' ' A' ' 81' ' ' PRO 0.302 0.1 OUTLIER -80.04 129.68 69.27 Favored Pre-proline 0 C--N 1.398 2.682 0 C-N-CA 127.91 2.484 . . . . 0.0 107.825 163.344 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 80' ' ' MET 0.252 62.1 Cg_endo -143.6 141.65 0.0 OUTLIER 'Cis proline' 0 N--CA 1.519 3.02 1 CA-C-O 134.067 5.778 . . . . 0.0 116.958 -12.512 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 96' ' ' VAL . 6.3 m -118.31 122.32 42.61 Favored 'General case' 0 C--N 1.271 -2.814 1 CA-C-N 104.032 -5.985 . . . . 0.0 112.275 -148.718 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -95.37 137.85 33.86 Favored 'General case' 0 CA--C 1.592 2.578 1 C-N-CA 134.192 4.997 . . . . 0.0 107.331 173.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 mp -131.7 128.1 59.88 Favored 'Isoleucine or valine' 0 C--O 1.302 3.854 1 CA-C-O 129.142 4.306 . . . . 0.0 106.849 -174.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -102.77 114.54 28.87 Favored 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 130.159 3.383 . . . . 0.0 105.33 -176.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.259 0.2 OUTLIER -139.08 124.95 19.75 Favored 'General case' 0 CA--C 1.609 3.214 1 N-CA-C 99.855 -4.128 . . . . 0.0 99.855 -168.561 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -125.45 171.66 10.3 Favored 'General case' 0 C--N 1.272 -2.78 0 C-N-CA 128.317 2.647 . . . . 0.0 109.016 -169.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -57.47 52.62 0.0 OUTLIER 'General case' 0 CA--C 1.602 2.944 0 O-C-N 116.86 -3.65 . . . . 0.0 116.493 145.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -177.06 41.51 0.1 OUTLIER Glycine 0 CA--C 1.57 3.497 0 CA-C-N 114.374 -1.285 . . . . 0.0 111.371 174.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.295 26.1 mtmt 56.74 -167.71 0.11 Allowed 'General case' 0 C--O 1.266 1.97 0 C-N-CA 128.718 2.807 . . . . 0.0 111.951 -175.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.6 tp -58.06 100.35 0.06 Allowed 'General case' 0 CA--C 1.58 2.11 0 CA-C-O 125.094 2.378 . . . . 0.0 111.641 171.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.8 m -76.71 -33.72 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.567 0 N-CA-C 120.291 3.441 . . . . 0.0 120.291 167.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.94 165.96 15.68 Favored 'General case' 0 C--N 1.409 3.19 0 CA-C-N 125.909 3.959 . . . . 0.0 113.054 -172.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -160.81 129.88 4.77 Favored 'General case' 0 C--N 1.381 1.959 0 CA-C-O 122.819 1.295 . . . . 0.0 112.36 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.5 m -149.59 140.45 22.78 Favored 'General case' 0 CA--C 1.591 2.557 0 CA-C-O 124.798 2.237 . . . . 0.0 107.631 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.454 ' HA ' ' HA ' ' A' ' 82' ' ' THR 0.262 0.2 OUTLIER -138.05 106.27 3.7 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.081 1 CA-C-N 107.204 -4.544 . . . . 0.0 104.421 -163.69 . . . . . . . . 5 4 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 174.57 -148.88 10.08 Favored Glycine 0 N--CA 1.503 3.101 0 N-CA-C 105.08 -3.208 . . . . 0.0 105.08 169.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -166.57 101.83 0.59 Allowed 'General case' 0 CA--C 1.616 3.513 0 CA-C-N 110.943 -2.629 . . . . 0.0 108.956 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -146.87 118.82 8.16 Favored 'General case' 0 CA--C 1.573 1.854 0 N-CA-C 101.517 -3.512 . . . . 0.0 101.517 -174.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -46.21 -39.51 9.89 Favored 'General case' 0 N--CA 1.517 2.896 0 N-CA-C 118.463 2.764 . . . . 0.0 118.463 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.271 2.6 p30 -83.09 -46.65 12.54 Favored 'General case' 0 N--CA 1.52 3.047 0 C-N-CA 129.676 3.19 . . . . 0.0 115.024 171.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -44.1 -50.14 7.74 Favored Glycine 1 CA--C 1.579 4.068 0 N-CA-C 120.84 3.096 . . . . 0.0 120.84 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.4 tp -72.23 -60.54 2.19 Favored Pre-proline 0 CA--C 1.58 2.132 0 C-N-CA 130.146 3.378 . . . . 0.0 108.622 -176.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -44.18 -42.31 13.1 Favored 'Trans proline' 0 CA--C 1.562 1.887 0 CA-C-N 125.398 2.963 . . . . 0.0 118.983 166.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 21.3 m -60.24 -61.74 2.38 Favored 'General case' 0 CA--C 1.614 3.427 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 170.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 56.7 tp -42.13 -59.23 1.84 Allowed 'General case' 1 N--CA 1.544 4.275 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 170.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.1 t -55.33 -47.68 77.68 Favored 'Isoleucine or valine' 0 C--O 1.262 1.722 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 173.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.68 -47.02 20.44 Favored 'General case' 0 CA--C 1.569 1.689 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 168.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . 0.259 67.3 mttt -58.09 -45.27 87.46 Favored 'General case' 1 CA--C 1.631 4.087 0 O-C-N 119.563 -1.961 . . . . 0.0 115.004 172.448 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -70.02 -54.75 11.8 Favored 'General case' 0 N--CA 1.514 2.768 0 N-CA-C 120.022 3.342 . . . . 0.0 120.022 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.929 1 N-CA-C 122.626 4.306 . . . . 0.0 122.626 168.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 . . . . . 0 CA--C 1.595 2.694 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.8 -179.71 5.98 Favored Glycine 1 CA--C 1.449 -4.088 0 CA-C-O 119.102 -0.832 . . . . 0.0 113.243 158.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -161.48 138.0 8.32 Favored 'General case' 0 CA--C 1.591 2.528 0 N-CA-C 104.059 -2.571 . . . . 0.0 104.059 -176.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.1 t -97.98 117.36 42.67 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.565 0 C-N-CA 131.68 3.992 . . . . 0.0 109.156 174.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -136.15 112.23 12.49 Favored 'Isoleucine or valine' 1 CA--C 1.637 4.315 0 C-N-CA 126.104 1.762 . . . . 0.0 107.358 -164.679 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.02 144.28 34.86 Favored 'General case' 0 N--CA 1.405 -2.715 0 CA-C-N 112.557 -2.111 . . . . 0.0 116.38 169.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.0 m -145.07 134.85 23.54 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 111.41 -2.632 . . . . 0.0 111.849 -166.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -150.13 -11.98 0.26 Allowed 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 113.402 -3.19 . . . . 0.0 115.833 -162.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.2 p -158.05 -172.74 4.03 Favored 'General case' 0 CA--C 1.59 2.492 0 CA-C-N 122.86 2.573 . . . . 0.0 106.556 -162.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.7 p -59.15 -15.91 8.22 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.582 0 O-C-N 117.833 -3.042 . . . . 0.0 118.398 165.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -50.97 -44.95 60.71 Favored 'General case' 0 CA--C 1.59 2.514 1 N-CA-C 122.018 4.081 . . . . 0.0 122.018 155.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.412 3.6 t -56.81 -33.83 67.1 Favored 'General case' 0 CA--C 1.613 3.401 0 N-CA-C 119.943 3.312 . . . . 0.0 119.943 158.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 28.5 m95 -54.03 -42.32 69.01 Favored 'General case' 0 CA--C 1.608 3.194 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 161.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -52.59 -56.02 18.27 Favored 'General case' 0 N--CA 1.523 3.191 0 C-N-CA 127.028 2.131 . . . . 0.0 112.347 162.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -57.57 -70.34 0.13 Allowed 'General case' 0 CA--C 1.574 1.889 1 N-CA-C 122.887 4.403 . . . . 0.0 122.887 170.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -51.86 -58.22 7.08 Favored 'General case' 0 N--CA 1.5 2.056 0 CA-C-O 125.417 2.532 . . . . 0.0 116.26 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -56.04 -57.42 12.2 Favored 'General case' 0 N--CA 1.482 1.132 1 N-CA-C 124.981 5.178 . . . . 0.0 124.981 171.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.347 1.7 mm-40 -63.55 -50.81 68.03 Favored 'General case' 0 CA--C 1.588 2.425 0 C-N-CA 129.757 3.223 . . . . 0.0 117.478 176.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.304 33.9 mmtp -51.6 -65.94 0.47 Allowed 'General case' 0 CA--C 1.592 2.592 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 155.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.0 -92.56 0.01 OUTLIER Glycine 0 N--CA 1.512 3.751 0 N-CA-C 117.479 1.751 . . . . 0.0 117.479 175.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -65.73 96.5 0.28 Allowed 'General case' 0 CA--C 1.61 3.287 0 CA-C-N 123.013 3.407 . . . . 0.0 108.069 156.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.96 -63.72 0.3 Allowed Glycine 0 CA--C 1.575 3.811 0 CA-C-N 110.506 -3.043 . . . . 0.0 112.371 162.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.5 m -85.51 124.13 31.73 Favored 'General case' 0 C--N 1.287 -2.148 1 CA-C-N 106.105 -5.047 . . . . 0.0 105.082 -176.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -67.86 78.09 0.21 Allowed 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 112.343 -2.208 . . . . 0.0 116.664 173.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -151.44 177.62 10.11 Favored 'General case' 0 C--N 1.382 1.982 0 C-N-CA 129.704 3.202 . . . . 0.0 108.322 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.0 tp -108.17 153.51 23.07 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 129.74 3.216 . . . . 0.0 106.316 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.365 2.8 pt -146.5 135.55 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.843 0 C-N-CA 129.346 3.058 . . . . 0.0 104.037 -176.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.5 t -140.69 129.57 25.3 Favored 'Isoleucine or valine' 0 C--O 1.266 1.957 1 N-CA-C 100.163 -4.014 . . . . 0.0 100.163 -168.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.383 7.1 p -144.35 115.59 2.3 Favored 'Isoleucine or valine' 1 N--CA 1.567 5.4 0 O-C-N 118.622 -2.549 . . . . 0.0 109.155 -154.857 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -76.79 141.81 40.59 Favored 'General case' 0 CA--C 1.581 2.143 0 CA-C-N 112.677 -2.056 . . . . 0.0 111.069 163.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -137.4 105.59 5.72 Favored 'General case' 0 CA--C 1.578 2.042 1 C-N-CA 132.306 4.242 . . . . 0.0 100.806 175.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.9 t -149.31 153.22 37.16 Favored 'General case' 0 C--N 1.283 -2.314 1 O-C-N 130.106 4.629 . . . . 0.0 103.416 -168.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.293 . . -77.81 139.08 39.28 Favored 'General case' 0 C--O 1.29 3.2 0 C-N-CA 127.714 2.405 . . . . 0.0 110.398 159.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.9 t -51.42 -38.85 55.68 Favored 'General case' 0 N--CA 1.525 3.281 0 CA-C-O 128.375 3.94 . . . . 0.0 118.851 169.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -72.85 84.25 1.22 Allowed 'General case' 0 C--N 1.279 -2.473 0 CA-C-N 110.28 -3.146 . . . . 0.0 115.978 170.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 41.9 t -166.04 92.62 0.82 Allowed Pre-proline 1 N--CA 1.543 4.206 0 CA-C-O 116.18 -1.867 . . . . 0.0 108.89 -173.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.34 33.1 Cg_exo -47.28 -45.32 22.46 Favored 'Trans proline' 0 N--CA 1.523 3.259 0 N-CA-C 118.065 2.294 . . . . 0.0 118.065 164.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -46.42 -56.99 2.5 Favored 'Trans proline' 0 CA--C 1.573 2.461 0 N-CA-C 118.255 2.367 . . . . 0.0 118.255 162.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.473 ' HA ' HG22 ' A' ' 44' ' ' ILE 0.428 4.8 m -64.02 -23.97 67.54 Favored 'General case' 0 CA--C 1.574 1.869 0 N-CA-C 119.675 3.213 . . . . 0.0 119.675 170.309 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -57.57 -42.08 82.34 Favored 'General case' 0 N--CA 1.524 3.23 0 N-CA-C 117.471 2.397 . . . . 0.0 117.471 162.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.445 17.0 ptt? -63.83 -52.08 61.8 Favored 'General case' 0 CA--C 1.617 3.531 0 N-CA-C 119.355 3.094 . . . . 0.0 119.355 156.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 41' ' ' CYS 0.521 1.1 tp -43.66 -40.38 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.385 2.117 1 N-CA-C 121.812 4.005 . . . . 0.0 121.812 169.434 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.67 -62.88 3.81 Favored Pre-proline 0 C--O 1.265 1.889 1 CA-C-O 109.665 -4.969 . . . . 0.0 109.807 170.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -46.27 -39.95 21.63 Favored 'Trans proline' 0 CA--C 1.572 2.383 2 C-N-CA 127.772 5.648 . . . . 0.0 116.31 167.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.329 50.4 mm -55.37 -60.3 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 CA-C-N 122.518 2.417 . . . . 0.0 114.589 168.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -53.79 -36.27 62.25 Favored 'General case' 0 CA--C 1.623 3.766 0 C-N-CA 128.387 2.675 . . . . 0.0 110.762 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.68 -57.73 9.99 Favored 'General case' 0 C--N 1.368 1.384 0 N-CA-C 118.878 2.918 . . . . 0.0 118.878 162.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.66 -48.35 63.43 Favored 'General case' 0 C--O 1.261 1.688 0 O-C-N 117.909 -2.994 . . . . 0.0 117.347 168.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.92 -35.64 58.65 Favored 'General case' 0 CA--C 1.57 1.721 0 N-CA-C 117.362 2.356 . . . . 0.0 117.362 163.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . 0.272 . . -63.51 -47.82 80.12 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 126.859 2.063 . . . . 0.0 116.427 166.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -51.96 -34.49 42.37 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 117.762 2.504 . . . . 0.0 117.762 162.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.428 31.7 ttmt -64.97 -36.21 83.67 Favored 'General case' 0 C--N 1.392 2.437 0 N-CA-C 119.259 3.059 . . . . 0.0 119.259 169.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -130.99 89.8 41.42 Favored Pre-proline 0 CA--C 1.626 3.881 0 C-N-CA 130.095 3.358 . . . . 0.0 110.946 -154.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.385 63.0 Cg_endo -62.44 -34.66 75.63 Favored 'Trans proline' 1 CA--C 1.613 4.458 2 C-N-CA 130.91 7.74 . . . . 0.0 122.867 167.706 . . . . . . . . 4 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.403 0.5 OUTLIER -61.56 -11.7 12.32 Favored 'General case' 0 C--O 1.268 2.03 0 N-CA-C 121.37 3.841 . . . . 0.0 121.37 176.878 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.278 6.5 p -139.74 107.24 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 -145.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.8 m -65.57 157.61 29.31 Favored 'General case' 0 CA--C 1.584 2.28 0 N-CA-C 114.598 1.332 . . . . 0.0 114.598 161.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -149.58 126.96 11.46 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 108.855 -3.793 . . . . 0.0 106.679 -169.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.445 0.4 OUTLIER -143.01 147.58 35.35 Favored 'General case' 0 CA--C 1.609 3.223 0 CA-C-N 111.466 -2.606 . . . . 0.0 107.803 -168.349 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.455 33.3 pttt -139.07 108.53 6.15 Favored 'General case' 0 CA--C 1.622 3.746 0 N-CA-C 103.471 -2.789 . . . . 0.0 103.471 -170.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.5 t -89.63 127.38 42.3 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.35 0 CA-C-N 110.202 -3.181 . . . . 0.0 107.396 172.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -75.61 115.08 14.91 Favored 'General case' 0 C--N 1.39 2.343 0 CA-C-N 110.87 -2.877 . . . . 0.0 107.911 157.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.273 0.4 OUTLIER -53.93 -44.07 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 118.085 2.624 . . . . 0.0 118.085 163.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -50.96 -41.06 59.0 Favored 'General case' 1 N--CA 1.543 4.194 0 O-C-N 126.962 2.664 . . . . 0.0 115.557 171.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -47.59 80.47 Favored 'General case' 0 N--CA 1.514 2.746 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 155.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.4 mt -144.16 63.52 1.33 Allowed 'General case' 0 CA--C 1.605 3.094 1 CA-C-O 131.211 5.291 . . . . 0.0 111.984 -162.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.297 54.1 pttt -66.33 -47.51 73.26 Favored 'General case' 0 CA--C 1.573 1.854 0 CA-C-N 109.346 -3.57 . . . . 0.0 118.914 169.21 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.18 -60.05 3.92 Favored 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 118.565 2.802 . . . . 0.0 118.565 172.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.391 8.7 p -57.58 -50.25 77.87 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.741 0 CA-C-O 116.877 -1.535 . . . . 0.0 114.318 169.489 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.5 -48.15 38.24 Favored 'General case' 0 N--CA 1.506 2.332 0 CA-C-N 125.346 3.703 . . . . 0.0 118.403 172.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -52.05 -51.05 60.07 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-N 112.703 -2.044 . . . . 0.0 112.251 169.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.513 0.0 OUTLIER -48.19 -55.6 10.0 Favored 'General case' 0 N--CA 1.519 3.02 0 N-CA-C 119.057 2.984 . . . . 0.0 119.057 173.449 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -55.31 -50.36 69.78 Favored 'General case' 0 N--CA 1.514 2.735 0 O-C-N 126.8 2.562 . . . . 0.0 110.181 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.465 11.3 t30 150.86 88.42 0.0 OUTLIER 'General case' 0 C--O 1.263 1.808 0 C-N-CA 127.287 2.235 . . . . 0.0 107.318 154.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.3 t -147.9 83.72 0.11 Allowed 'Isoleucine or valine' 1 CA--C 1.648 4.75 1 N-CA-C 99.646 -4.205 . . . . 0.0 99.646 -166.332 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -81.67 7.44 12.36 Favored 'General case' 0 N--CA 1.424 -1.755 0 N-CA-C 119.808 3.262 . . . . 0.0 119.808 152.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -162.96 131.96 4.08 Favored 'General case' 1 CA--C 1.677 5.854 0 O-C-N 117.109 -3.494 . . . . 0.0 114.962 -171.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -75.06 112.87 20.05 Favored Pre-proline 0 CA--C 1.614 3.415 0 CA-C-O 112.591 -3.576 . . . . 0.0 112.682 165.407 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.378 96.1 Cg_endo -150.55 144.47 0.0 OUTLIER 'Cis proline' 0 C--N 1.396 3.03 0 N-CA-C 121.938 3.784 . . . . 0.0 121.938 -4.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.9 m -115.94 135.97 53.48 Favored 'General case' 0 N--CA 1.53 3.533 1 CA-C-N 107.62 -4.355 . . . . 0.0 107.198 -147.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -120.75 117.07 26.5 Favored 'General case' 0 N--CA 1.489 1.476 1 CA-C-N 106.424 -4.898 . . . . 0.0 101.733 -169.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.304 14.5 mt -126.75 135.54 63.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 2 CA-C-O 129.762 4.601 . . . . 0.0 106.11 -165.683 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -122.69 108.66 13.32 Favored 'General case' 0 CA--C 1.574 1.875 0 CA-C-N 109.736 -3.393 . . . . 0.0 105.87 -163.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.87 132.37 34.47 Favored 'General case' 0 N--CA 1.422 -1.826 0 CA-C-O 128.382 3.944 . . . . 0.0 104.78 -170.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -134.29 174.29 10.68 Favored 'General case' 0 CA--C 1.577 1.993 0 CA-C-N 111.142 -2.754 . . . . 0.0 111.319 -168.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.339 4.1 p-10 -57.97 44.94 0.0 OUTLIER 'General case' 0 CA--C 1.58 2.109 0 N-CA-C 120.556 3.539 . . . . 0.0 120.556 151.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.69 51.16 0.11 Allowed Glycine 1 CA--C 1.593 4.962 0 C-N-CA 126.389 1.947 . . . . 0.0 110.129 175.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.272 18.9 mtmt 49.87 -157.11 0.09 Allowed 'General case' 0 C--N 1.426 3.921 0 C-N-CA 129.537 3.135 . . . . 0.0 113.543 -176.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.3 tp -60.65 105.49 0.45 Allowed 'General case' 0 CA--C 1.613 3.399 0 O-C-N 118.121 -2.862 . . . . 0.0 108.674 172.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.383 35.3 m -76.31 -43.38 36.72 Favored 'Isoleucine or valine' 0 C--O 1.275 2.443 0 CA-C-O 113.726 -3.035 . . . . 0.0 117.155 165.068 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -170.82 169.69 6.78 Favored 'General case' 0 C--O 1.271 2.195 0 CA-C-N 122.228 2.285 . . . . 0.0 112.515 -176.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -158.75 139.89 13.06 Favored 'General case' 0 CA--C 1.617 3.528 0 CA-C-O 125.375 2.512 . . . . 0.0 108.559 -176.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.4 m -154.39 152.78 30.6 Favored 'General case' 0 CA--C 1.576 1.973 1 CA-C-N 107.498 -4.41 . . . . 0.0 105.618 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.65 102.8 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.468 0 O-C-N 126.256 2.223 . . . . 0.0 110.906 -165.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -168.3 -141.26 3.14 Favored Glycine 0 C--O 1.288 3.502 0 C-N-CA 117.196 -2.43 . . . . 0.0 111.818 -174.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 177.45 114.55 0.03 OUTLIER 'General case' 0 N--CA 1.524 3.273 0 N-CA-C 100.322 -3.955 . . . . 0.0 100.322 169.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . 0.267 5.8 t0 -161.18 130.55 4.73 Favored 'General case' 0 N--CA 1.522 3.155 0 N-CA-C 102.74 -3.059 . . . . 0.0 102.74 -177.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.278 56.7 pttt -59.05 -53.58 56.75 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-N 109.099 -3.682 . . . . 0.0 116.831 172.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.319 3.2 p30 -71.39 -46.64 59.81 Favored 'General case' 0 N--CA 1.406 -2.647 0 O-C-N 118.937 -2.352 . . . . 0.0 113.024 168.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -42.21 -53.77 4.76 Favored Glycine 1 CA--C 1.594 4.97 1 N-CA-C 125.691 5.036 . . . . 0.0 125.691 179.973 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.06 -51.54 54.8 Favored Pre-proline 0 CA--C 1.585 2.304 0 CA-C-O 113.976 -2.916 . . . . 0.0 116.127 171.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -48.16 -38.26 32.51 Favored 'Trans proline' 0 CA--C 1.552 1.382 0 CA-C-N 127.33 3.654 . . . . 0.0 120.404 157.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.341 26.2 m -64.48 -54.35 33.9 Favored 'General case' 0 CA--C 1.592 2.588 0 O-C-N 119.082 -2.261 . . . . 0.0 113.955 175.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.0 tp -55.89 -38.07 69.69 Favored 'General case' 1 N--CA 1.542 4.173 0 N-CA-C 121.227 3.788 . . . . 0.0 121.227 167.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.47 -50.06 77.86 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.664 0 C-N-CA 129.696 3.198 . . . . 0.0 116.154 168.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.68 -55.87 19.51 Favored 'General case' 0 C--N 1.277 -2.585 0 C-N-CA 126.087 1.755 . . . . 0.0 111.046 171.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -47.25 -46.17 24.31 Favored 'General case' 0 CA--C 1.621 3.71 0 O-C-N 119.384 -2.073 . . . . 0.0 115.486 168.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.44 46.6 m-70 -64.38 -52.25 59.2 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 119.659 3.207 . . . . 0.0 119.659 173.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.592 2.589 0 CA-C-O 112.956 -3.402 . . . . 0.0 117.185 164.267 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 N--CA 1.517 2.915 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.36 157.51 53.46 Favored Glycine 0 C--N 1.374 2.655 0 CA-C-O 126.437 3.243 . . . . 0.0 113.494 157.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -149.45 133.77 17.4 Favored 'General case' 0 CA--C 1.592 2.587 0 CA-C-N 112.267 -1.967 . . . . 0.0 108.026 -170.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.7 t -95.16 128.19 46.54 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-O 126.956 3.265 . . . . 0.0 105.424 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.29 0.5 OUTLIER -126.93 120.61 56.14 Favored 'Isoleucine or valine' 0 CA--C 1.609 3.239 0 C-N-CA 129.632 3.173 . . . . 0.0 104.065 -173.197 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.407 ' O ' ' SG ' ' A' ' 9' ' ' CYS . . . -59.22 147.19 36.44 Favored 'General case' 0 N--CA 1.506 2.357 0 CA-C-O 124.439 2.066 . . . . 0.0 111.905 165.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 8' ' ' ALA . 78.6 m -150.36 135.66 17.94 Favored 'General case' 0 CA--C 1.594 2.639 0 C-N-CA 125.199 1.4 . . . . 0.0 113.026 -172.009 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -151.16 -14.45 0.21 Allowed 'General case' 0 C--N 1.387 2.227 0 O-C-N 126.624 2.453 . . . . 0.0 112.503 -164.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.2 p -146.5 -177.29 5.55 Favored 'General case' 0 CA--C 1.6 2.887 0 CA-C-N 123.131 2.696 . . . . 0.0 110.47 -155.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -55.6 -17.84 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.259 0 O-C-N 126.975 2.672 . . . . 0.0 117.656 154.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.97 -41.69 62.33 Favored 'General case' 0 CA--C 1.614 3.415 0 N-CA-C 116.252 1.945 . . . . 0.0 116.252 167.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.416 ' HG1' HD13 ' A' ' 61' ' ' LEU 0.289 0.7 OUTLIER -62.64 -38.62 90.98 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 164.959 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -52.21 -49.96 62.9 Favored 'General case' 0 CA--C 1.569 1.681 0 O-C-N 118.635 -2.541 . . . . 0.0 114.628 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -58.46 -47.65 83.31 Favored 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 165.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.283 38.5 mt-10 -58.42 -65.08 0.71 Allowed 'General case' 0 CA--C 1.619 3.618 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 174.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -47.6 -64.74 0.71 Allowed 'General case' 0 CA--C 1.591 2.525 0 N-CA-C 117.895 2.554 . . . . 0.0 117.895 175.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.252 1.1 t80 -54.52 -59.36 4.8 Favored 'General case' 0 CA--C 1.62 3.67 0 N-CA-C 120.677 3.584 . . . . 0.0 120.677 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.18 -42.24 90.35 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -63.32 -63.08 1.29 Allowed 'General case' 0 CA--C 1.578 2.021 0 CA-C-N 122.219 2.281 . . . . 0.0 111.832 170.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.0 -75.75 0.2 Allowed Glycine 0 CA--C 1.569 3.411 0 O-C-N 120.897 -1.127 . . . . 0.0 115.475 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -79.73 91.31 5.28 Favored 'General case' 0 CA--C 1.62 3.657 0 CA-C-O 125.616 2.626 . . . . 0.0 106.511 161.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.4 -29.29 0.51 Allowed Glycine 0 C--O 1.293 3.817 0 N-CA-C 120.016 2.767 . . . . 0.0 120.016 162.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.1 m -119.29 138.26 53.13 Favored 'General case' 0 C--O 1.27 2.171 0 CA-C-N 110.87 -2.665 . . . . 0.0 106.188 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.341 0.2 OUTLIER -64.23 74.85 0.04 OUTLIER 'General case' 0 CA--C 1.592 2.594 0 CA-C-N 112.283 -2.235 . . . . 0.0 115.3 169.454 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.298 15.5 ptpt -158.54 154.03 26.0 Favored 'General case' 0 C--O 1.277 2.532 0 C-N-CA 126.553 1.941 . . . . 0.0 110.062 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 tp -86.17 153.52 21.99 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 124.628 2.156 . . . . 0.0 106.51 160.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.1 pt -149.5 137.53 14.31 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.723 0 N-CA-C 102.345 -3.206 . . . . 0.0 102.345 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.2 t -138.59 131.72 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 CA-C-N 110.473 -3.058 . . . . 0.0 105.737 -162.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.9 p -150.86 113.69 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.458 0 CA-C-O 123.345 1.545 . . . . 0.0 112.559 -158.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -77.15 133.14 39.05 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 129.542 3.137 . . . . 0.0 112.504 171.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -113.87 110.3 19.9 Favored 'General case' 0 C--O 1.276 2.472 0 CA-C-N 109.25 -3.614 . . . . 0.0 103.888 170.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -153.8 136.06 14.89 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 100.681 -3.822 . . . . 0.0 100.681 -171.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.25 153.8 39.26 Favored 'General case' 0 N--CA 1.388 -3.526 0 CA-C-N 109.8 -3.364 . . . . 0.0 116.979 150.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.1 t -55.34 -44.08 75.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 125.939 2.024 . . . . 0.0 115.42 162.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.403 40.5 p-90 -62.44 58.98 0.01 OUTLIER 'General case' 0 N--CA 1.525 3.309 1 CA-C-O 128.888 4.185 . . . . 0.0 115.994 165.536 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.4 t -153.95 81.02 4.8 Favored Pre-proline 0 N--CA 1.488 1.439 0 O-C-N 117.407 -3.308 . . . . 0.0 109.444 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.322 16.8 Cg_exo -47.35 -36.02 22.19 Favored 'Trans proline' 1 CA--C 1.619 4.746 0 N-CA-C 121.564 3.64 . . . . 0.0 121.564 160.932 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.78 -37.38 84.57 Favored 'Trans proline' 0 CA--C 1.584 3.003 0 C-N-CA 124.973 3.782 . . . . 0.0 120.422 158.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.616 ' HA ' HG22 ' A' ' 44' ' ' ILE 0.463 72.9 m -75.53 -28.29 59.03 Favored 'General case' 0 CA--C 1.593 2.602 0 N-CA-C 119.926 3.306 . . . . 0.0 119.926 162.075 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.32 37.2 tttp -60.07 -39.17 85.11 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 166.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.447 9.7 ptt? -60.5 -47.93 83.99 Favored 'General case' 1 N--CA 1.544 4.247 0 N-CA-C 119.325 3.083 . . . . 0.0 119.325 153.619 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.616 HG22 ' HA ' ' A' ' 41' ' ' CYS 0.603 1.1 tp -54.42 -42.9 60.89 Favored 'Isoleucine or valine' 0 C--O 1.283 2.856 1 N-CA-C 122.535 4.272 . . . . 0.0 122.535 178.512 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.85 -53.52 64.04 Favored Pre-proline 0 C--N 1.381 1.959 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 167.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -46.46 -41.86 23.12 Favored 'Trans proline' 0 CA--C 1.567 2.137 0 N-CA-C 121.206 3.502 . . . . 0.0 121.206 161.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mm -58.22 -60.46 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.647 0 O-C-N 117.729 -3.107 . . . . 0.0 113.766 164.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -44.99 -33.57 2.08 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 168.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.94 -51.9 42.3 Favored 'General case' 0 CA--C 1.587 2.384 0 O-C-N 118.505 -2.622 . . . . 0.0 115.137 166.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.01 -50.48 68.92 Favored 'General case' 0 N--CA 1.518 2.961 0 CA-C-O 115.9 -2.0 . . . . 0.0 115.804 171.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.0 -44.25 74.35 Favored 'General case' 1 CA--C 1.635 4.245 0 C-N-CA 126.201 1.8 . . . . 0.0 115.848 163.318 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.35 -43.76 75.33 Favored 'General case' 0 CA--C 1.617 3.524 0 O-C-N 119.119 -2.238 . . . . 0.0 116.328 171.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -58.06 -35.75 71.8 Favored 'General case' 0 CA--C 1.628 3.961 0 O-C-N 128.435 3.584 . . . . 0.0 117.003 166.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -63.24 -40.82 98.51 Favored 'General case' 0 CA--C 1.582 2.184 0 O-C-N 119.586 -1.946 . . . . 0.0 114.654 173.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -131.82 81.05 64.18 Favored Pre-proline 0 CA--C 1.609 3.247 0 O-C-N 126.629 2.455 . . . . 0.0 105.791 -147.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -56.67 -38.1 96.33 Favored 'Trans proline' 0 C--N 1.386 2.539 1 C-N-CA 125.521 4.147 . . . . 0.0 122.272 177.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.295 6.0 p-10 -57.27 1.1 0.04 OUTLIER 'General case' 0 CA--C 1.606 3.114 0 N-CA-C 118.821 2.897 . . . . 0.0 118.821 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.485 3.2 p -140.19 110.16 3.71 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.687 0 C-N-CA 126.711 2.004 . . . . 0.0 115.501 -152.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . 0.286 90.8 m -64.97 143.31 58.04 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 118.199 -2.813 . . . . 0.0 113.661 161.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -138.64 129.48 26.53 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 126.653 3.12 . . . . 0.0 106.211 -169.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.416 HD13 ' HG1' ' A' ' 14' ' ' THR 0.277 0.6 OUTLIER -152.19 156.1 39.11 Favored 'General case' 0 C--N 1.36 1.056 0 O-C-N 118.684 -2.51 . . . . 0.0 108.524 -171.24 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -148.98 113.85 5.41 Favored 'General case' 0 N--CA 1.526 3.375 0 O-C-N 118.916 -2.365 . . . . 0.0 106.202 -164.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . 0.326 44.4 t -92.47 109.97 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.619 3.611 0 O-C-N 127.447 2.967 . . . . 0.0 108.964 -174.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -70.27 99.45 1.54 Allowed 'General case' 0 CA--C 1.583 2.216 0 N-CA-C 103.426 -2.805 . . . . 0.0 103.426 163.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.327 0.3 OUTLIER -53.86 -30.12 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.931 1 N-CA-C 123.007 4.447 . . . . 0.0 123.007 176.248 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.51 -44.33 62.54 Favored 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 117.211 2.3 . . . . 0.0 117.211 171.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.345 10.0 mm-40 -59.16 -42.26 90.32 Favored 'General case' 0 CA--C 1.625 3.842 0 N-CA-C 120.199 3.407 . . . . 0.0 120.199 162.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.5 mt -139.91 52.19 1.7 Allowed 'General case' 1 CA--C 1.641 4.48 0 CA-C-O 125.067 2.365 . . . . 0.0 109.691 -153.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -76.2 -41.58 49.03 Favored 'General case' 0 C--O 1.252 1.211 0 CA-C-O 113.886 -2.959 . . . . 0.0 118.624 172.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.92 -57.0 11.77 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 128.622 3.701 . . . . 0.0 115.128 173.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.9 p -58.12 -50.19 79.02 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.881 1 N-CA-C 123.413 4.598 . . . . 0.0 123.413 163.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.92 -55.65 2.44 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 117.581 2.437 . . . . 0.0 117.581 163.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -47.06 -54.78 9.55 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-O 112.975 -3.393 . . . . 0.0 117.938 164.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.472 2.1 pt-20 -49.14 -51.02 34.72 Favored 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 175.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -58.64 -49.85 76.01 Favored 'General case' 0 C--N 1.377 1.783 0 CA-C-O 113.072 -3.346 . . . . 0.0 115.166 165.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.8 t30 157.34 84.51 0.0 OUTLIER 'General case' 0 CA--C 1.599 2.837 0 CA-C-N 123.545 2.884 . . . . 0.0 106.283 153.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.0 t -150.91 94.34 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.186 -2.254 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 -164.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.59 -5.91 56.75 Favored 'General case' 0 N--CA 1.526 3.364 0 C-N-CA 131.237 3.815 . . . . 0.0 112.742 164.404 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.57 131.59 19.27 Favored 'General case' 0 CA--C 1.604 3.049 0 O-C-N 125.547 1.779 . . . . 0.0 114.196 -152.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.77 115.09 32.25 Favored Pre-proline 0 N--CA 1.512 2.637 0 CA-C-O 114.86 -2.495 . . . . 0.0 111.499 152.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -150.71 143.97 0.0 OUTLIER 'Cis proline' 1 C--N 1.443 5.502 1 CA-C-O 133.537 5.557 . . . . 0.0 120.212 -4.353 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.4 m -126.57 135.04 50.74 Favored 'General case' 0 C--O 1.279 2.609 0 CA-C-N 109.185 -3.643 . . . . 0.0 106.311 -140.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -132.39 106.25 7.77 Favored 'General case' 0 N--CA 1.499 2.003 0 CA-C-N 108.814 -3.812 . . . . 0.0 108.867 -165.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.382 17.6 mt -109.9 146.24 15.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 1 C-N-CA 132.357 4.263 . . . . 0.0 106.647 -171.541 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -136.57 104.72 5.65 Favored 'General case' 0 CA--C 1.582 2.177 0 CA-C-N 108.575 -3.92 . . . . 0.0 104.577 -159.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.48 125.76 35.19 Favored 'General case' 0 CA--C 1.586 2.339 2 N-CA-C 96.019 -5.549 . . . . 0.0 96.019 -166.035 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -118.28 172.3 7.54 Favored 'General case' 0 CA--C 1.568 1.663 1 CA-C-N 106.328 -4.942 . . . . 0.0 111.398 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.333 5.1 p-10 -59.7 47.45 0.01 OUTLIER 'General case' 0 CA--C 1.626 3.868 0 N-CA-C 119.636 3.199 . . . . 0.0 119.636 148.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.26 30.93 0.19 Allowed Glycine 0 N--CA 1.513 3.785 0 O-C-N 127.733 3.145 . . . . 0.0 112.01 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.474 48.0 mtmt 59.57 -151.22 0.42 Allowed 'General case' 1 CA--C 1.64 4.412 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -165.552 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.5 tp -72.87 89.92 1.42 Allowed 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.367 22.8 m -63.63 -29.24 46.75 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 N-CA-C 118.756 2.872 . . . . 0.0 118.756 171.289 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -165.82 170.04 14.32 Favored 'General case' 0 CA--C 1.573 1.828 0 CA-C-N 121.685 2.039 . . . . 0.0 112.718 -177.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -165.95 130.96 2.35 Favored 'General case' 0 CA--C 1.576 1.954 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 176.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 87.1 m -145.74 157.63 43.92 Favored 'General case' 0 CA--C 1.619 3.61 0 N-CA-C 102.717 -3.068 . . . . 0.0 102.717 -172.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.278 0.2 OUTLIER -150.17 107.9 0.43 Allowed 'Isoleucine or valine' 0 C--O 1.292 3.32 0 N-CA-C 100.939 -3.726 . . . . 0.0 100.939 -168.405 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -179.27 -158.01 20.77 Favored Glycine 0 C--N 1.393 3.705 0 CA-C-N 114.023 -1.444 . . . . 0.0 109.968 174.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -167.34 116.67 0.83 Allowed 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -161.57 122.18 2.69 Favored 'General case' 0 CA--C 1.602 2.969 0 C-N-CA 127.299 2.24 . . . . 0.0 108.44 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.326 38.2 pttt -45.28 -33.4 2.39 Favored 'General case' 1 CA--C 1.639 4.402 1 N-CA-C 123.065 4.469 . . . . 0.0 123.065 170.908 . . . . . . . . 4 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -105.55 -47.07 4.01 Favored 'General case' 0 CA--C 1.561 1.402 1 C-N-CA 132.397 4.279 . . . . 0.0 114.652 -176.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -49.72 -43.57 38.1 Favored Glycine 0 CA--C 1.544 1.879 0 O-C-N 126.449 2.343 . . . . 0.0 117.917 173.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.429 34.4 tp -62.3 -60.73 9.24 Favored Pre-proline 0 N--CA 1.501 2.09 1 CA-C-O 111.588 -4.053 . . . . 0.0 110.899 171.756 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . 0.252 32.3 Cg_exo -44.49 -41.88 14.06 Favored 'Trans proline' 1 CA--C 1.608 4.18 0 C-N-CA 124.836 3.691 . . . . 0.0 114.82 170.897 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.322 37.0 m -58.2 -47.23 84.11 Favored 'General case' 0 CA--C 1.593 2.627 0 N-CA-C 118.517 2.784 . . . . 0.0 118.517 174.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.305 49.6 tp -60.13 -61.36 2.66 Favored 'General case' 0 CA--C 1.564 1.482 0 CA-C-N 108.899 -3.773 . . . . 0.0 113.075 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 51.7 t -58.32 -36.86 60.12 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.614 0 N-CA-C 117.689 2.477 . . . . 0.0 117.689 169.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.09 -57.34 4.55 Favored 'General case' 0 CA--C 1.562 1.423 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 162.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -52.33 -49.27 64.61 Favored 'General case' 0 CA--C 1.579 2.064 0 N-CA-C 120.672 3.582 . . . . 0.0 120.672 166.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -60.6 -59.66 5.04 Favored 'General case' 0 CA--C 1.602 2.943 0 C-N-CA 126.71 2.004 . . . . 0.0 112.446 171.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.581 2.135 0 N-CA-C 118.778 2.881 . . . . 0.0 118.778 171.007 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 CA--C 1.576 1.968 0 CA-C-O 119.177 -0.44 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.01 174.99 51.14 Favored Glycine 1 N--CA 1.532 5.067 1 O-C-N 129.167 4.042 . . . . 0.0 111.486 163.035 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -159.28 126.52 4.74 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 125.197 2.427 . . . . 0.0 107.733 -171.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.3 t -84.47 124.46 39.85 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.392 0 C-N-CA 129.792 3.237 . . . . 0.0 111.001 170.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.41 0.3 OUTLIER -126.13 114.52 38.96 Favored 'Isoleucine or valine' 1 CA--C 1.63 4.027 0 C-N-CA 130.268 3.427 . . . . 0.0 112.601 -179.629 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.41 137.38 52.97 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 118.388 -2.695 . . . . 0.0 112.557 165.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.1 m -149.28 131.11 15.13 Favored 'General case' 0 N--CA 1.493 1.724 1 CA-C-O 128.517 4.008 . . . . 0.0 106.696 -161.068 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -145.79 -15.38 0.48 Allowed 'General case' 0 CA--C 1.577 2.006 0 O-C-N 118.585 -2.572 . . . . 0.0 117.652 -160.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.9 p -149.79 -170.67 3.7 Favored 'General case' 0 CA--C 1.595 2.681 0 C-N-CA 125.205 1.402 . . . . 0.0 108.223 -163.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.256 8.4 p -61.09 -12.19 5.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 N-CA-C 120.17 3.396 . . . . 0.0 120.17 161.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.59 -54.69 33.89 Favored 'General case' 0 N--CA 1.523 3.182 0 O-C-N 119.869 -1.77 . . . . 0.0 114.825 163.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.488 ' HG1' HD13 ' A' ' 61' ' ' LEU 0.268 1.1 t -48.43 -41.82 30.48 Favored 'General case' 0 CA--C 1.578 2.052 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 165.047 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -52.59 -50.54 62.82 Favored 'General case' 0 CA--C 1.567 1.621 0 O-C-N 118.214 -2.804 . . . . 0.0 112.222 173.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.297 29.6 mtmt -48.28 -51.56 25.22 Favored 'General case' 0 CA--C 1.599 2.831 0 N-CA-C 118.306 2.706 . . . . 0.0 118.306 164.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -65.33 -60.55 2.85 Favored 'General case' 0 N--CA 1.535 3.782 0 N-CA-C 115.219 1.563 . . . . 0.0 115.219 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.4 ' O ' HD13 ' A' ' 29' ' ' ILE . 40.7 t-80 -51.49 -62.25 1.74 Allowed 'General case' 0 CA--C 1.591 2.546 0 C-N-CA 126.956 2.102 . . . . 0.0 114.265 176.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.89 -58.76 6.28 Favored 'General case' 0 CA--C 1.62 3.648 0 N-CA-C 120.128 3.381 . . . . 0.0 120.128 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.311 52.3 mm-40 -54.6 -47.08 73.82 Favored 'General case' 0 N--CA 1.509 2.507 0 CA-C-O 115.251 -2.309 . . . . 0.0 114.266 168.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -52.35 -60.19 3.52 Favored 'General case' 0 CA--C 1.617 3.527 0 CA-C-N 122.109 2.231 . . . . 0.0 116.078 165.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.36 -86.61 0.02 OUTLIER Glycine 0 N--CA 1.491 2.313 0 C-N-CA 125.129 1.347 . . . . 0.0 116.174 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -75.84 99.39 4.45 Favored 'General case' 0 C--O 1.196 -1.737 0 CA-C-O 125.083 2.373 . . . . 0.0 105.103 163.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.16 -48.46 0.48 Allowed Glycine 1 CA--C 1.623 6.797 0 C-N-CA 126.912 2.196 . . . . 0.0 112.994 161.033 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m -92.91 122.71 35.56 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 128.447 2.699 . . . . 0.0 105.174 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -58.87 77.51 0.01 OUTLIER 'General case' 0 N--CA 1.521 3.109 0 CA-C-O 125.471 2.558 . . . . 0.0 113.233 169.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -165.05 171.35 14.0 Favored 'General case' 0 C--O 1.273 2.301 0 CA-C-N 113.522 -1.672 . . . . 0.0 109.358 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.2 tp -94.26 150.58 20.17 Favored 'General case' 0 CA--C 1.604 3.028 0 CA-C-O 126.633 3.111 . . . . 0.0 107.394 165.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.4 HD13 ' O ' ' A' ' 18' ' ' HIS 0.292 1.0 OUTLIER -139.97 144.18 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.856 1 CA-C-N 107.802 -4.272 . . . . 0.0 102.718 178.683 . . . . . . . . 5 4 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.7 t -146.02 136.06 18.02 Favored 'Isoleucine or valine' 0 C--O 1.249 1.076 0 O-C-N 126.727 2.517 . . . . 0.0 106.808 -171.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 6.0 p -152.48 116.7 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.403 2.917 0 CA-C-O 125.121 2.391 . . . . 0.0 113.857 -164.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -78.41 129.61 35.14 Favored 'General case' 0 CA--C 1.569 1.689 0 CA-C-O 125.982 2.801 . . . . 0.0 106.797 168.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -114.85 103.55 11.06 Favored 'General case' 0 CA--C 1.594 2.66 1 N-CA-C 99.425 -4.287 . . . . 0.0 99.425 169.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.1 t -148.81 150.51 33.17 Favored 'General case' 0 C--O 1.264 1.857 0 N-CA-C 101.054 -3.684 . . . . 0.0 101.054 -169.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.52 152.49 22.17 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 128.175 2.59 . . . . 0.0 111.088 172.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.6 t -56.13 -39.06 71.67 Favored 'General case' 0 CA--C 1.582 2.18 0 N-CA-C 117.867 2.544 . . . . 0.0 117.867 158.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -62.07 71.84 0.02 OUTLIER 'General case' 0 C--O 1.193 -1.89 0 N-CA-C 117.367 2.358 . . . . 0.0 117.367 154.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.0 t -168.63 96.67 0.55 Allowed Pre-proline 1 N--CA 1.544 4.273 0 C-N-CA 127.514 2.325 . . . . 0.0 112.914 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -65.38 -44.38 9.03 Favored 'Trans proline' 0 N--CA 1.531 3.695 1 C-N-CA 126.924 5.083 . . . . 0.0 112.613 165.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -46.78 -49.71 11.85 Favored 'Trans proline' 0 CA--C 1.583 2.928 0 N-CA-C 121.851 3.751 . . . . 0.0 121.851 165.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.454 60.4 m -70.79 -18.02 62.76 Favored 'General case' 0 N--CA 1.508 2.434 1 N-CA-C 121.822 4.008 . . . . 0.0 121.822 159.749 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -55.84 -53.88 51.37 Favored 'General case' 0 N--CA 1.52 3.047 0 O-C-N 118.419 -2.676 . . . . 0.0 114.859 160.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.323 24.9 ptt? -59.85 -40.37 88.34 Favored 'General case' 0 N--CA 1.525 3.291 0 N-CA-C 118.707 2.855 . . . . 0.0 118.707 163.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.593 1.0 OUTLIER -52.18 -35.07 18.72 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.202 0 N-CA-C 119.853 3.279 . . . . 0.0 119.853 163.405 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.268 . . -48.59 -73.0 0.12 Allowed Pre-proline 0 N--CA 1.524 3.27 0 O-C-N 118.765 -2.46 . . . . 0.0 111.167 169.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -46.58 -33.61 13.53 Favored 'Trans proline' 0 N--CA 1.501 1.963 1 N-CA-C 125.946 5.325 . . . . 0.0 125.946 162.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.527 19.4 mm -51.49 -63.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.378 1.813 0 N-CA-C 119.086 2.995 . . . . 0.0 119.086 163.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.33 68.3 t80 -46.7 -42.84 17.2 Favored 'General case' 0 CA--C 1.605 3.093 0 CA-C-N 110.413 -3.085 . . . . 0.0 115.063 171.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.333 . . -56.52 -52.77 63.51 Favored 'General case' 0 CA--C 1.612 3.33 1 N-CA-C 124.608 5.04 . . . . 0.0 124.608 160.214 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -59.6 -51.42 69.89 Favored 'General case' 0 C--N 1.378 1.836 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 171.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.281 1.2 tm? -51.98 -40.35 60.79 Favored 'General case' 0 N--CA 1.509 2.488 0 N-CA-C 117.079 2.251 . . . . 0.0 117.079 161.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.43 -36.57 73.82 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 117.884 2.55 . . . . 0.0 117.884 166.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -66.06 -34.96 79.26 Favored 'General case' 1 N--CA 1.552 4.651 0 N-CA-C 117.798 2.518 . . . . 0.0 117.798 167.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -69.68 -28.76 66.12 Favored 'General case' 0 CA--C 1.574 1.866 0 CA-C-N 110.877 -2.874 . . . . 0.0 116.528 172.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -137.04 102.8 9.05 Favored Pre-proline 0 CA--C 1.627 3.916 0 C-N-CA 131.486 3.914 . . . . 0.0 111.77 -159.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.353 0.3 OUTLIER -64.37 -38.67 33.02 Favored 'Trans proline' 0 C--N 1.41 3.796 2 N-CA-C 131.61 7.504 . . . . 0.0 131.61 175.442 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.286 5.8 p-10 -65.11 2.08 0.85 Allowed 'General case' 0 N--CA 1.515 2.815 0 C-N-CA 131.337 3.855 . . . . 0.0 115.875 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.306 7.4 p -144.49 102.13 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.609 3.218 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -148.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . 0.33 11.9 m -62.89 154.56 29.81 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 118.794 2.887 . . . . 0.0 118.794 149.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -145.79 132.61 20.07 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 112.324 -2.217 . . . . 0.0 107.365 -165.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.488 HD13 ' HG1' ' A' ' 14' ' ' THR . 0.7 OUTLIER -153.51 151.38 29.75 Favored 'General case' 0 C--N 1.365 1.259 0 N-CA-C 104.315 -2.476 . . . . 0.0 104.315 -165.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.286 44.7 pttt -144.77 113.67 6.84 Favored 'General case' 0 C--O 1.262 1.713 0 C-N-CA 125.755 1.622 . . . . 0.0 109.961 -170.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.5 t -89.46 113.34 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.75 1 C-N-CA 132.585 4.354 . . . . 0.0 110.898 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -59.46 104.72 0.29 Allowed 'General case' 0 N--CA 1.519 3.006 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 151.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.9 p -56.09 -43.6 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.724 0 C-N-CA 125.255 1.422 . . . . 0.0 114.757 174.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -45.7 -38.03 6.44 Favored 'General case' 0 N--CA 1.519 2.986 0 CA-C-N 122.221 2.282 . . . . 0.0 113.518 172.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -63.2 -48.07 79.89 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 125.388 1.475 . . . . 0.0 114.26 166.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.7 mt -139.45 52.91 1.72 Allowed 'General case' 0 CA--C 1.581 2.141 0 C-N-CA 129.12 2.968 . . . . 0.0 111.362 -157.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -73.74 -49.23 26.55 Favored 'General case' 0 CA--C 1.582 2.205 0 C-N-CA 128.754 2.821 . . . . 0.0 110.016 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.93 -57.07 7.05 Favored 'General case' 0 C--N 1.397 2.651 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.412 12.3 p -52.44 -50.36 39.24 Favored 'Isoleucine or valine' 0 C--N 1.378 1.829 0 N-CA-C 121.001 3.704 . . . . 0.0 121.001 161.079 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.92 -49.66 29.34 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 117.751 -3.093 . . . . 0.0 112.901 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -53.67 -53.6 49.68 Favored 'General case' 0 N--CA 1.503 2.181 0 CA-C-O 113.312 -3.232 . . . . 0.0 109.943 170.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.798 1.2 pt-20 -44.61 -58.59 2.93 Favored 'General case' 0 C--O 1.275 2.431 0 N-CA-C 120.234 3.42 . . . . 0.0 120.234 175.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -58.0 -43.29 86.55 Favored 'General case' 0 N--CA 1.497 1.924 1 O-C-N 115.357 -4.59 . . . . 0.0 115.221 171.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.292 8.9 t30 146.53 86.73 0.0 OUTLIER 'General case' 0 CA--C 1.614 3.416 0 CA-C-O 126.083 2.849 . . . . 0.0 103.486 146.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . 0.387 7.4 t -134.45 73.78 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.611 3.321 0 CA-C-N 112.323 -2.217 . . . . 0.0 110.636 -174.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.297 0.0 OUTLIER -64.47 -19.74 65.75 Favored 'General case' 0 CA--C 1.587 2.387 0 N-CA-C 120.804 3.631 . . . . 0.0 120.804 148.184 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.04 141.49 23.37 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 124.044 1.878 . . . . 0.0 110.295 -160.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.06 119.51 73.46 Favored Pre-proline 0 N--CA 1.499 1.987 0 CA-C-N 110.164 -3.198 . . . . 0.0 106.241 171.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.341 9.0 Cg_endo -157.5 149.85 0.0 OUTLIER 'Cis proline' 0 C--N 1.399 3.235 0 N-CA-C 120.362 3.178 . . . . 0.0 120.362 -3.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.2 m -118.9 112.46 19.68 Favored 'General case' 0 N--CA 1.496 1.839 2 CA-C-N 103.725 -6.125 . . . . 0.0 105.95 -142.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -93.21 120.21 33.24 Favored 'General case' 0 C--O 1.302 3.817 0 O-C-N 127.492 2.995 . . . . 0.0 106.263 169.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -108.29 144.62 16.56 Favored 'Isoleucine or valine' 1 CA--C 1.633 4.156 0 C-N-CA 130.541 3.537 . . . . 0.0 109.095 179.535 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -128.66 111.52 13.26 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 100.771 -3.788 . . . . 0.0 100.771 -161.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.35 127.09 20.45 Favored 'General case' 0 CA--C 1.566 1.568 1 CA-C-O 131.603 5.478 . . . . 0.0 103.658 -169.421 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -128.09 176.26 7.77 Favored 'General case' 0 C--O 1.282 2.809 1 O-C-N 114.914 -4.866 . . . . 0.0 110.366 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -60.81 41.04 0.01 OUTLIER 'General case' 1 N--CA 1.545 4.281 0 CA-C-O 127.121 3.343 . . . . 0.0 119.809 157.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.48 44.65 0.39 Allowed Glycine 0 N--CA 1.493 2.442 0 CA-C-N 112.787 -2.006 . . . . 0.0 111.6 177.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.297 51.6 mtmt 50.9 -157.06 0.11 Allowed 'General case' 0 N--CA 1.527 3.385 0 C-N-CA 125.428 1.491 . . . . 0.0 113.114 -172.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.4 tp -66.76 92.96 0.23 Allowed 'General case' 0 CA--C 1.594 2.657 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 170.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.4 m -68.31 -30.16 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 1 N-CA-C 122.585 4.291 . . . . 0.0 122.585 170.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -168.0 164.23 13.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.047 -1.658 . . . . 0.0 113.222 -177.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . 0.337 18.0 pttm -157.01 139.16 14.56 Favored 'General case' 0 CA--C 1.609 3.215 0 C-N-CA 126.09 1.756 . . . . 0.0 110.033 -173.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 38.1 m -162.52 149.02 12.98 Favored 'General case' 0 C--N 1.288 -2.079 0 CA-C-O 124.622 2.153 . . . . 0.0 109.435 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.82 99.39 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.514 2.737 0 CA-C-O 126.75 3.166 . . . . 0.0 109.41 -163.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -166.05 -149.43 5.91 Favored Glycine 0 C--O 1.273 2.55 0 O-C-N 117.923 -2.986 . . . . 0.0 115.575 -177.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -176.83 102.65 0.06 Allowed 'General case' 0 CA--C 1.556 1.195 0 CA-C-N 122.935 3.367 . . . . 0.0 109.03 177.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -165.74 132.35 2.7 Favored 'General case' 0 CA--C 1.58 2.122 0 CA-C-N 120.982 1.719 . . . . 0.0 109.133 -173.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.431 36.5 pttt -47.39 -66.38 0.41 Allowed 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 119.145 3.017 . . . . 0.0 119.145 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.398 9.4 p-10 -56.89 -43.15 81.01 Favored 'General case' 0 CA--C 1.591 2.557 0 N-CA-C 116.669 2.1 . . . . 0.0 116.669 167.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -39.83 -81.36 0.03 OUTLIER Glycine 1 N--CA 1.529 4.854 0 N-CA-C 117.949 1.94 . . . . 0.0 117.949 174.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.298 57.8 tp -37.69 -57.34 1.58 Allowed Pre-proline 0 N--CA 1.508 2.45 1 N-CA-C 123.891 4.774 . . . . 0.0 123.891 172.75 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -43.31 -47.72 8.74 Favored 'Trans proline' 0 CA--C 1.588 3.222 0 C-N-CA 124.11 3.207 . . . . 0.0 119.369 160.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.472 89.7 m -52.08 -60.26 3.41 Favored 'General case' 0 N--CA 1.52 3.036 0 N-CA-C 116.75 2.13 . . . . 0.0 116.75 170.269 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 45.8 tp -53.41 -59.66 4.29 Favored 'General case' 0 CA--C 1.573 1.837 0 C-N-CA 128.267 2.627 . . . . 0.0 115.088 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.282 84.0 t -45.64 -55.38 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.517 2.91 0 O-C-N 117.681 -3.137 . . . . 0.0 116.04 166.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.69 -52.93 10.14 Favored 'General case' 0 C--N 1.368 1.396 0 N-CA-C 119.254 3.057 . . . . 0.0 119.254 169.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -46.13 -52.15 12.72 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 117.208 2.299 . . . . 0.0 117.208 161.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -57.81 -71.18 0.11 Allowed 'General case' 0 CA--C 1.615 3.476 0 N-CA-C 117.515 2.413 . . . . 0.0 117.515 174.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . 0.274 . . . . . . . 0 CA--C 1.586 2.355 0 N-CA-C 119.324 3.083 . . . . 0.0 119.324 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 . . . . . 0 N--CA 1.514 2.757 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.92 -176.5 42.49 Favored Glycine 0 CA--C 1.549 2.161 0 CA-C-N 112.199 -2.273 . . . . 0.0 114.159 153.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -156.86 157.45 34.94 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-O 125.108 2.385 . . . . 0.0 111.201 -170.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.9 t -125.16 121.67 61.3 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.626 0 C-N-CA 129.122 2.969 . . . . 0.0 105.969 -161.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.1 125.29 51.31 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.125 0 N-CA-C 102.469 -3.16 . . . . 0.0 102.469 -165.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.86 141.15 51.27 Favored 'General case' 0 C--O 1.246 0.892 0 N-CA-C 119.335 3.087 . . . . 0.0 119.335 163.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.446 ' SG ' HD13 ' A' ' 61' ' ' LEU . 62.2 m -146.67 132.57 19.1 Favored 'General case' 0 CA--C 1.595 2.686 0 CA-C-O 127.395 3.474 . . . . 0.0 106.565 -166.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -141.46 -4.32 1.13 Allowed 'General case' 0 N--CA 1.507 2.423 0 CA-C-N 108.717 -3.856 . . . . 0.0 119.046 -170.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.3 p -149.77 -169.37 3.36 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 119.465 -2.022 . . . . 0.0 112.265 -157.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.359 14.5 p -56.89 -13.97 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.539 3.984 1 N-CA-C 121.917 4.043 . . . . 0.0 121.917 153.137 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.265 76.5 m-20 -48.49 -48.62 37.85 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 118.637 2.829 . . . . 0.0 118.637 169.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.294 6.6 t -63.26 -31.27 72.38 Favored 'General case' 0 CA--C 1.603 3.018 0 CA-C-N 111.824 -2.444 . . . . 0.0 116.059 169.056 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . 0.253 19.4 m95 -54.25 -41.79 69.19 Favored 'General case' 0 CA--C 1.593 2.611 0 O-C-N 118.685 -2.51 . . . . 0.0 117.131 165.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -61.88 -54.86 36.24 Favored 'General case' 2 N--CA 1.54 4.075 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 159.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.318 33.8 mt-10 -56.28 -63.67 1.11 Allowed 'General case' 0 CA--C 1.575 1.915 1 N-CA-C 126.739 5.829 . . . . 0.0 126.739 175.661 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -53.06 -62.71 1.48 Allowed 'General case' 0 CA--C 1.592 2.593 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 173.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.406 1.1 t80 -50.52 -58.85 4.82 Favored 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 174.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.369 39.2 mm-40 -61.07 -60.38 3.86 Favored 'General case' 0 CA--C 1.571 1.78 0 C-N-CA 127.985 2.514 . . . . 0.0 115.142 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -47.26 -56.91 5.86 Favored 'General case' 0 N--CA 1.5 2.025 0 CA-C-N 122.86 2.573 . . . . 0.0 112.099 167.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.59 -95.31 0.01 OUTLIER Glycine 1 CA--C 1.61 5.974 1 C-N-CA 130.723 4.011 . . . . 0.0 111.592 -177.976 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -70.53 100.33 1.79 Allowed 'General case' 0 C--N 1.383 2.055 0 CA-C-O 122.817 1.294 . . . . 0.0 110.527 157.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.34 -41.31 0.51 Allowed Glycine 0 CA--C 1.552 2.4 0 CA-C-N 112.671 -2.059 . . . . 0.0 114.517 160.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.8 m -106.65 124.77 50.11 Favored 'General case' 0 CA--C 1.605 3.071 0 O-C-N 129.314 3.597 . . . . 0.0 106.843 -172.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -65.62 75.65 0.07 Allowed 'General case' 0 N--CA 1.506 2.36 0 CA-C-N 113.498 -1.683 . . . . 0.0 114.582 167.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.284 0.1 OUTLIER -158.25 164.02 36.87 Favored 'General case' 0 CA--C 1.627 3.908 0 N-CA-C 102.334 -3.21 . . . . 0.0 102.334 -178.526 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.34 31.8 tp -89.31 152.85 21.31 Favored 'General case' 0 C--O 1.266 1.94 0 CA-C-N 110.195 -3.184 . . . . 0.0 111.966 161.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.332 1.4 pt -148.87 133.78 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 C-N-CA 129.843 3.257 . . . . 0.0 104.229 -175.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -139.14 140.25 38.45 Favored 'Isoleucine or valine' 0 CA--C 1.629 3.999 0 CA-C-O 126.717 3.151 . . . . 0.0 102.924 -173.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.7 p -150.96 109.16 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.452 0 CA-C-O 124.279 1.99 . . . . 0.0 110.329 -164.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -66.68 136.95 56.3 Favored 'General case' 0 CA--C 1.573 1.86 0 C-N-CA 127.228 2.211 . . . . 0.0 114.218 158.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -135.54 93.61 2.98 Favored 'General case' 0 CA--C 1.561 1.394 0 N-CA-C 102.682 -3.081 . . . . 0.0 102.682 -169.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.1 t -135.72 151.63 50.34 Favored 'General case' 0 C--O 1.272 2.238 0 CA-C-O 127.9 3.714 . . . . 0.0 103.722 -161.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.86 128.58 33.52 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 110.866 -2.879 . . . . 0.0 114.295 158.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.298 8.0 t -47.32 -33.9 6.24 Favored 'General case' 0 N--CA 1.517 2.885 0 N-CA-C 120.021 3.341 . . . . 0.0 120.021 172.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 54.1 p-90 -83.91 90.24 7.36 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 128.577 2.751 . . . . 0.0 105.309 166.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.496 ' SG ' ' HD2' ' A' ' 40' ' ' PRO . 53.4 t -170.06 95.92 0.48 Allowed Pre-proline 0 CA--C 1.565 1.524 0 CA-C-O 113.46 -3.162 . . . . 0.0 110.772 174.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -53.03 -42.25 65.91 Favored 'Trans proline' 1 CA--C 1.633 5.458 0 N-CA-C 120.074 3.067 . . . . 0.0 120.074 159.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.496 ' HD2' ' SG ' ' A' ' 38' ' ' CYS . 24.2 Cg_exo -53.74 -50.54 13.4 Favored 'Trans proline' 1 CA--C 1.611 4.336 0 C-N-CA 124.294 3.329 . . . . 0.0 116.027 168.756 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.636 66.7 m -62.66 -28.06 69.67 Favored 'General case' 0 CA--C 1.582 2.178 1 N-CA-C 124.791 5.108 . . . . 0.0 124.791 160.256 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -56.16 -51.62 67.33 Favored 'General case' 0 CA--C 1.572 1.818 0 CA-C-O 112.466 -3.635 . . . . 0.0 115.802 163.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.354 11.6 ptt? -63.18 -35.16 79.37 Favored 'General case' 0 N--CA 1.502 2.139 1 N-CA-C 122.394 4.22 . . . . 0.0 122.394 159.484 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.581 1.0 OUTLIER -54.58 -38.37 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 166.415 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.261 . . -50.21 -56.81 15.52 Favored Pre-proline 0 C--O 1.186 -2.254 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 165.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -48.52 -40.94 37.39 Favored 'Trans proline' 0 N--CA 1.507 2.311 2 O-C-N 113.173 -4.172 . . . . 0.0 121.304 161.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.38 40.4 mm -51.06 -55.57 7.08 Favored 'Isoleucine or valine' 0 C--N 1.392 2.422 1 O-C-N 115.215 -4.678 . . . . 0.0 115.412 162.292 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.31 -31.97 70.78 Favored 'General case' 0 C--N 1.395 2.546 0 C-N-CA 127.527 2.331 . . . . 0.0 116.199 171.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.36 . . -68.5 -55.49 11.57 Favored 'General case' 0 C--O 1.276 2.498 0 N-CA-C 117.535 2.42 . . . . 0.0 117.535 163.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.256 7.1 tm-20 -50.83 -58.26 6.39 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 118.254 -2.779 . . . . 0.0 116.919 167.061 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.5 -47.35 14.16 Favored 'General case' 0 CA--C 1.571 1.768 0 O-C-N 127.358 2.911 . . . . 0.0 115.262 169.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.01 -44.27 74.39 Favored 'General case' 0 CA--C 1.559 1.304 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 168.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -56.4 -38.44 71.52 Favored 'General case' 0 N--CA 1.504 2.24 0 CA-C-O 127.891 3.71 . . . . 0.0 117.652 168.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -62.07 -30.07 70.74 Favored 'General case' 0 CA--C 1.608 3.184 1 O-C-N 116.164 -4.085 . . . . 0.0 118.359 166.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -136.97 98.51 10.48 Favored Pre-proline 1 CA--C 1.633 4.165 0 C-N-CA 127.489 2.315 . . . . 0.0 113.688 -156.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.516 0.1 OUTLIER -66.37 -35.26 31.94 Favored 'Trans proline' 0 N--CA 1.512 2.59 2 C-N-CA 131.969 8.446 . . . . 0.0 129.911 -179.294 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.447 7.4 p30 -69.71 -2.82 12.92 Favored 'General case' 0 N--CA 1.503 2.217 0 C-N-CA 128.34 2.656 . . . . 0.0 114.511 -176.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.353 2.6 p -140.57 118.54 9.91 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.141 0 CA-C-O 115.927 -1.987 . . . . 0.0 108.716 -142.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.5 m -88.83 146.84 24.73 Favored 'General case' 0 CA--C 1.597 2.769 0 C-N-CA 130.122 3.369 . . . . 0.0 102.602 174.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -133.35 126.92 32.4 Favored 'General case' 0 C--O 1.266 1.957 0 C-N-CA 130.901 3.68 . . . . 0.0 109.975 -176.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.446 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.433 0.4 OUTLIER -149.43 139.8 22.35 Favored 'General case' 0 N--CA 1.533 3.69 0 O-C-N 120.619 -1.3 . . . . 0.0 109.731 -164.215 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -138.36 120.33 15.49 Favored 'General case' 0 CA--C 1.577 2.013 0 N-CA-C 104.98 -2.23 . . . . 0.0 104.98 -156.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.9 t -127.26 119.77 53.4 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.02 0 N-CA-C 101.449 -3.537 . . . . 0.0 101.449 -157.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -63.71 108.22 1.37 Allowed 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 111.923 -2.399 . . . . 0.0 110.7 161.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.262 0.8 OUTLIER -60.05 -37.93 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.916 0 C-N-CA 125.799 1.64 . . . . 0.0 114.781 178.272 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -48.57 -47.86 39.3 Favored 'General case' 0 CA--C 1.565 1.551 0 N-CA-C 119.699 3.222 . . . . 0.0 119.699 168.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -67.28 -34.55 77.63 Favored 'General case' 0 CA--C 1.58 2.114 0 N-CA-C 121.043 3.72 . . . . 0.0 121.043 159.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.6 mt -141.83 61.29 1.46 Allowed 'General case' 0 CA--C 1.59 2.509 0 CA-C-O 125.472 2.558 . . . . 0.0 110.854 -163.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -80.0 -41.18 26.35 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 112.394 -2.184 . . . . 0.0 115.623 172.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.335 . . -54.52 -59.52 4.59 Favored 'General case' 0 CA--C 1.605 3.077 0 CA-C-N 121.455 1.934 . . . . 0.0 114.92 175.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.288 7.7 p -56.65 -57.93 7.48 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.672 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 169.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.25 -45.37 2.9 Favored 'General case' 0 N--CA 1.536 3.867 0 N-CA-C 120.401 3.482 . . . . 0.0 120.401 168.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -54.41 -54.1 45.26 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 127.241 2.216 . . . . 0.0 111.382 168.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.71 -51.22 40.2 Favored 'General case' 0 C--N 1.415 3.443 0 C-N-CA 128.702 2.801 . . . . 0.0 115.207 171.194 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.459 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 37.7 m95 -55.01 -57.06 13.25 Favored 'General case' 0 CA--C 1.601 2.925 0 CA-C-N 123.973 3.078 . . . . 0.0 109.942 171.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 75' ' ' TRP . 5.4 t30 154.73 89.5 0.0 OUTLIER 'General case' 1 N--CA 1.562 5.147 0 O-C-N 127.383 2.927 . . . . 0.0 103.725 155.625 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 t -151.13 67.71 0.06 OUTLIER 'Isoleucine or valine' 1 N--CA 1.546 4.356 0 CA-C-O 124.652 2.168 . . . . 0.0 107.268 -168.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.34 2.0 pp20? -68.28 -8.53 40.29 Favored 'General case' 0 CA--C 1.599 2.856 0 N-CA-C 120.579 3.548 . . . . 0.0 120.579 149.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.92 139.71 38.11 Favored 'General case' 0 CA--C 1.582 2.186 0 C-N-CA 130.129 3.372 . . . . 0.0 112.523 -165.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.16 121.79 73.98 Favored Pre-proline 0 N--CA 1.532 3.627 0 O-C-N 128.417 3.573 . . . . 0.0 105.373 162.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.429 25.7 Cg_endo -151.94 134.34 0.0 OUTLIER 'Cis proline' 1 N--CA 1.543 4.405 0 N-CA-C 120.181 3.108 . . . . 0.0 120.181 -12.608 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . 0.39 7.3 m -97.97 132.94 43.1 Favored 'General case' 0 C--O 1.176 -2.786 3 CA-C-N 105.508 -5.315 . . . . 0.0 110.935 -154.437 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -111.85 125.1 53.66 Favored 'General case' 0 C--O 1.289 3.15 1 CA-C-N 107.62 -4.355 . . . . 0.0 108.231 162.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.1 mt -123.28 133.66 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.437 1 O-C-N 134.729 7.518 . . . . 0.0 105.803 -176.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -114.73 112.23 22.5 Favored 'General case' 0 CA--C 1.603 2.996 0 N-CA-C 100.352 -3.944 . . . . 0.0 100.352 -165.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.33 118.57 19.6 Favored 'General case' 0 CA--C 1.622 3.731 1 N-CA-C 99.99 -4.078 . . . . 0.0 99.99 -177.044 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.25 45.8 tttt -102.15 174.51 5.89 Favored 'General case' 0 CA--C 1.569 1.702 0 C-N-CA 131.08 3.752 . . . . 0.0 112.277 175.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.268 4.2 p-10 -53.83 45.06 0.0 OUTLIER 'General case' 0 CA--C 1.623 3.76 0 N-CA-C 120.153 3.39 . . . . 0.0 120.153 151.086 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -173.67 47.1 0.15 Allowed Glycine 1 CA--C 1.601 5.418 0 C-N-CA 125.627 1.584 . . . . 0.0 115.684 176.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.354 9.9 mptt 51.2 -167.42 0.04 OUTLIER 'General case' 0 CA--C 1.596 2.728 0 C-N-CA 127.04 2.136 . . . . 0.0 110.755 -169.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.1 tp -53.46 109.94 0.5 Allowed 'General case' 0 N--CA 1.51 2.575 0 O-C-N 117.764 -3.085 . . . . 0.0 111.698 175.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.53 26.2 m -77.44 -53.13 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.614 0 CA-C-N 108.688 -3.869 . . . . 0.0 112.456 167.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -166.15 172.05 11.67 Favored 'General case' 1 N--CA 1.557 4.893 0 O-C-N 117.684 -3.135 . . . . 0.0 108.659 -172.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -161.97 136.87 7.11 Favored 'General case' 0 CA--C 1.615 3.479 0 CA-C-N 112.215 -2.266 . . . . 0.0 110.475 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 92.7 m -144.31 159.49 42.61 Favored 'General case' 0 CA--C 1.601 2.94 0 C-N-CA 127.13 2.172 . . . . 0.0 107.514 -176.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.324 0.2 OUTLIER -151.72 106.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 100.797 -3.779 . . . . 0.0 100.797 -164.392 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -176.5 -163.45 28.91 Favored Glycine 1 CA--C 1.591 4.799 1 CA-C-O 128.656 4.476 . . . . 0.0 105.93 172.532 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.97 93.8 1.78 Allowed 'General case' 0 CA--C 1.566 1.579 1 CA-C-N 107.368 -4.416 . . . . 0.0 109.353 -176.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -156.06 116.06 3.65 Favored 'General case' 0 C--O 1.182 -2.471 0 CA-C-O 126.601 3.096 . . . . 0.0 106.594 -167.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.291 56.5 pttt -50.77 -51.53 49.54 Favored 'General case' 0 N--CA 1.52 3.042 0 CA-C-N 108.966 -3.743 . . . . 0.0 118.51 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.35 -44.38 25.26 Favored 'General case' 0 C--O 1.289 3.177 0 C-N-CA 125.602 1.561 . . . . 0.0 115.168 170.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -44.66 -56.53 5.64 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 120.244 2.858 . . . . 0.0 120.244 175.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.302 60.9 tp -53.67 -53.23 59.6 Favored Pre-proline 0 CA--C 1.592 2.575 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 174.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -49.01 -48.74 17.21 Favored 'Trans proline' 1 CA--C 1.608 4.183 0 CA-C-N 123.622 2.329 . . . . 0.0 117.604 159.279 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.334 31.8 m -54.29 -60.5 3.25 Favored 'General case' 0 N--CA 1.532 3.672 0 C-N-CA 124.4 1.08 . . . . 0.0 109.812 -179.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 27.1 tp -50.78 -56.88 10.02 Favored 'General case' 0 CA--C 1.62 3.652 0 C-N-CA 126.573 1.949 . . . . 0.0 114.467 173.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.4 t -55.13 -46.16 77.48 Favored 'Isoleucine or valine' 1 N--CA 1.547 4.415 0 CA-C-O 116.097 -1.906 . . . . 0.0 115.746 171.295 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.53 -57.52 6.04 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 168.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -53.97 -36.57 63.02 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 117.788 2.514 . . . . 0.0 117.788 169.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.26 7.6 m-70 -65.15 -59.55 3.98 Favored 'General case' 0 C--N 1.379 1.853 0 O-C-N 117.395 -3.316 . . . . 0.0 115.288 170.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.601 2.931 0 N-CA-C 116.148 1.907 . . . . 0.0 116.148 170.86 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 . . . . . 0 N--CA 1.539 3.998 0 CA-C-O 124.588 2.137 . . . . 0.0 115.44 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.64 -163.26 10.77 Favored Glycine 0 CA--C 1.557 2.657 2 N-CA-C 99.715 -5.354 . . . . 0.0 99.715 -173.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -152.36 150.58 29.86 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 118.688 -2.654 . . . . 0.0 107.128 -165.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.76 123.44 68.27 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.438 0 CA-C-N 109.534 -3.484 . . . . 0.0 104.364 174.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.52 129.9 64.72 Favored 'Isoleucine or valine' 1 CA--C 1.629 4.006 0 C-N-CA 127.918 2.487 . . . . 0.0 110.649 -175.263 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.27 118.22 13.78 Favored 'General case' 0 CA--C 1.581 2.164 0 N-CA-C 118.17 2.656 . . . . 0.0 118.17 174.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 73.0 m -122.6 135.03 54.51 Favored 'General case' 0 CA--C 1.609 3.214 1 C-N-CA 131.745 4.018 . . . . 0.0 108.793 -167.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -142.67 -24.8 0.64 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 119.454 3.131 . . . . 0.0 119.454 -166.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.7 p -147.86 -166.63 2.58 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.031 -1.668 . . . . 0.0 109.963 -160.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.8 p -57.92 -24.73 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.744 0 CA-C-O 126.04 2.829 . . . . 0.0 116.873 166.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -49.22 -35.84 18.4 Favored 'General case' 0 CA--C 1.581 2.159 1 O-C-N 116.257 -4.027 . . . . 0.0 121.226 166.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.373 0.6 OUTLIER -61.29 -44.34 97.38 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 160.612 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -44.77 -51.39 9.43 Favored 'General case' 0 N--CA 1.527 3.403 0 N-CA-C 117.819 2.526 . . . . 0.0 117.819 168.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -56.44 -39.02 72.43 Favored 'General case' 0 CA--C 1.606 3.119 0 N-CA-C 116.749 2.129 . . . . 0.0 116.749 164.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -73.97 -64.14 1.07 Allowed 'General case' 0 C--O 1.214 -0.786 0 C-N-CA 126.066 1.746 . . . . 0.0 111.526 174.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -49.58 -60.26 3.02 Favored 'General case' 0 N--CA 1.493 1.705 1 N-CA-C 122.434 4.235 . . . . 0.0 122.434 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -55.39 20.46 Favored 'General case' 0 CA--C 1.598 2.82 0 N-CA-C 118.39 2.737 . . . . 0.0 118.39 173.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.592 1.1 mm-40 -61.0 -43.13 99.33 Favored 'General case' 0 N--CA 1.522 3.134 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 175.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.423 31.9 mmtp -59.28 -63.3 1.35 Allowed 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 119.953 3.316 . . . . 0.0 119.953 162.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.76 -68.34 1.15 Allowed Glycine 1 CA--C 1.606 5.733 0 CA-C-N 113.287 -1.779 . . . . 0.0 116.69 177.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm -83.83 88.14 7.1 Favored 'General case' 0 C--O 1.276 2.486 0 CA-C-N 113.284 -1.458 . . . . 0.0 110.518 157.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.26 -35.42 0.17 Allowed Glycine 0 CA--C 1.554 2.51 0 CA-C-N 108.928 -3.76 . . . . 0.0 117.75 169.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.9 m -120.01 139.55 52.33 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 129.919 3.288 . . . . 0.0 104.969 -168.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -72.63 80.4 1.1 Allowed 'General case' 0 N--CA 1.518 2.928 0 CA-C-N 112.041 -2.345 . . . . 0.0 110.644 165.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -167.51 163.68 14.79 Favored 'General case' 0 C--N 1.395 2.584 0 C-N-CA 128.755 2.822 . . . . 0.0 110.532 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 35.6 tp -86.22 142.38 28.63 Favored 'General case' 0 CA--C 1.585 2.303 0 C-N-CA 127.983 2.513 . . . . 0.0 109.154 161.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.292 0.9 OUTLIER -145.17 126.67 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.615 0 N-CA-C 102.241 -3.244 . . . . 0.0 102.241 -172.425 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 t -129.46 151.79 36.33 Favored 'Isoleucine or valine' 0 C--O 1.259 1.579 0 C-N-CA 130.775 3.63 . . . . 0.0 114.867 -169.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 p -156.36 122.11 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 C-N-CA 126.331 1.852 . . . . 0.0 108.053 -170.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -81.87 108.31 15.29 Favored 'General case' 0 CA--C 1.607 3.168 0 CA-C-N 111.807 -2.451 . . . . 0.0 116.419 157.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -85.43 102.42 13.43 Favored 'General case' 0 CA--C 1.594 2.651 0 C-N-CA 129.284 3.034 . . . . 0.0 105.012 168.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.8 t -151.22 144.71 24.9 Favored 'General case' 0 N--CA 1.515 2.804 0 N-CA-C 103.319 -2.845 . . . . 0.0 103.319 -168.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.262 . . -73.22 151.26 41.51 Favored 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 111.404 -2.635 . . . . 0.0 115.633 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.9 t -56.39 -39.87 73.67 Favored 'General case' 0 N--CA 1.52 3.061 0 O-C-N 117.596 -3.19 . . . . 0.0 118.297 154.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 61.5 p-90 -66.95 61.09 0.05 OUTLIER 'General case' 0 N--CA 1.503 2.206 0 C-N-CA 127.701 2.4 . . . . 0.0 114.476 161.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 28.6 t -156.38 79.96 3.85 Favored Pre-proline 0 C--N 1.406 3.047 0 CA-C-N 112.303 -2.226 . . . . 0.0 110.427 -172.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -52.63 -48.56 21.34 Favored 'Trans proline' 0 N--CA 1.513 2.674 1 C-N-CA 128.904 6.402 . . . . 0.0 114.496 161.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.298 71.9 Cg_exo -44.43 -50.85 7.59 Favored 'Trans proline' 0 C--N 1.39 2.735 0 C-N-CA 124.54 3.493 . . . . 0.0 118.573 168.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 38' ' ' CYS 0.347 5.6 m -71.39 -22.06 61.93 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 121.35 3.833 . . . . 0.0 121.35 166.202 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.29 56.8 tttp -63.0 -34.63 77.97 Favored 'General case' 0 CA--C 1.587 2.397 0 CA-C-N 120.376 1.444 . . . . 0.0 113.723 163.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.312 4.3 ptt? -67.92 -49.71 60.26 Favored 'General case' 1 N--CA 1.589 6.484 0 O-C-N 117.718 -3.114 . . . . 0.0 116.991 155.257 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.409 1.0 OUTLIER -50.73 -36.7 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.166 0 N-CA-C 118.392 2.738 . . . . 0.0 118.392 171.791 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.358 . . -44.68 -67.45 0.36 Allowed Pre-proline 0 N--CA 1.523 3.198 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 167.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -43.34 -43.03 10.56 Favored 'Trans proline' 0 C--O 1.252 1.22 1 N-CA-C 124.302 4.693 . . . . 0.0 124.302 156.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.276 38.4 mm -53.18 -63.87 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.604 3.023 0 O-C-N 118.564 -2.585 . . . . 0.0 113.855 167.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -51.33 -27.98 11.05 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 115.69 -2.1 . . . . 0.0 113.224 171.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.14 -48.77 50.1 Favored 'General case' 0 CA--C 1.581 2.166 0 C-N-CA 129.768 3.227 . . . . 0.0 114.663 164.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.279 3.7 tm-20 -49.43 -57.22 7.36 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-N 123.215 2.734 . . . . 0.0 114.404 166.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.417 HD22 ' O ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -49.87 -48.58 51.25 Favored 'General case' 0 N--CA 1.428 -1.562 0 CA-C-O 115.262 -2.304 . . . . 0.0 116.231 166.257 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.65 -48.99 28.53 Favored 'General case' 0 CA--C 1.581 2.16 0 N-CA-C 120.263 3.431 . . . . 0.0 120.263 167.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -56.13 -44.57 79.3 Favored 'General case' 0 N--CA 1.508 2.464 0 CA-C-O 115.606 -2.14 . . . . 0.0 115.188 166.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -54.57 -27.27 37.63 Favored 'General case' 1 CA--C 1.646 4.667 0 N-CA-C 119.734 3.235 . . . . 0.0 119.734 169.046 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -136.2 78.64 45.58 Favored Pre-proline 0 CA--C 1.556 1.18 0 CA-C-N 111.031 -2.804 . . . . 0.0 107.891 -159.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.251 18.5 Cg_endo -63.51 -19.89 68.64 Favored 'Trans proline' 0 CA--C 1.594 3.522 2 C-N-CA 127.913 5.742 . . . . 0.0 126.262 163.255 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.333 8.3 p30 -65.07 -4.54 4.91 Favored 'General case' 0 N--CA 1.531 3.601 0 C-N-CA 127.16 2.184 . . . . 0.0 116.63 173.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 28' ' ' LEU 0.414 3.4 p -145.89 110.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.417 3.515 0 CA-C-N 114.398 -1.274 . . . . 0.0 109.542 -154.035 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.2 m -67.47 154.49 41.26 Favored 'General case' 0 CA--C 1.578 2.03 0 O-C-N 118.555 -2.59 . . . . 0.0 112.808 160.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -139.0 130.33 26.95 Favored 'General case' 0 C--O 1.267 2.022 1 C-N-CA 131.97 4.108 . . . . 0.0 115.704 178.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.38 0.7 OUTLIER -137.29 157.46 46.57 Favored 'General case' 0 CA--C 1.582 2.173 0 C-N-CA 127.342 2.257 . . . . 0.0 109.891 -170.724 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -153.58 104.73 2.75 Favored 'General case' 0 N--CA 1.504 2.264 1 CA-C-O 128.613 4.054 . . . . 0.0 102.094 -163.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.8 t -80.34 115.49 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.189 1 CA-C-N 107.617 -4.356 . . . . 0.0 111.609 172.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -67.83 105.9 2.11 Favored 'General case' 0 N--CA 1.524 3.252 0 CA-C-O 123.334 1.54 . . . . 0.0 107.871 148.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.387 0.3 OUTLIER -63.83 -14.31 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.218 1 N-CA-C 122.169 4.137 . . . . 0.0 122.169 176.211 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -51.78 -58.7 5.66 Favored 'General case' 0 C--O 1.201 -1.489 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 166.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -64.51 -19.54 65.66 Favored 'General case' 0 CA--C 1.616 3.49 0 CA-C-O 113.989 -2.91 . . . . 0.0 117.141 169.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.5 mt -145.92 40.31 1.16 Allowed 'General case' 0 CA--C 1.582 2.189 0 C-N-CA 127.112 2.165 . . . . 0.0 113.501 -158.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.303 25.5 pttm -63.58 -54.66 32.58 Favored 'General case' 0 CA--C 1.597 2.757 0 C-N-CA 126.931 2.092 . . . . 0.0 116.442 163.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.02 -57.11 2.11 Favored 'General case' 1 N--CA 1.551 4.576 0 O-C-N 117.32 -3.362 . . . . 0.0 112.575 178.372 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.432 ' HA ' ' HG2' ' A' ' 74' ' ' GLU 0.263 9.9 p -61.42 -48.83 87.06 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.247 0 C-N-CA 128.694 2.798 . . . . 0.0 115.325 170.059 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.46 -55.97 2.66 Favored 'General case' 0 N--CA 1.511 2.608 0 N-CA-C 116.777 2.14 . . . . 0.0 116.777 170.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -59.68 -52.97 63.21 Favored 'General case' 0 CA--C 1.588 2.418 0 CA-C-N 111.706 -2.497 . . . . 0.0 111.287 173.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.432 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 2.0 pt-20 -52.1 -50.72 61.06 Favored 'General case' 0 N--CA 1.531 3.577 0 CA-C-N 123.243 2.747 . . . . 0.0 115.453 177.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.333 5.7 m95 -57.37 -45.67 84.2 Favored 'General case' 0 C--N 1.385 2.144 0 CA-C-N 125.079 3.581 . . . . 0.0 116.951 167.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.2 t30 148.04 90.65 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.08 0 O-C-N 126.349 2.281 . . . . 0.0 105.818 147.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.3 t -146.9 85.17 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 CA-C-O 125.74 2.686 . . . . 0.0 105.49 -170.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.74 3.36 19.61 Favored 'General case' 0 N--CA 1.513 2.718 0 N-CA-C 119.207 3.04 . . . . 0.0 119.207 156.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -160.12 129.63 5.18 Favored 'General case' 0 C--N 1.395 2.568 0 CA-C-O 122.758 1.266 . . . . 0.0 114.022 -169.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . 0.317 0.0 OUTLIER -62.65 116.57 24.42 Favored Pre-proline 0 CA--C 1.612 3.358 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.492 154.896 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -151.58 143.69 0.0 OUTLIER 'Cis proline' 2 CA--C 1.617 4.627 1 N-CA-C 127.848 6.057 . . . . 0.0 127.848 -4.497 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.8 m -133.33 125.77 29.94 Favored 'General case' 0 C--O 1.256 1.417 0 CA-C-O 125.774 2.702 . . . . 0.0 108.311 -136.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -104.02 130.86 51.7 Favored 'General case' 0 CA--C 1.583 2.218 1 CA-C-N 106.485 -4.87 . . . . 0.0 104.305 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -134.72 143.38 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.635 0 N-CA-C 102.16 -3.274 . . . . 0.0 102.16 -166.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -137.2 116.61 12.76 Favored 'General case' 0 CA--C 1.594 2.668 0 N-CA-C 100.442 -3.91 . . . . 0.0 100.442 -153.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.267 0.2 OUTLIER -128.37 128.63 44.89 Favored 'General case' 0 N--CA 1.511 2.591 0 C-N-CA 129.685 3.194 . . . . 0.0 103.695 -176.094 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -96.89 165.21 12.2 Favored 'General case' 0 C--O 1.194 -1.825 0 CA-C-N 109.148 -3.66 . . . . 0.0 113.148 174.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.253 3.5 p30 -63.9 52.33 0.02 OUTLIER 'General case' 1 N--CA 1.54 4.064 0 O-C-N 119.626 -1.921 . . . . 0.0 114.279 143.827 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -177.08 35.29 0.08 OUTLIER Glycine 0 CA--C 1.575 3.837 0 C-N-CA 128.781 3.086 . . . . 0.0 116.189 174.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.4 mptt 71.54 176.11 0.28 Allowed 'General case' 2 N--CA 1.554 4.774 0 C-N-CA 128.329 2.652 . . . . 0.0 111.189 -177.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . 0.258 19.4 tp -45.94 98.21 0.01 OUTLIER 'General case' 0 C--O 1.29 3.236 1 O-C-N 129.179 4.049 . . . . 0.0 112.197 175.473 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.385 12.0 m -70.9 -71.53 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.266 1.95 0 C-N-CA 126.995 2.118 . . . . 0.0 112.456 172.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . 0.267 5.2 t70 -153.41 177.52 10.81 Favored 'General case' 0 CA--C 1.566 1.593 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -163.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.9 pttm -164.17 159.35 20.13 Favored 'General case' 1 N--CA 1.541 4.12 0 C-N-CA 126.053 1.741 . . . . 0.0 112.557 -174.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 37.9 m -160.72 133.14 6.15 Favored 'General case' 0 CA--C 1.562 1.417 0 N-CA-C 103.024 -2.954 . . . . 0.0 103.024 -177.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.32 1.8 p -113.03 98.45 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.628 3.959 0 C-N-CA 129.675 3.19 . . . . 0.0 108.015 -174.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -176.42 -161.68 25.83 Favored Glycine 1 N--CA 1.534 5.22 0 CA-C-O 123.992 1.885 . . . . 0.0 113.45 172.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -163.16 101.96 0.97 Allowed 'General case' 0 N--CA 1.532 3.635 0 CA-C-N 112.719 -1.741 . . . . 0.0 108.25 -174.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -156.82 128.55 7.16 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 127.548 3.03 . . . . 0.0 106.357 -168.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -56.34 -61.33 2.47 Favored 'General case' 0 CA--C 1.597 2.751 0 C-N-CA 128.447 2.699 . . . . 0.0 116.779 -174.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -71.67 -44.44 64.27 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 118.701 2.852 . . . . 0.0 118.701 157.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -35.83 -53.61 1.14 Allowed Glycine 2 CA--C 1.604 5.627 0 N-CA-C 121.289 3.276 . . . . 0.0 121.289 172.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.293 13.5 tp -60.39 -56.58 33.92 Favored Pre-proline 0 CA--C 1.563 1.46 1 CA-C-O 111.568 -4.063 . . . . 0.0 112.494 168.779 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -48.49 -32.85 21.71 Favored 'Trans proline' 1 CA--C 1.619 4.743 2 CA-C-N 129.892 4.569 . . . . 0.0 117.829 165.841 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 49.1 m -60.81 -62.69 1.68 Allowed 'General case' 0 N--CA 1.519 2.986 0 C-N-CA 125.467 1.507 . . . . 0.0 112.458 172.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.3 tp -51.51 -59.65 4.02 Favored 'General case' 0 CA--C 1.563 1.459 1 O-C-N 129.908 4.505 . . . . 0.0 116.242 175.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.259 91.9 t -48.68 -50.7 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.539 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 167.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.68 -54.06 20.83 Favored 'General case' 0 N--CA 1.51 2.541 0 CA-C-O 123.411 1.577 . . . . 0.0 111.573 174.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . 0.339 88.5 mttt -49.81 -50.13 46.16 Favored 'General case' 0 C--O 1.2 -1.538 0 N-CA-C 120.224 3.416 . . . . 0.0 120.224 166.282 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -61.95 -46.89 87.29 Favored 'General case' 0 CA--C 1.605 3.059 0 N-CA-C 118.543 2.794 . . . . 0.0 118.543 172.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.611 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 176.797 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.278 2.56 0 CA-C-O 126.037 2.827 . . . . 0.0 116.193 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.11 -166.66 18.6 Favored Glycine 0 C--O 1.253 1.295 0 CA-C-N 112.5 -2.136 . . . . 0.0 112.303 151.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -149.01 110.58 4.49 Favored 'General case' 0 N--CA 1.503 2.204 0 C-N-CA 125.445 1.498 . . . . 0.0 107.3 -169.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.3 t -85.95 112.56 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 C-N-CA 128.324 2.65 . . . . 0.0 108.614 173.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.58 128.03 50.58 Favored 'Isoleucine or valine' 1 CA--C 1.632 4.103 0 O-C-N 117.816 -3.053 . . . . 0.0 106.794 -162.411 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.17 145.28 47.56 Favored 'General case' 0 CA--C 1.581 2.165 0 C-N-CA 126.124 1.77 . . . . 0.0 115.285 166.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.558 ' SG ' ' HB2' ' A' ' 61' ' ' LEU . 96.6 m -150.51 141.88 23.34 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 103.113 -2.921 . . . . 0.0 103.113 -167.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -147.64 -15.17 0.38 Allowed 'General case' 0 CA--C 1.602 2.981 0 N-CA-C 118.074 2.62 . . . . 0.0 118.074 -168.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.1 p -146.08 -173.97 4.31 Favored 'General case' 0 CA--C 1.596 2.723 0 O-C-N 118.311 -2.743 . . . . 0.0 109.706 -154.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.17 -13.52 12.56 Favored 'Isoleucine or valine' 0 CA--C 1.62 3.655 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 160.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.273 18.1 m-20 -60.76 -39.9 90.48 Favored 'General case' 0 CA--C 1.578 2.024 0 N-CA-C 118.063 2.616 . . . . 0.0 118.063 169.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.89 -38.45 90.95 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 118.87 2.915 . . . . 0.0 118.87 163.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -47.6 -53.85 13.51 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-O 116.861 -1.542 . . . . 0.0 113.39 160.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -50.49 -33.82 22.76 Favored 'General case' 0 CA--C 1.608 3.2 0 N-CA-C 121.163 3.764 . . . . 0.0 121.163 164.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -76.28 -58.16 3.44 Favored 'General case' 0 CA--C 1.583 2.242 0 C-N-CA 130.706 3.602 . . . . 0.0 115.713 173.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.325 1.8 t-80 -51.75 -62.03 1.88 Allowed 'General case' 0 CA--C 1.571 1.785 0 O-C-N 127.122 2.764 . . . . 0.0 115.689 176.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -67.28 -55.89 12.06 Favored 'General case' 0 CA--C 1.577 1.986 0 O-C-N 127.596 3.06 . . . . 0.0 117.373 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -58.39 -48.89 79.18 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 123.647 2.93 . . . . 0.0 117.122 170.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -53.76 -61.66 2.16 Favored 'General case' 0 N--CA 1.525 3.303 0 O-C-N 118.652 -2.53 . . . . 0.0 115.822 161.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.92 -86.94 0.01 OUTLIER Glycine 0 C--N 1.377 2.848 0 N-CA-C 118.534 2.173 . . . . 0.0 118.534 174.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.69 97.98 3.34 Favored 'General case' 0 CA--C 1.579 2.058 0 O-C-N 127.127 2.31 . . . . 0.0 110.551 157.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.38 -58.96 0.13 Allowed Glycine 0 N--CA 1.488 2.163 0 CA-C-N 111.789 -2.46 . . . . 0.0 107.263 173.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.252 56.0 m -116.24 135.21 54.1 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 130.126 3.371 . . . . 0.0 111.424 -178.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -57.57 77.99 0.01 OUTLIER 'General case' 0 C--N 1.409 3.168 0 C-N-CA 127.984 2.514 . . . . 0.0 111.332 171.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -156.12 145.93 21.15 Favored 'General case' 0 C--O 1.273 2.331 0 C-N-CA 126.428 1.891 . . . . 0.0 108.952 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 20.0 tp -71.28 153.49 42.36 Favored 'General case' 0 CA--C 1.608 3.182 0 CA-C-O 125.288 2.47 . . . . 0.0 110.815 156.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.326 1.5 pp -149.28 126.41 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.911 0 N-CA-C 102.632 -3.099 . . . . 0.0 102.632 -175.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -136.03 112.09 12.52 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.895 0 C-N-CA 128.829 2.852 . . . . 0.0 103.755 -156.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.305 0.4 OUTLIER -130.07 101.93 6.52 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.31 0 CA-C-N 111.695 -2.502 . . . . 0.0 105.97 -156.727 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -65.66 150.67 48.09 Favored 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 130.316 3.446 . . . . 0.0 110.969 168.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -147.19 96.02 2.65 Favored 'General case' 0 C--O 1.283 2.818 1 N-CA-C 99.844 -4.132 . . . . 0.0 99.844 -174.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.491 ' HG1' ' HG ' ' A' ' 41' ' ' CYS . 14.9 t -145.53 154.54 42.3 Favored 'General case' 1 N--CA 1.541 4.097 0 CA-C-O 127.206 3.384 . . . . 0.0 103.469 -173.14 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.42 145.62 25.21 Favored 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 130.005 3.322 . . . . 0.0 110.999 169.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.8 t -54.63 -38.5 66.91 Favored 'General case' 0 C--O 1.204 -1.323 0 O-C-N 128.966 3.916 . . . . 0.0 118.309 168.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 28.2 p-90 -66.78 78.76 0.12 Allowed 'General case' 0 CA--C 1.58 2.121 0 N-CA-C 117.083 2.253 . . . . 0.0 117.083 162.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.8 t -167.02 89.78 0.75 Allowed Pre-proline 0 C--O 1.267 2.013 0 CA-C-O 117.049 -1.453 . . . . 0.0 110.697 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -48.82 -43.15 35.78 Favored 'Trans proline' 0 CA--C 1.599 3.752 0 N-CA-C 118.029 2.28 . . . . 0.0 118.029 161.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.376 25.8 Cg_exo -40.64 -59.21 0.8 Allowed 'Trans proline' 0 C--N 1.393 2.911 1 N-CA-C 123.05 4.212 . . . . 0.0 123.05 164.426 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.491 ' HG ' ' HG1' ' A' ' 34' ' ' THR . 0.9 OUTLIER -71.35 -14.9 62.34 Favored 'General case' 0 CA--C 1.583 2.214 0 N-CA-C 120.443 3.497 . . . . 0.0 120.443 163.474 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.32 20.8 tttp -57.9 -41.45 82.63 Favored 'General case' 0 CA--C 1.602 2.946 0 N-CA-C 121.344 3.831 . . . . 0.0 121.344 154.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.353 16.6 ptt? -67.82 -40.8 83.78 Favored 'General case' 0 N--CA 1.535 3.812 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 159.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.466 0.9 OUTLIER -56.83 -44.01 81.1 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.2 0 N-CA-C 117.364 2.357 . . . . 0.0 117.364 169.761 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.39 . . -41.29 -60.15 1.92 Allowed Pre-proline 0 N--CA 1.52 3.054 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 170.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -46.54 -47.21 16.02 Favored 'Trans proline' 0 CA--C 1.549 1.236 1 C-N-CA 125.883 4.388 . . . . 0.0 119.465 161.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.371 44.9 mm -54.76 -42.54 62.5 Favored 'Isoleucine or valine' 0 C--N 1.402 2.89 0 C-N-CA 126.516 1.926 . . . . 0.0 115.498 172.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -36.68 82.31 Favored 'General case' 0 N--CA 1.532 3.675 0 C-N-CA 129.757 3.223 . . . . 0.0 113.535 171.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.463 . . -62.3 -52.75 62.42 Favored 'General case' 0 CA--C 1.576 1.942 0 N-CA-C 121.384 3.846 . . . . 0.0 121.384 165.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.6 -57.2 8.75 Favored 'General case' 0 C--O 1.257 1.471 0 N-CA-C 117.263 2.319 . . . . 0.0 117.263 162.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.435 HD11 HG11 ' A' ' 107' ' ' VAL 0.339 1.5 tm? -48.74 -45.55 39.78 Favored 'General case' 0 CA--C 1.595 2.675 0 N-CA-C 117.898 2.555 . . . . 0.0 117.898 165.038 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.26 -41.62 50.65 Favored 'General case' 0 CA--C 1.594 2.652 0 CA-C-N 122.667 2.485 . . . . 0.0 117.388 168.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -63.99 -38.56 91.52 Favored 'General case' 0 CA--C 1.58 2.104 0 C-N-CA 128.902 2.881 . . . . 0.0 116.821 169.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -61.16 -38.16 85.47 Favored 'General case' 0 CA--C 1.598 2.808 0 N-CA-C 119.578 3.177 . . . . 0.0 119.578 167.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -129.39 78.35 75.91 Favored Pre-proline 1 CA--C 1.655 5.0 0 CA-C-N 111.557 -2.565 . . . . 0.0 116.093 -156.389 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -60.37 -20.34 62.67 Favored 'Trans proline' 1 CA--C 1.66 6.808 2 N-CA-C 129.056 6.522 . . . . 0.0 129.056 179.196 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.259 9.8 p30 -81.57 16.07 1.87 Allowed 'General case' 0 C--O 1.187 -2.201 0 C-N-CA 129.967 3.307 . . . . 0.0 118.402 175.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 28' ' ' LEU 0.469 4.3 p -151.64 118.08 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 120.151 -1.593 . . . . 0.0 109.522 -160.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.3 m -85.52 158.52 20.14 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 125.216 2.436 . . . . 0.0 105.497 172.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -150.61 124.83 9.42 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-O 124.763 2.221 . . . . 0.0 108.314 -164.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.558 ' HB2' ' SG ' ' A' ' 9' ' ' CYS 0.417 1.6 pp -146.27 156.15 43.17 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 125.826 2.727 . . . . 0.0 108.236 -170.238 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -146.25 108.94 4.52 Favored 'General case' 0 N--CA 1.507 2.404 0 CA-C-O 124.449 2.071 . . . . 0.0 108.86 -168.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.459 HG13 HD12 ' A' ' 68' ' ' LEU . 66.3 t -83.15 120.57 34.69 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.097 0 CA-C-N 110.61 -2.995 . . . . 0.0 107.284 177.398 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -70.97 106.81 3.79 Favored 'General case' 0 CA--C 1.586 2.347 0 CA-C-N 110.727 -2.942 . . . . 0.0 109.639 159.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.504 HG11 ' SD ' ' A' ' 80' ' ' MET 0.468 0.3 OUTLIER -55.23 -37.68 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 N-CA-C 119.552 3.167 . . . . 0.0 119.552 -179.641 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.77 -40.09 72.15 Favored 'General case' 0 C--O 1.246 0.896 0 C-N-CA 127.51 2.324 . . . . 0.0 112.777 175.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.8 -37.55 87.15 Favored 'General case' 0 C--N 1.365 1.242 0 N-CA-C 121.401 3.852 . . . . 0.0 121.401 165.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.459 HD12 HG13 ' A' ' 63' ' ' VAL . 38.3 mt -148.32 43.4 1.03 Allowed 'General case' 0 CA--C 1.601 2.925 0 CA-C-O 126.291 2.948 . . . . 0.0 116.535 -162.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -63.49 -46.51 85.82 Favored 'General case' 0 C--O 1.261 1.671 0 CA-C-N 110.421 -3.081 . . . . 0.0 117.937 171.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.14 -62.02 1.76 Allowed 'General case' 0 CA--C 1.599 2.863 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 174.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.365 5.5 p -50.74 -55.08 7.64 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.811 0 N-CA-C 119.406 3.113 . . . . 0.0 119.406 166.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.84 -56.7 10.96 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 113.762 -1.563 . . . . 0.0 113.631 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -54.73 -43.52 72.71 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 112.211 -2.268 . . . . 0.0 111.205 172.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.543 0.0 OUTLIER -41.78 -59.18 1.75 Allowed 'General case' 1 N--CA 1.542 4.156 0 N-CA-C 120.514 3.524 . . . . 0.0 120.514 168.557 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.348 10.0 m95 -53.31 -52.13 60.11 Favored 'General case' 0 CA--C 1.584 2.283 0 O-C-N 126.371 2.295 . . . . 0.0 115.22 166.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 23.7 t30 150.46 77.0 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 131.026 3.73 . . . . 0.0 107.962 151.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . 0.478 39.0 t -98.42 83.35 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.605 3.093 0 C-N-CA 129.314 3.046 . . . . 0.0 111.8 171.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.295 0.0 OUTLIER -63.01 -37.2 86.25 Favored 'General case' 0 N--CA 1.506 2.345 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 160.339 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.59 153.67 42.03 Favored 'General case' 0 C--O 1.258 1.507 0 CA-C-O 126.443 3.021 . . . . 0.0 110.01 -158.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.504 ' SD ' HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -73.61 109.65 7.08 Favored Pre-proline 0 C--N 1.385 2.125 1 CA-C-N 107.606 -4.361 . . . . 0.0 108.702 143.948 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.432 ' HG3' ' SG ' ' A' ' 41' ' ' CYS 0.286 58.8 Cg_endo -153.41 137.15 0.0 OUTLIER 'Cis proline' 0 CA--C 1.592 3.403 0 CA-C-O 129.602 3.918 . . . . 0.0 120.935 -5.164 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 m -101.07 135.56 42.33 Favored 'General case' 1 CA--C 1.661 5.233 2 C-N-CA 132.924 4.49 . . . . 0.0 104.077 -159.601 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -123.21 137.59 54.85 Favored 'General case' 0 C--N 1.399 2.738 0 CA-C-N 108.99 -3.732 . . . . 0.0 103.612 171.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.32 145.55 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 1 CA-C-N 107.948 -4.206 . . . . 0.0 106.982 -167.225 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -134.72 114.42 12.66 Favored 'General case' 0 N--CA 1.522 3.14 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 -154.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.84 120.77 24.18 Favored 'General case' 0 CA--C 1.609 3.242 1 N-CA-C 96.813 -5.255 . . . . 0.0 96.813 -171.803 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.335 50.9 tptt -101.2 177.9 4.81 Favored 'General case' 0 C--O 1.289 3.168 0 C-N-CA 127.526 2.331 . . . . 0.0 113.92 170.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -59.09 37.08 0.01 OUTLIER 'General case' 1 CA--C 1.653 4.937 0 N-CA-C 120.722 3.601 . . . . 0.0 120.722 147.072 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -159.46 35.31 0.47 Allowed Glycine 0 C--O 1.19 -2.629 0 N-CA-C 118.909 2.324 . . . . 0.0 118.909 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.28 7.8 mptt 68.82 -164.43 0.19 Allowed 'General case' 0 CA--C 1.583 2.218 0 C-N-CA 127.351 2.26 . . . . 0.0 111.244 -169.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.9 tp -69.97 95.9 0.99 Allowed 'General case' 0 C--N 1.398 2.679 0 C-N-CA 129.754 3.222 . . . . 0.0 111.837 173.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.263 20.4 m -70.15 -51.54 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.94 0 O-C-N 119.544 -1.972 . . . . 0.0 114.36 174.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -152.97 163.61 39.5 Favored 'General case' 0 CA--C 1.587 2.367 0 O-C-N 118.96 -2.338 . . . . 0.0 114.853 -161.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -163.18 123.11 2.22 Favored 'General case' 0 CA--C 1.587 2.386 0 O-C-N 125.986 2.054 . . . . 0.0 112.248 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.8 m -149.65 142.5 24.73 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 104.69 -2.337 . . . . 0.0 104.69 -171.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 p -135.24 106.95 7.18 Favored 'Isoleucine or valine' 0 C--N 1.258 -3.374 0 N-CA-C 102.606 -3.109 . . . . 0.0 102.606 -161.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 176.1 -163.26 32.59 Favored Glycine 0 C--N 1.379 2.946 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 170.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . 0.348 . . -165.32 106.73 0.78 Allowed 'General case' 0 N--CA 1.537 3.888 0 CA-C-O 124.203 1.954 . . . . 0.0 109.933 -176.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -155.85 131.17 9.49 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 125.967 1.707 . . . . 0.0 109.589 -175.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.28 50.5 pttt -41.75 -62.67 0.85 Allowed 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 120.444 3.498 . . . . 0.0 120.444 177.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.267 2.5 p-10 -62.21 -50.27 72.44 Favored 'General case' 0 N--CA 1.527 3.421 0 N-CA-C 121.549 3.907 . . . . 0.0 121.549 158.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -38.14 -64.09 0.85 Allowed Glycine 0 CA--C 1.566 3.219 0 N-CA-C 118.528 2.171 . . . . 0.0 118.528 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.307 60.1 tp -53.56 -56.14 27.9 Favored Pre-proline 0 CA--C 1.588 2.438 0 N-CA-C 117.993 2.59 . . . . 0.0 117.993 172.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -40.46 -43.2 4.09 Favored 'Trans proline' 0 CA--C 1.585 3.028 1 C-N-CA 125.304 4.003 . . . . 0.0 121.331 164.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.297 93.3 m -68.47 -49.85 56.76 Favored 'General case' 0 CA--C 1.597 2.766 0 O-C-N 127.938 3.274 . . . . 0.0 118.307 173.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.9 tp -53.65 -47.42 70.36 Favored 'General case' 1 N--CA 1.543 4.214 0 N-CA-C 119.41 3.115 . . . . 0.0 119.41 166.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.435 HG11 HD11 ' A' ' 51' ' ' LEU 0.363 57.7 t -61.36 -56.36 18.38 Favored 'Isoleucine or valine' 0 C--N 1.386 2.185 0 C-N-CA 130.087 3.355 . . . . 0.0 115.693 173.483 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.12 -49.81 50.57 Favored 'General case' 0 CA--C 1.582 2.179 0 N-CA-C 118.04 2.607 . . . . 0.0 118.04 169.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -53.27 -37.99 62.65 Favored 'General case' 0 CA--C 1.616 3.488 0 CA-C-O 124.027 1.87 . . . . 0.0 114.366 168.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.522 80.7 m-70 -66.82 -52.65 41.34 Favored 'General case' 0 CA--C 1.577 2.007 1 N-CA-C 123.113 4.486 . . . . 0.0 123.113 167.679 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 119.565 3.172 . . . . 0.0 119.565 166.431 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.36 12.0 pt-20 . . . . . 0 CA--C 1.547 0.854 0 CA-C-O 121.861 0.839 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.99 165.79 37.62 Favored Glycine 1 CA--C 1.582 4.224 0 CA-C-N 111.998 -2.364 . . . . 0.0 114.638 155.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -152.51 117.4 5.12 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 123.897 1.808 . . . . 0.0 108.685 -164.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.4 t -84.48 118.42 31.65 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.705 0 C-N-CA 127.961 2.504 . . . . 0.0 106.312 174.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.274 0.3 OUTLIER -124.33 126.84 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.021 0 C-N-CA 131.022 3.729 . . . . 0.0 108.34 -175.83 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.76 142.82 58.0 Favored 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 121.393 3.849 . . . . 0.0 121.393 165.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.1 m -149.98 128.95 12.59 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 128.061 2.545 . . . . 0.0 108.783 -170.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -143.55 -17.04 0.63 Allowed 'General case' 0 CA--C 1.582 2.211 0 O-C-N 128.893 3.871 . . . . 0.0 115.928 -165.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.0 p -146.41 -175.56 4.83 Favored 'General case' 0 C--N 1.38 1.917 0 C-N-CA 127.741 2.416 . . . . 0.0 113.07 -160.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -52.75 -22.83 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.532 3.662 0 O-C-N 116.849 -3.657 . . . . 0.0 117.686 162.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.278 20.4 m-20 -44.56 -43.67 8.22 Favored 'General case' 0 N--CA 1.514 2.738 0 N-CA-C 118.475 2.768 . . . . 0.0 118.475 159.528 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.03 -28.3 68.76 Favored 'General case' 0 CA--C 1.578 2.02 0 N-CA-C 119.688 3.218 . . . . 0.0 119.688 163.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -56.65 -48.62 77.17 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 115.129 -2.367 . . . . 0.0 111.115 162.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.359 28.4 mtmt -55.98 -57.54 11.67 Favored 'General case' 0 N--CA 1.509 2.49 0 N-CA-C 118.414 2.746 . . . . 0.0 118.414 164.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -55.3 -65.36 0.6 Allowed 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 127.447 2.299 . . . . 0.0 114.549 177.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -50.0 -57.55 7.34 Favored 'General case' 0 N--CA 1.52 3.074 0 N-CA-C 117.333 2.345 . . . . 0.0 117.333 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.291 2.4 t80 -60.33 -62.77 1.62 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 127.763 3.164 . . . . 0.0 114.786 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.272 13.4 mm-40 -53.2 -50.27 65.03 Favored 'General case' 0 CA--C 1.598 2.805 0 N-CA-C 120.408 3.485 . . . . 0.0 120.408 174.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -58.29 -60.61 3.5 Favored 'General case' 0 CA--C 1.585 2.298 0 CA-C-O 123.882 1.801 . . . . 0.0 114.457 169.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.89 -88.38 0.01 OUTLIER Glycine 0 C--N 1.392 3.664 0 CA-C-N 113.315 -1.766 . . . . 0.0 112.791 176.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -71.74 97.75 1.83 Allowed 'General case' 0 N--CA 1.513 2.697 0 CA-C-N 113.954 -1.123 . . . . 0.0 111.883 158.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.66 -36.8 0.58 Allowed Glycine 0 CA--C 1.578 3.994 0 N-CA-C 118.042 1.977 . . . . 0.0 118.042 160.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.3 m -104.26 134.31 47.71 Favored 'General case' 0 CA--C 1.582 2.2 1 N-CA-C 99.912 -4.107 . . . . 0.0 99.912 176.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.313 8.1 mp0 -67.84 84.31 0.21 Allowed 'General case' 0 N--CA 1.509 2.512 0 CA-C-N 110.568 -3.014 . . . . 0.0 114.208 163.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -164.78 161.6 20.59 Favored 'General case' 0 CA--C 1.601 2.935 0 C-N-CA 128.706 2.802 . . . . 0.0 108.9 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 tp -95.46 144.37 26.02 Favored 'General case' 0 CA--C 1.57 1.718 2 O-C-N 129.716 4.385 . . . . 0.0 105.789 166.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.556 HG22 ' HB ' ' A' ' 59' ' ' THR 0.304 3.3 pt -138.11 144.47 30.61 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 CA-C-N 110.865 -2.88 . . . . 0.0 105.848 179.087 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.8 t -136.96 141.7 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.582 0 C-N-CA 128.853 2.861 . . . . 0.0 105.302 -169.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.439 2.6 p -144.01 106.35 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 127.105 2.162 . . . . 0.0 114.362 -168.529 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -65.04 151.04 47.01 Favored 'General case' 1 N--CA 1.552 4.632 0 CA-C-O 125.322 2.487 . . . . 0.0 113.44 152.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -141.17 99.63 3.62 Favored 'General case' 1 N--CA 1.563 5.182 1 N-CA-C 96.833 -5.247 . . . . 0.0 96.833 -173.496 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.0 t -148.92 140.16 23.17 Favored 'General case' 0 C--O 1.291 3.247 1 N-CA-C 99.678 -4.193 . . . . 0.0 99.678 -162.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.261 . . -78.39 154.38 30.77 Favored 'General case' 1 CA--C 1.65 4.811 0 C-N-CA 127.579 2.351 . . . . 0.0 108.68 167.389 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.251 0.2 OUTLIER -55.91 -48.89 74.85 Favored 'General case' 0 C--O 1.279 2.657 0 CA-C-O 124.774 2.226 . . . . 0.0 114.623 170.497 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 44.9 p-90 -66.66 86.53 0.12 Allowed 'General case' 0 CA--C 1.61 3.256 0 CA-C-N 110.392 -3.094 . . . . 0.0 113.905 161.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.9 t -168.0 89.05 0.68 Allowed Pre-proline 0 N--CA 1.5 2.071 0 CA-C-O 116.434 -1.746 . . . . 0.0 111.611 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -51.26 -40.65 60.8 Favored 'Trans proline' 1 CA--C 1.629 5.267 0 N-CA-C 122.09 3.842 . . . . 0.0 122.09 166.023 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.25 75.2 Cg_exo -53.49 -55.01 3.98 Favored 'Trans proline' 0 N--CA 1.501 1.964 0 C-N-CA 123.215 2.61 . . . . 0.0 117.746 165.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.462 ' SG ' ' HG3' ' A' ' 81' ' ' PRO 0.321 12.5 m -62.59 -20.76 65.04 Favored 'General case' 0 CA--C 1.584 2.261 0 N-CA-C 120.02 3.341 . . . . 0.0 120.02 162.779 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -57.62 -39.8 77.73 Favored 'General case' 0 CA--C 1.578 2.046 0 O-C-N 118.249 -2.782 . . . . 0.0 116.984 158.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.402 22.7 ptt? -67.55 -53.39 28.82 Favored 'General case' 0 N--CA 1.508 2.468 0 N-CA-C 117.889 2.551 . . . . 0.0 117.889 154.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.366 1.0 OUTLIER -49.44 -31.7 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 1 N-CA-C 122.192 4.145 . . . . 0.0 122.192 172.732 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.311 . . -54.22 -59.05 11.06 Favored Pre-proline 0 CA--C 1.591 2.538 0 C-N-CA 125.184 1.394 . . . . 0.0 113.843 171.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -54.65 -39.5 88.66 Favored 'Trans proline' 0 CA--C 1.586 3.118 0 N-CA-C 122.317 3.93 . . . . 0.0 122.317 160.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.29 47.2 mm -55.23 -54.38 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.293 0 O-C-N 124.862 1.351 . . . . 0.0 112.514 167.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.87 -47.34 8.25 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 118.475 2.769 . . . . 0.0 118.475 170.15 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.94 92.43 Favored 'General case' 0 CA--C 1.574 1.89 0 N-CA-C 119.696 3.221 . . . . 0.0 119.696 167.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -56.67 -51.49 68.55 Favored 'General case' 0 N--CA 1.537 3.884 0 N-CA-C 117.025 2.232 . . . . 0.0 117.025 164.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.3 2.2 tm? -53.21 -59.43 4.57 Favored 'General case' 0 CA--C 1.571 1.763 0 O-C-N 125.908 2.005 . . . . 0.0 115.461 168.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.75 -44.64 38.77 Favored 'General case' 0 N--CA 1.526 3.351 0 N-CA-C 117.3 2.333 . . . . 0.0 117.3 167.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -50.52 -45.58 56.72 Favored 'General case' 0 N--CA 1.508 2.435 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 163.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -56.66 -31.29 64.25 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 121.24 3.793 . . . . 0.0 121.24 170.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -131.69 95.09 23.88 Favored Pre-proline 0 N--CA 1.519 2.989 0 C-N-CA 128.648 2.779 . . . . 0.0 112.618 -159.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.429 35.8 Cg_endo -66.14 -40.47 15.48 Favored 'Trans proline' 0 CA--C 1.578 2.695 2 C-N-CA 130.712 7.608 . . . . 0.0 125.972 174.544 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -68.36 3.67 1.64 Allowed 'General case' 0 C--O 1.289 3.141 0 C-N-CA 127.7 2.4 . . . . 0.0 114.669 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.36 6.0 p -144.35 118.45 3.34 Favored 'Isoleucine or valine' 0 C--N 1.392 2.427 0 CA-C-O 126.189 2.899 . . . . 0.0 106.099 -155.128 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.556 ' HB ' HG22 ' A' ' 29' ' ' ILE . 15.6 m -87.16 155.89 19.92 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-O 128.21 3.862 . . . . 0.0 109.72 165.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -137.93 144.73 41.4 Favored 'General case' 0 C--N 1.361 1.069 0 CA-C-N 111.611 -2.541 . . . . 0.0 109.755 -172.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 pp -158.06 151.58 23.5 Favored 'General case' 0 CA--C 1.581 2.153 0 CA-C-O 124.468 2.08 . . . . 0.0 108.121 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -137.03 109.6 7.46 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 127.106 3.336 . . . . 0.0 105.898 -169.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.5 t -84.93 122.12 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 1 CA-C-N 107.285 -4.507 . . . . 0.0 102.422 174.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -79.01 115.33 18.62 Favored 'General case' 0 CA--C 1.577 1.984 0 O-C-N 116.301 -3.999 . . . . 0.0 105.354 158.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.381 0.3 OUTLIER -58.47 -42.34 84.08 Favored 'Isoleucine or valine' 0 C--N 1.386 2.172 0 C-N-CA 129.515 3.126 . . . . 0.0 114.774 -175.221 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.274 7.5 m-20 -43.95 -60.09 1.99 Allowed 'General case' 1 N--CA 1.545 4.29 0 C-N-CA 126.819 2.048 . . . . 0.0 110.925 179.253 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.96 -18.65 61.09 Favored 'General case' 0 C--O 1.255 1.347 0 N-CA-C 118.997 2.962 . . . . 0.0 118.997 169.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.5 mt -153.72 51.75 0.7 Allowed 'General case' 1 N--CA 1.548 4.451 0 O-C-N 117.4 -3.313 . . . . 0.0 109.749 -159.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.348 9.4 ptpt -67.13 -56.12 11.34 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 118.157 -2.839 . . . . 0.0 118.044 173.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.332 . . -46.32 -57.9 4.19 Favored 'General case' 0 N--CA 1.394 -3.237 0 O-C-N 127.379 2.925 . . . . 0.0 115.436 177.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.4 p -52.62 -52.16 29.13 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.139 0 N-CA-C 121.098 3.74 . . . . 0.0 121.098 158.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . 0.47 . . -44.6 -54.32 6.23 Favored 'General case' 1 N--CA 1.585 6.282 0 O-C-N 128.298 3.499 . . . . 0.0 118.458 173.555 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -52.53 -48.12 66.26 Favored 'General case' 0 C--N 1.273 -2.756 0 O-C-N 125.904 2.002 . . . . 0.0 112.689 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.456 0.0 OUTLIER -56.21 -42.13 76.71 Favored 'General case' 1 C--O 1.347 6.189 0 O-C-N 117.306 -3.371 . . . . 0.0 117.066 170.388 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.491 64.4 m95 -48.49 -54.18 15.25 Favored 'General case' 0 C--N 1.401 2.829 0 O-C-N 117.466 -3.271 . . . . 0.0 117.509 163.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.275 18.0 t-20 150.77 65.14 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.463 0 N-CA-C 103.893 -2.632 . . . . 0.0 103.893 154.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.5 t -135.8 94.05 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.536 3.835 2 N-CA-C 97.401 -5.037 . . . . 0.0 97.401 -160.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.85 -17.38 60.6 Favored 'General case' 2 N--CA 1.576 5.831 1 N-CA-C 122.96 4.43 . . . . 0.0 122.96 146.358 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -143.4 151.25 40.18 Favored 'General case' 0 CA--C 1.595 2.71 1 CA-C-O 128.582 4.039 . . . . 0.0 114.239 -168.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.3 mmt -102.06 107.64 53.44 Favored Pre-proline 0 C--O 1.285 2.968 0 CA-C-N 109.411 -3.54 . . . . 0.0 110.385 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.462 ' HG3' ' SG ' ' A' ' 41' ' ' CYS 0.33 0.4 OUTLIER -149.65 154.49 0.0 OUTLIER 'Cis proline' 1 CA--C 1.628 5.178 0 CA-C-O 128.567 3.486 . . . . 0.0 119.597 5.081 . . . . . . . . 5 4 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.532 HG23 ' HB ' ' A' ' 96' ' ' VAL 0.36 2.8 m -117.68 136.63 53.21 Favored 'General case' 0 CA--C 1.578 2.024 2 CA-C-N 103.153 -6.385 . . . . 0.0 104.01 -141.023 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -135.16 113.85 11.78 Favored 'General case' 0 C--N 1.379 1.886 1 O-C-N 114.604 -5.06 . . . . 0.0 110.739 -176.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 mt -125.82 136.75 59.86 Favored 'Isoleucine or valine' 1 CA--C 1.632 4.133 0 CA-C-N 109.096 -3.683 . . . . 0.0 103.891 -165.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -116.36 120.3 38.42 Favored 'General case' 0 N--CA 1.406 -2.657 1 CA-C-N 108.054 -4.157 . . . . 0.0 107.587 -165.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.43 119.64 12.15 Favored 'General case' 0 N--CA 1.512 2.668 1 N-CA-C 95.102 -5.888 . . . . 0.0 95.102 -166.881 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.299 70.2 tttt -120.42 178.58 4.61 Favored 'General case' 0 CA--C 1.588 2.428 0 C-N-CA 129.29 3.036 . . . . 0.0 108.368 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -54.54 40.41 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.288 1 N-CA-C 123.894 4.776 . . . . 0.0 123.894 155.029 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.37 54.48 0.14 Allowed Glycine 0 N--CA 1.499 2.892 0 C-N-CA 125.305 1.431 . . . . 0.0 114.428 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.428 ' HG2' ' H ' ' A' ' 91' ' ' LEU 0.497 17.4 ttmt 61.81 -165.08 0.23 Allowed 'General case' 0 N--CA 1.528 3.437 0 C-N-CA 126.332 1.853 . . . . 0.0 113.426 -176.017 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.428 ' H ' ' HG2' ' A' ' 90' ' ' LYS . 33.3 tp -55.39 104.49 0.13 Allowed 'General case' 0 C--O 1.267 2.004 0 C-N-CA 125.916 1.686 . . . . 0.0 115.265 168.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.407 31.6 m -76.19 -51.15 20.61 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.643 0 C-N-CA 130.165 3.386 . . . . 0.0 115.571 173.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -164.69 162.1 21.11 Favored 'General case' 0 C--N 1.403 2.913 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -169.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.87 144.54 21.47 Favored 'General case' 0 C--O 1.248 1.013 0 O-C-N 126.114 2.134 . . . . 0.0 111.49 -171.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.8 m -165.33 151.89 10.15 Favored 'General case' 0 CA--C 1.603 2.988 0 CA-C-O 126.932 3.253 . . . . 0.0 102.377 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.532 ' HB ' HG23 ' A' ' 82' ' ' THR 0.287 0.2 OUTLIER -134.68 101.69 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.801 0 N-CA-C 100.663 -3.829 . . . . 0.0 100.663 -171.127 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 176.14 112.75 0.32 Allowed Glycine 0 CA--C 1.568 3.371 0 CA-C-N 113.933 -1.485 . . . . 0.0 115.579 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.12 106.51 5.01 Favored 'General case' 0 CA--C 1.585 2.297 0 CA-C-O 116.231 -1.843 . . . . 0.0 113.671 170.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -162.06 113.6 1.66 Allowed 'General case' 0 C--N 1.384 2.089 0 N-CA-C 106.074 -1.825 . . . . 0.0 106.074 -173.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.294 38.2 pttt -39.79 -53.37 2.25 Favored 'General case' 0 CA--C 1.576 1.977 1 N-CA-C 124.885 5.143 . . . . 0.0 124.885 175.978 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.343 0.6 OUTLIER -65.64 -49.1 69.9 Favored 'General case' 0 CA--C 1.579 2.096 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 163.168 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -41.95 -68.7 0.66 Allowed Glycine 0 CA--C 1.55 2.255 0 C-N-CA 128.525 2.964 . . . . 0.0 117.67 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.6 tp -49.62 -48.54 76.09 Favored Pre-proline 0 CA--C 1.585 2.32 0 N-CA-C 117.192 2.293 . . . . 0.0 117.192 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -54.77 -41.06 81.59 Favored 'Trans proline' 0 N--CA 1.529 3.593 0 N-CA-C 122.106 3.848 . . . . 0.0 122.106 161.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.8 m -56.48 -56.28 23.24 Favored 'General case' 0 CA--C 1.589 2.467 0 N-CA-C 118.251 2.686 . . . . 0.0 118.251 166.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.1 tp -56.94 -38.04 72.35 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 119.517 3.154 . . . . 0.0 119.517 167.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.485 38.0 t -58.96 -52.04 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.812 0 C-N-CA 127.247 2.219 . . . . 0.0 116.525 165.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.27 -51.71 42.52 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 119.868 3.284 . . . . 0.0 119.868 170.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -55.94 -42.46 76.18 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 165.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.31 28.1 m-70 -60.69 -45.38 94.4 Favored 'General case' 0 C--N 1.4 2.764 1 N-CA-C 123.129 4.492 . . . . 0.0 123.129 166.362 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.583 2.242 0 N-CA-C 116.801 2.149 . . . . 0.0 116.801 163.115 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.286 11.1 pt-20 . . . . . 0 CA--C 1.558 1.278 0 CA-C-O 124.228 1.966 . . . . 0.0 108.775 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.58 167.22 50.55 Favored Glycine 0 N--CA 1.502 3.09 0 C-N-CA 126.819 2.152 . . . . 0.0 114.16 168.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -151.94 126.41 9.41 Favored 'General case' 0 CA--C 1.57 1.742 0 CA-C-N 112.276 -1.962 . . . . 0.0 106.224 -163.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.282 38.8 t -104.49 119.92 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.962 1 C-N-CA 131.878 4.071 . . . . 0.0 104.176 -177.375 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -135.53 130.99 50.85 Favored 'Isoleucine or valine' 1 N--CA 1.54 4.074 0 C-N-CA 129.686 3.194 . . . . 0.0 105.652 -179.542 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.42 152.94 13.49 Favored 'General case' 0 N--CA 1.515 2.824 0 N-CA-C 117.897 2.554 . . . . 0.0 117.897 153.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.596 ' SG ' HD13 ' A' ' 61' ' ' LEU . 68.9 m -150.41 144.07 25.21 Favored 'General case' 0 CA--C 1.606 3.132 0 CA-C-O 126.473 3.035 . . . . 0.0 108.943 -170.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -137.79 -46.59 0.54 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 119.411 -2.056 . . . . 0.0 116.234 -149.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -145.5 -169.51 3.23 Favored 'General case' 0 CA--C 1.607 3.173 0 C-N-CA 127.319 2.248 . . . . 0.0 113.422 -161.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.4 p -49.48 -18.43 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.533 3.701 0 N-CA-C 119.206 3.039 . . . . 0.0 119.206 156.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -56.22 -44.27 79.4 Favored 'General case' 0 C--N 1.365 1.265 0 O-C-N 117.138 -3.476 . . . . 0.0 115.585 164.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.43 3.8 t -58.6 -32.42 68.98 Favored 'General case' 0 N--CA 1.528 3.466 0 N-CA-C 117.279 2.326 . . . . 0.0 117.279 167.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -51.46 -37.05 46.9 Favored 'General case' 0 N--CA 1.507 2.393 0 N-CA-C 118.215 2.672 . . . . 0.0 118.215 160.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.271 27.6 mtmt -56.88 -59.03 5.65 Favored 'General case' 0 CA--C 1.561 1.396 0 CA-C-O 113.239 -3.267 . . . . 0.0 117.236 156.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -61.39 -64.67 0.87 Allowed 'General case' 0 CA--C 1.585 2.313 0 CA-C-N 121.997 2.18 . . . . 0.0 113.961 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -55.59 -59.76 4.39 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 129.054 2.942 . . . . 0.0 116.158 -178.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.313 1.7 t80 -58.67 -60.51 3.71 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 175.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.261 5.2 mm-40 -47.95 -56.48 7.52 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 120.393 3.479 . . . . 0.0 120.393 173.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -55.35 -60.21 3.72 Favored 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 117.756 2.502 . . . . 0.0 117.756 164.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.05 -86.78 0.01 OUTLIER Glycine 0 CA--C 1.554 2.516 0 N-CA-C 118.763 2.265 . . . . 0.0 118.763 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -69.53 99.17 1.23 Allowed 'General case' 0 CA--C 1.577 2.003 0 CA-C-O 123.713 1.721 . . . . 0.0 111.258 155.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.07 -54.44 0.45 Allowed Glycine 0 CA--C 1.559 2.843 0 CA-C-N 113.058 -1.883 . . . . 0.0 114.484 159.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.3 m -82.24 130.18 35.03 Favored 'General case' 0 CA--C 1.609 3.231 0 O-C-N 128.561 3.153 . . . . 0.0 111.049 171.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -56.75 77.54 0.0 OUTLIER 'General case' 0 CA--C 1.587 2.385 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 162.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -157.89 155.22 29.21 Favored 'General case' 0 CA--C 1.582 2.202 0 C-N-CA 127.712 2.405 . . . . 0.0 108.549 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 58' ' ' VAL 0.273 32.5 tp -76.72 152.48 35.68 Favored 'General case' 0 CA--C 1.606 3.131 0 CA-C-O 125.756 2.693 . . . . 0.0 112.264 152.087 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.3 pt -145.48 123.85 5.14 Favored 'Isoleucine or valine' 0 CA--C 1.605 3.066 0 N-CA-C 101.011 -3.7 . . . . 0.0 101.011 177.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.9 t -119.85 141.73 38.64 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.019 0 C-N-CA 130.287 3.435 . . . . 0.0 103.796 -177.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.413 6.8 p -151.1 104.56 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.85 0 CA-C-N 113.476 -1.693 . . . . 0.0 109.028 -161.462 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -58.51 141.69 51.13 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 120.432 3.493 . . . . 0.0 120.432 149.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -131.07 110.04 10.91 Favored 'General case' 0 C--O 1.293 3.381 1 C-N-CA 134.046 4.938 . . . . 0.0 102.158 177.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 t -146.71 152.26 38.54 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 103.235 -2.876 . . . . 0.0 103.235 -165.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.25 159.62 20.94 Favored 'General case' 0 N--CA 1.509 2.517 0 C-N-CA 127.156 2.182 . . . . 0.0 115.173 155.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 t -63.16 -43.58 97.89 Favored 'General case' 0 CA--C 1.588 2.414 0 C-N-CA 126.304 1.842 . . . . 0.0 108.433 161.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.297 60.9 p-90 -67.13 67.12 0.07 Allowed 'General case' 0 CA--C 1.613 3.375 0 N-CA-C 117.918 2.562 . . . . 0.0 117.918 162.008 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.9 t -166.01 89.21 0.88 Allowed Pre-proline 0 N--CA 1.509 2.513 0 O-C-N 121.356 -0.84 . . . . 0.0 108.737 -176.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -54.83 -45.65 39.32 Favored 'Trans proline' 0 CA--C 1.568 2.18 0 C-N-CA 125.151 3.901 . . . . 0.0 118.844 165.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -40.13 -50.53 3.46 Favored 'Trans proline' 1 N--CA 1.564 5.668 0 N-CA-C 122.32 3.931 . . . . 0.0 122.32 162.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 81' ' ' PRO 0.42 5.0 m -69.35 -29.01 66.72 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 117.734 2.494 . . . . 0.0 117.734 164.179 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.265 57.8 tttp -47.89 -49.73 28.87 Favored 'General case' 0 CA--C 1.581 2.164 0 O-C-N 116.666 -3.771 . . . . 0.0 116.062 161.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.408 3.7 ptt? -60.54 -48.4 81.95 Favored 'General case' 0 CA--C 1.587 2.379 0 CA-C-O 126.016 2.817 . . . . 0.0 118.062 162.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.34 1.0 OUTLIER -55.22 -34.78 33.89 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.547 0 N-CA-C 118.914 2.931 . . . . 0.0 118.914 175.609 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.453 ' HB3' ' HD3' ' A' ' 46' ' ' PRO 0.255 . . -48.56 -60.87 3.82 Favored Pre-proline 0 CA--C 1.584 2.267 0 CA-C-O 115.051 -2.404 . . . . 0.0 114.317 172.263 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' A' ' 45' ' ' ALA 0.412 25.8 Cg_exo -53.55 -43.22 59.54 Favored 'Trans proline' 0 CA--C 1.555 1.56 1 C-N-CA 126.098 4.532 . . . . 0.0 118.927 163.405 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.447 29.5 mm -50.16 -56.6 3.44 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.184 0 N-CA-C 121.399 3.851 . . . . 0.0 121.399 162.282 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -54.83 -28.32 48.7 Favored 'General case' 0 N--CA 1.51 2.553 0 C-N-CA 126.467 1.907 . . . . 0.0 113.849 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.93 -45.21 64.61 Favored 'General case' 0 C--O 1.282 2.771 0 N-CA-C 120.652 3.575 . . . . 0.0 120.652 163.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -58.83 -52.4 65.89 Favored 'General case' 0 N--CA 1.516 2.863 0 O-C-N 119.853 -1.78 . . . . 0.0 112.09 166.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.38 -47.09 47.94 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 168.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.74 -45.14 78.06 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 119.542 3.164 . . . . 0.0 119.542 173.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -57.3 -42.7 82.27 Favored 'General case' 0 CA--C 1.563 1.47 0 N-CA-C 115.556 1.688 . . . . 0.0 115.556 166.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.345 33.2 ttmt -51.09 -38.96 54.88 Favored 'General case' 1 CA--C 1.63 4.042 0 N-CA-C 118.706 2.854 . . . . 0.0 118.706 167.855 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . 0.292 2.5 m-85 -134.7 103.88 10.99 Favored Pre-proline 1 CA--C 1.632 4.097 0 O-C-N 125.838 1.961 . . . . 0.0 108.22 -156.618 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.291 44.1 Cg_endo -70.95 -39.16 4.45 Favored 'Trans proline' 0 N--CA 1.526 3.423 2 C-N-CA 129.277 6.651 . . . . 0.0 128.424 167.503 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -57.69 -4.11 0.25 Allowed 'General case' 1 CA--C 1.642 4.494 0 C-N-CA 127.068 2.147 . . . . 0.0 114.192 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 28' ' ' LEU 0.274 3.6 p -144.85 110.66 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.337 0 CA-C-O 125.738 2.685 . . . . 0.0 107.787 -152.107 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.3 m -65.27 158.15 27.06 Favored 'General case' 0 CA--C 1.606 3.111 0 O-C-N 119.161 -2.212 . . . . 0.0 113.416 164.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -149.44 114.39 5.41 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 117.077 -3.514 . . . . 0.0 109.09 -167.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.596 HD13 ' SG ' ' A' ' 9' ' ' CYS . 1.1 pp -143.74 155.44 44.19 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 126.195 1.798 . . . . 0.0 110.73 -166.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -151.53 121.91 7.32 Favored 'General case' 0 C--O 1.261 1.687 0 CA-C-O 126.236 2.922 . . . . 0.0 108.994 -164.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 70.3 t -94.12 131.41 41.1 Favored 'Isoleucine or valine' 1 CA--C 1.668 5.486 0 C-N-CA 129.273 3.029 . . . . 0.0 108.34 -176.298 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -75.55 100.73 4.66 Favored 'General case' 0 N--CA 1.512 2.632 0 CA-C-N 112.081 -2.327 . . . . 0.0 110.199 157.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.321 2.9 p -45.46 -42.81 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.446 0 C-N-CA 129.643 3.177 . . . . 0.0 118.341 173.418 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.462 8.5 m-20 -53.43 -54.38 37.8 Favored 'General case' 0 N--CA 1.533 3.696 0 CA-C-N 120.702 1.592 . . . . 0.0 111.774 169.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.399 42.7 mt-10 -52.21 -31.37 31.58 Favored 'General case' 0 CA--C 1.605 3.093 0 N-CA-C 118.214 2.672 . . . . 0.0 118.214 170.238 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.6 mt -156.09 64.9 0.57 Allowed 'General case' 0 CA--C 1.624 3.82 0 O-C-N 116.622 -3.799 . . . . 0.0 107.153 -170.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -63.54 -49.2 74.4 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 119.285 3.068 . . . . 0.0 119.285 165.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.92 -63.91 0.97 Allowed 'General case' 1 CA--C 1.636 4.288 0 N-CA-C 119.143 3.016 . . . . 0.0 119.143 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.0 p -59.57 -35.6 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.197 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 164.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.82 -51.34 67.82 Favored 'General case' 0 N--CA 1.515 2.81 0 O-C-N 117.485 -3.259 . . . . 0.0 113.99 170.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -50.88 -50.49 57.07 Favored 'General case' 0 N--CA 1.491 1.609 1 CA-C-O 109.656 -4.973 . . . . 0.0 109.492 172.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.478 0.0 OUTLIER -48.73 -56.77 7.65 Favored 'General case' 0 CA--C 1.617 3.545 0 O-C-N 127.113 2.758 . . . . 0.0 115.644 177.601 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -59.49 -43.57 93.28 Favored 'General case' 0 C--N 1.41 3.197 0 CA-C-O 116.289 -1.815 . . . . 0.0 111.829 176.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.409 28.8 t-20 147.61 86.66 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 113.769 -3.015 . . . . 0.0 107.782 148.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.1 t -145.9 86.86 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.433 1 N-CA-C 98.286 -4.709 . . . . 0.0 98.286 -169.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.423 ' H ' ' HG3' ' A' ' 78' ' ' GLU 0.306 0.0 OUTLIER -85.24 -9.36 57.84 Favored 'General case' 0 N--CA 1.415 -2.183 0 C-N-CA 129.62 3.168 . . . . 0.0 116.627 148.461 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . 0.338 . . -152.66 143.76 23.1 Favored 'General case' 0 N--CA 1.537 3.879 0 CA-C-O 125.445 2.545 . . . . 0.0 112.008 -170.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.4 mmt -67.82 128.23 93.4 Favored Pre-proline 1 CA--C 1.66 5.181 0 N-CA-C 117.215 2.302 . . . . 0.0 117.215 153.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HB2' ' SG ' ' A' ' 41' ' ' CYS 0.46 93.5 Cg_endo -143.24 159.33 0.0 OUTLIER 'Cis proline' 0 C--O 1.158 -3.489 1 C-N-CA 117.095 -4.127 . . . . 0.0 116.563 -15.634 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 m -131.32 121.08 24.08 Favored 'General case' 0 C--O 1.271 2.195 1 CA-C-N 107.154 -4.567 . . . . 0.0 111.083 -140.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -99.63 128.44 45.74 Favored 'General case' 0 C--N 1.381 1.945 1 CA-C-O 129.862 4.649 . . . . 0.0 110.748 173.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.257 2.0 mt -128.09 134.8 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.542 0 CA-C-N 109.138 -3.664 . . . . 0.0 108.225 -174.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.451 ' HB2' ' HB3' ' A' ' 93' ' ' ASP . 71.3 m-85 -123.46 104.88 9.35 Favored 'General case' 0 C--O 1.264 1.831 2 O-C-N 131.819 5.699 . . . . 0.0 101.942 -166.419 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.98 129.47 49.3 Favored 'General case' 0 C--N 1.382 1.988 1 CA-C-O 129.164 4.316 . . . . 0.0 101.313 -179.195 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.306 52.8 tttt -141.06 169.07 18.31 Favored 'General case' 0 N--CA 1.527 3.399 0 O-C-N 117.555 -3.216 . . . . 0.0 105.826 -172.329 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -51.76 57.94 0.0 OUTLIER 'General case' 0 C--N 1.392 2.436 1 N-CA-C 122.474 4.249 . . . . 0.0 122.474 163.1 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 175.59 51.32 0.06 OUTLIER Glycine 0 CA--C 1.556 2.64 0 C-N-CA 128.241 2.829 . . . . 0.0 110.125 167.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt 57.81 -160.01 0.25 Allowed 'General case' 0 CA--C 1.618 3.569 0 CA-C-N 122.655 3.228 . . . . 0.0 115.962 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.9 tp -61.48 86.8 0.02 OUTLIER 'General case' 0 CA--C 1.581 2.14 0 C-N-CA 129.152 2.981 . . . . 0.0 118.108 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.271 27.7 m -68.37 -50.56 55.9 Favored 'Isoleucine or valine' 0 CA--C 1.613 3.384 1 CA-C-O 111.489 -4.1 . . . . 0.0 118.191 175.516 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.451 ' HB3' ' HB2' ' A' ' 85' ' ' PHE . 21.5 t70 -157.38 164.08 37.91 Favored 'General case' 0 CA--C 1.615 3.448 0 CA-C-N 122.684 2.493 . . . . 0.0 108.053 -166.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.36 144.3 20.72 Favored 'General case' 0 C--O 1.275 2.41 0 O-C-N 126.701 2.5 . . . . 0.0 112.583 -177.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 36.6 m -162.11 111.66 1.5 Allowed 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 103.451 -2.796 . . . . 0.0 103.451 -177.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.25 4.0 p -93.08 97.43 7.17 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.358 0 C-N-CA 130.372 3.469 . . . . 0.0 106.136 176.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 152.88 99.13 0.18 Allowed Glycine 0 C--O 1.29 3.616 0 CA-C-N 112.79 -2.004 . . . . 0.0 112.518 160.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.36 134.25 18.92 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 118.762 2.875 . . . . 0.0 118.762 166.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -153.75 133.22 12.83 Favored 'General case' 0 C--N 1.397 2.647 0 N-CA-C 102.261 -3.237 . . . . 0.0 102.261 -175.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.292 54.3 pttt -50.11 -58.64 5.1 Favored 'General case' 0 CA--C 1.612 3.337 0 N-CA-C 118.577 2.806 . . . . 0.0 118.577 178.017 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -70.27 -44.53 68.23 Favored 'General case' 0 CA--C 1.614 3.43 0 N-CA-C 118.873 2.916 . . . . 0.0 118.873 168.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -48.85 -43.2 30.23 Favored Glycine 0 C--N 1.344 0.976 0 CA-C-O 125.703 2.835 . . . . 0.0 119.79 177.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.279 37.8 tp -53.41 -68.8 0.4 Allowed Pre-proline 0 CA--C 1.602 2.98 0 O-C-N 117.284 -3.48 . . . . 0.0 109.933 168.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -38.08 -42.3 1.46 Allowed 'Trans proline' 0 C--O 1.214 -0.681 3 C-N-CA 127.564 5.509 . . . . 0.0 124.592 157.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 m -56.79 -60.57 3.37 Favored 'General case' 0 C--O 1.269 2.079 0 N-CA-C 118.303 2.705 . . . . 0.0 118.303 173.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 40.8 tp -58.98 -51.28 70.76 Favored 'General case' 0 CA--C 1.587 2.369 0 C-N-CA 127.706 2.402 . . . . 0.0 116.129 170.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 62.0 t -52.06 -55.6 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 CA-C-N 122.08 2.218 . . . . 0.0 112.55 173.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.79 -41.89 24.59 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 119.992 3.33 . . . . 0.0 119.992 168.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -58.53 -48.11 81.95 Favored 'General case' 0 CA--C 1.6 2.889 0 N-CA-C 117.792 2.516 . . . . 0.0 117.792 158.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.356 4.2 m-70 -59.87 -66.69 0.48 Allowed 'General case' 0 CA--C 1.577 1.986 0 C-N-CA 129.631 3.172 . . . . 0.0 113.543 174.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.525 3.277 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 172.193 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.423 8.2 pt-20 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 123.952 1.834 . . . . 0.0 115.857 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.6 170.38 13.08 Favored Glycine 0 N--CA 1.507 3.408 0 CA-C-N 110.976 -2.829 . . . . 0.0 117.219 157.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -150.22 108.57 3.78 Favored 'General case' 0 CA--C 1.567 1.602 0 CA-C-O 123.268 1.508 . . . . 0.0 108.361 -165.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.9 t -82.21 126.26 39.93 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 CA-C-N 112.41 -2.177 . . . . 0.0 107.594 173.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.251 0.3 OUTLIER -132.32 129.96 59.95 Favored 'Isoleucine or valine' 0 C--O 1.303 3.919 0 C-N-CA 128.572 2.749 . . . . 0.0 104.052 -177.568 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.93 149.92 49.18 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 119.502 -1.999 . . . . 0.0 115.315 159.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.466 ' SG ' HD13 ' A' ' 61' ' ' LEU . 66.9 m -149.7 125.57 10.51 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-O 125.101 2.381 . . . . 0.0 106.153 -164.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -123.47 -41.0 2.31 Favored 'General case' 0 CA--C 1.618 3.586 0 C-N-CA 130.868 3.667 . . . . 0.0 113.7 -160.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.2 p -149.54 -170.96 3.77 Favored 'General case' 0 CA--C 1.592 2.589 0 C-N-CA 126.749 2.02 . . . . 0.0 108.806 -167.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 p -59.37 -11.14 2.25 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.98 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 172.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.42 -38.96 72.26 Favored 'General case' 0 CA--C 1.586 2.348 1 CA-C-O 110.421 -4.609 . . . . 0.0 115.92 153.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.49 -38.51 59.66 Favored 'General case' 0 CA--C 1.617 3.542 0 CA-C-N 124.745 3.43 . . . . 0.0 115.996 158.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 41.0 m95 -51.4 -52.22 47.86 Favored 'General case' 0 N--CA 1.504 2.239 0 CA-C-N 120.948 1.704 . . . . 0.0 115.332 165.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.357 38.1 mtmt -52.08 -34.67 44.92 Favored 'General case' 0 CA--C 1.606 3.111 1 N-CA-C 121.81 4.004 . . . . 0.0 121.81 163.919 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -73.05 -63.51 1.16 Allowed 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 173.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -59.6 -58.41 8.72 Favored 'General case' 0 N--CA 1.506 2.343 1 C-N-CA 134.496 5.119 . . . . 0.0 119.079 -172.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.301 0.2 OUTLIER -64.52 -53.65 44.64 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 128.025 2.53 . . . . 0.0 116.665 174.024 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -49.14 -53.22 21.89 Favored 'General case' 0 C--O 1.268 2.076 0 N-CA-C 118.704 2.853 . . . . 0.0 118.704 166.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -57.65 -59.23 5.51 Favored 'General case' 0 CA--C 1.614 3.431 0 CA-C-O 123.456 1.598 . . . . 0.0 114.018 169.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.2 -83.79 0.02 OUTLIER Glycine 0 C--O 1.256 1.476 0 CA-C-O 123.576 1.653 . . . . 0.0 116.61 177.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -80.58 92.55 5.95 Favored 'General case' 0 C--N 1.288 -2.089 0 C-N-CA 126.141 1.776 . . . . 0.0 109.562 162.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.39 -31.64 0.23 Allowed Glycine 0 CA--C 1.55 2.224 0 CA-C-N 111.633 -2.53 . . . . 0.0 115.608 167.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.4 m -119.52 136.31 54.4 Favored 'General case' 0 CA--C 1.602 2.963 0 C-N-CA 131.536 3.934 . . . . 0.0 101.994 -167.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -70.08 74.53 0.48 Allowed 'General case' 0 CA--C 1.597 2.785 0 C-N-CA 127.13 2.172 . . . . 0.0 114.304 163.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -156.0 156.22 34.08 Favored 'General case' 0 CA--C 1.585 2.316 0 CA-C-O 125.721 2.677 . . . . 0.0 108.313 -178.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 10.1 tp -79.15 138.13 37.76 Favored 'General case' 0 CA--C 1.627 3.916 0 CA-C-N 111.52 -2.582 . . . . 0.0 115.615 152.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.423 HG22 ' HB ' ' A' ' 59' ' ' THR 0.433 1.0 OUTLIER -133.71 121.71 41.04 Favored 'Isoleucine or valine' 0 CA--C 1.627 3.941 0 C-N-CA 131.276 3.831 . . . . 0.0 107.039 -177.513 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.4 t -129.65 131.17 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 CA-C-N 111.886 -2.415 . . . . 0.0 105.483 -160.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.28 2.5 p -138.99 104.95 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.318 1 O-C-N 129.804 4.44 . . . . 0.0 115.665 -164.955 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -62.87 148.55 46.84 Favored 'General case' 0 N--CA 1.521 3.124 0 CA-C-O 124.542 2.115 . . . . 0.0 110.172 158.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -144.7 98.11 3.13 Favored 'General case' 0 C--N 1.406 3.06 1 N-CA-C 98.01 -4.811 . . . . 0.0 98.01 -178.041 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.536 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 8.5 t -153.95 151.68 29.7 Favored 'General case' 0 CA--C 1.585 2.308 0 CA-C-O 128.174 3.845 . . . . 0.0 103.456 -172.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.402 ' HB1' ' CD1' ' A' ' 37' ' ' TRP 0.33 . . -77.36 134.26 38.52 Favored 'General case' 0 C--O 1.296 3.506 1 CA-C-N 108.324 -4.035 . . . . 0.0 116.752 160.887 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.3 t -47.87 -40.48 21.7 Favored 'General case' 0 CA--C 1.567 1.625 0 N-CA-C 118.182 2.66 . . . . 0.0 118.182 169.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.402 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 3.1 p-90 -68.64 88.55 0.36 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 127.515 3.009 . . . . 0.0 111.288 152.27 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.9 t -177.09 96.89 0.23 Allowed Pre-proline 0 C--O 1.182 -2.487 0 O-C-N 117.207 -3.433 . . . . 0.0 106.106 176.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -52.21 -48.79 19.94 Favored 'Trans proline' 0 N--CA 1.505 2.17 1 C-N-CA 126.851 5.034 . . . . 0.0 115.163 168.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.321 24.6 Cg_exo -44.73 -45.34 13.57 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 124.651 3.568 . . . . 0.0 118.204 167.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.468 ' HA ' HG22 ' A' ' 44' ' ' ILE 0.601 78.5 m -69.78 -31.63 69.66 Favored 'General case' 0 C--O 1.205 -1.281 1 N-CA-C 123.402 4.593 . . . . 0.0 123.402 165.587 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -57.43 -45.85 84.2 Favored 'General case' 0 N--CA 1.505 2.314 0 N-CA-C 119.596 3.184 . . . . 0.0 119.596 159.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 15.0 ptm -64.17 -48.23 76.79 Favored 'General case' 0 C--N 1.399 2.747 0 CA-C-N 121.678 2.036 . . . . 0.0 113.371 159.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.468 HG22 ' HA ' ' A' ' 41' ' ' CYS 0.588 1.0 OUTLIER -45.77 -38.37 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.742 1 N-CA-C 123.335 4.569 . . . . 0.0 123.335 169.341 . . . . . . . . 5 4 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.463 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . . . -54.74 -54.54 48.22 Favored Pre-proline 0 CA--C 1.614 3.405 0 CA-C-O 114.036 -2.888 . . . . 0.0 117.87 169.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.463 ' HD3' ' HB3' ' A' ' 45' ' ' ALA . 25.8 Cg_exo -45.96 -44.26 18.96 Favored 'Trans proline' 0 CA--C 1.583 2.949 0 C-N-CA 124.869 3.712 . . . . 0.0 120.543 153.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.308 28.5 mm -52.16 -57.08 4.32 Favored 'Isoleucine or valine' 1 N--CA 1.55 4.556 0 CA-C-N 122.039 2.2 . . . . 0.0 113.81 163.11 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -44.02 -44.56 7.42 Favored 'General case' 0 N--CA 1.519 2.989 0 N-CA-C 118.792 2.886 . . . . 0.0 118.792 171.035 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.16 -45.74 76.14 Favored 'General case' 0 CA--C 1.62 3.648 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 168.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -53.9 -52.62 59.95 Favored 'General case' 0 CA--C 1.599 2.828 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 168.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.374 1.4 tm? -62.91 -36.0 81.93 Favored 'General case' 0 C--O 1.192 -1.965 0 C-N-CA 126.22 1.808 . . . . 0.0 113.3 174.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.26 77.61 Favored 'General case' 0 C--N 1.378 1.816 0 O-C-N 118.703 -2.498 . . . . 0.0 117.071 160.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -60.2 -33.04 71.68 Favored 'General case' 0 CA--C 1.605 3.075 0 CA-C-O 114.268 -2.777 . . . . 0.0 117.676 165.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.26 39.3 ttmt -65.63 -30.96 71.74 Favored 'General case' 0 C--O 1.28 2.698 0 C-N-CA 127.703 2.401 . . . . 0.0 116.958 167.22 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -140.47 97.56 7.48 Favored Pre-proline 0 CA--C 1.625 3.854 0 C-N-CA 127.385 2.274 . . . . 0.0 107.595 -157.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -85.99 -6.21 8.54 Favored 'Trans proline' 0 N--CA 1.497 1.725 2 C-N-CA 132.313 8.676 . . . . 0.0 129.41 170.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -76.89 11.57 1.7 Allowed 'General case' 0 N--CA 1.514 2.729 1 O-C-N 116.027 -4.17 . . . . 0.0 117.187 164.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 28' ' ' LEU 0.373 3.4 p -149.16 99.78 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.627 3.929 0 CA-C-O 117.112 -1.423 . . . . 0.0 107.961 -151.567 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.423 ' HB ' HG22 ' A' ' 29' ' ' ILE . 48.3 m -61.17 151.77 30.46 Favored 'General case' 0 N--CA 1.533 3.691 0 CA-C-O 125.618 2.628 . . . . 0.0 113.004 160.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -138.87 144.03 39.0 Favored 'General case' 0 C--O 1.201 -1.478 0 C-N-CA 127.126 2.171 . . . . 0.0 111.01 -172.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.466 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.306 1.5 pp -155.08 164.86 38.27 Favored 'General case' 0 CA--C 1.628 3.951 0 CA-C-O 124.834 2.254 . . . . 0.0 108.555 -174.476 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.334 10.3 ptmm? -152.91 107.61 3.18 Favored 'General case' 0 CA--C 1.617 3.537 0 CA-C-N 110.617 -2.992 . . . . 0.0 116.892 -168.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.0 t -92.24 119.55 39.93 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.049 0 C-N-CA 130.806 3.642 . . . . 0.0 106.299 -169.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -69.58 105.51 2.69 Favored 'General case' 0 C--O 1.196 -1.719 0 N-CA-C 103.021 -2.955 . . . . 0.0 103.021 163.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.423 HG11 ' SD ' ' A' ' 80' ' ' MET 0.399 1.1 p -52.47 -39.32 28.65 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.265 0 N-CA-C 120.191 3.404 . . . . 0.0 120.191 178.081 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.34 21.5 m-20 -51.6 -54.66 25.39 Favored 'General case' 0 N--CA 1.536 3.831 0 CA-C-N 112.665 -2.061 . . . . 0.0 111.377 175.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -52.58 -26.74 14.23 Favored 'General case' 0 C--O 1.284 2.912 0 N-CA-C 119.414 3.116 . . . . 0.0 119.414 159.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.3 mt -159.02 53.73 0.41 Allowed 'General case' 0 N--CA 1.507 2.417 0 CA-C-N 125.286 3.675 . . . . 0.0 107.867 -160.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -69.4 -50.22 48.05 Favored 'General case' 0 C--N 1.386 2.194 0 CA-C-N 111.172 -2.74 . . . . 0.0 117.477 171.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.2 -60.27 3.41 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 117.077 -3.514 . . . . 0.0 119.296 174.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.2 p -50.2 -51.19 18.39 Favored 'Isoleucine or valine' 0 C--O 1.295 3.46 0 N-CA-C 117.936 2.569 . . . . 0.0 117.936 164.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.79 -59.27 2.61 Favored 'General case' 0 C--N 1.389 2.324 0 CA-C-O 115.588 -2.149 . . . . 0.0 112.615 171.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -53.71 -46.08 70.64 Favored 'General case' 0 CA--C 1.597 2.772 1 CA-C-O 109.373 -5.108 . . . . 0.0 112.014 173.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.524 0.0 OUTLIER -51.65 -51.23 57.47 Favored 'General case' 0 C--O 1.205 -1.243 1 N-CA-C 124.055 4.835 . . . . 0.0 124.055 171.947 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.321 31.7 m95 -50.95 -53.22 34.83 Favored 'General case' 0 N--CA 1.527 3.38 0 CA-C-O 112.553 -3.594 . . . . 0.0 116.113 162.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 149.69 82.04 0.0 OUTLIER 'General case' 0 CA--C 1.579 2.064 1 O-C-N 130.31 4.756 . . . . 0.0 105.623 150.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . 0.263 61.6 t -130.2 78.72 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 126.521 2.388 . . . . 0.0 109.479 -174.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.312 8.4 pt-20 -71.85 -12.42 61.27 Favored 'General case' 0 N--CA 1.516 2.86 0 N-CA-C 120.942 3.682 . . . . 0.0 120.942 158.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.26 145.49 26.23 Favored 'General case' 0 CA--C 1.576 1.969 0 CA-C-N 114.492 -1.231 . . . . 0.0 113.98 -163.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.536 ' SD ' ' HA ' ' A' ' 34' ' ' THR 0.398 12.2 mmt -73.78 121.96 86.44 Favored Pre-proline 0 C--O 1.305 3.993 0 CA-C-O 113.071 -3.347 . . . . 0.0 105.017 167.742 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.302 67.6 Cg_endo -151.97 150.9 0.0 OUTLIER 'Cis proline' 0 CA--C 1.603 3.971 1 CA-C-O 131.488 4.704 . . . . 0.0 118.619 -17.846 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.9 m -120.43 130.64 54.42 Favored 'General case' 0 CA--C 1.621 3.69 1 CA-C-O 130.591 4.996 . . . . 0.0 105.118 -137.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -119.49 109.67 16.0 Favored 'General case' 0 CA--C 1.61 3.264 0 C-N-CA 130.601 3.56 . . . . 0.0 105.151 -174.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.372 2.7 mt -106.31 137.7 35.41 Favored 'Isoleucine or valine' 1 CA--C 1.64 4.439 0 CA-C-N 109.646 -3.434 . . . . 0.0 106.452 -172.323 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -130.7 105.8 8.05 Favored 'General case' 0 CA--C 1.581 2.162 0 N-CA-C 101.99 -3.337 . . . . 0.0 101.99 -158.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.77 128.18 24.44 Favored 'General case' 0 CA--C 1.571 1.754 0 O-C-N 118.471 -2.643 . . . . 0.0 104.684 -167.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -127.4 175.32 8.3 Favored 'General case' 0 C--N 1.293 -1.854 1 C-N-CA 133.144 4.577 . . . . 0.0 115.624 -172.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -53.56 55.53 0.0 OUTLIER 'General case' 1 N--CA 1.561 5.091 0 O-C-N 120.04 -1.663 . . . . 0.0 114.211 150.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.85 22.95 0.06 OUTLIER Glycine 1 CA--C 1.601 5.435 0 CA-C-O 116.124 -2.486 . . . . 0.0 111.186 177.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.418 ' HG2' ' H ' ' A' ' 91' ' ' LEU 0.556 12.4 ttmt 65.7 -167.15 0.22 Allowed 'General case' 0 CA--C 1.592 2.567 0 CA-C-N 122.269 3.034 . . . . 0.0 117.146 -160.587 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.418 ' H ' ' HG2' ' A' ' 90' ' ' LYS . 55.6 tp -59.44 101.37 0.1 Allowed 'General case' 0 C--O 1.295 3.486 0 CA-C-O 126.618 3.104 . . . . 0.0 113.051 172.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.384 11.1 m -74.96 -40.23 45.31 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.289 0 N-CA-C 119.801 3.26 . . . . 0.0 119.801 171.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -165.33 171.13 13.86 Favored 'General case' 0 CA--C 1.615 3.476 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -171.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.96 137.69 12.15 Favored 'General case' 0 C--N 1.368 1.391 0 CA-C-N 113.742 -1.572 . . . . 0.0 109.69 -173.351 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.3 m -166.98 141.68 3.99 Favored 'General case' 0 C--O 1.262 1.73 0 N-CA-C 100.629 -3.841 . . . . 0.0 100.629 177.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.33 96.37 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.169 1 CA-C-N 108.121 -4.127 . . . . 0.0 109.534 -171.026 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.37 106.99 0.19 Allowed Glycine 0 CA--C 1.552 2.384 0 CA-C-N 111.097 -2.774 . . . . 0.0 116.347 171.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.27 120.1 10.92 Favored 'General case' 0 N--CA 1.505 2.281 0 C-N-CA 125.47 1.508 . . . . 0.0 113.41 168.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -164.06 125.95 2.35 Favored 'General case' 0 C--N 1.394 2.535 0 N-CA-C 103.497 -2.779 . . . . 0.0 103.497 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.368 57.3 pttt -43.41 -51.11 6.7 Favored 'General case' 0 CA--C 1.596 2.738 1 N-CA-C 122.06 4.096 . . . . 0.0 122.06 -179.357 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.366 2.3 p30 -74.9 -51.92 12.59 Favored 'General case' 0 C--O 1.271 2.228 0 C-N-CA 127.324 2.25 . . . . 0.0 116.404 173.074 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -51.07 -48.7 45.55 Favored Glycine 0 C--N 1.365 2.162 0 N-CA-C 118.532 2.173 . . . . 0.0 118.532 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.288 44.9 tp -54.82 -53.16 63.93 Favored Pre-proline 0 CA--C 1.607 3.137 0 C-N-CA 126.364 1.866 . . . . 0.0 114.936 175.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -45.48 -51.18 8.32 Favored 'Trans proline' 0 C--N 1.413 3.971 0 N-CA-C 120.516 3.237 . . . . 0.0 120.516 157.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.255 90.5 m -50.19 -50.93 47.8 Favored 'General case' 0 CA--C 1.622 3.744 0 CA-C-O 113.66 -3.067 . . . . 0.0 117.64 164.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.255 41.4 tp -52.55 -60.83 2.76 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 117.618 2.451 . . . . 0.0 117.618 168.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.3 t -49.7 -50.52 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.274 0 N-CA-C 121.252 3.797 . . . . 0.0 121.252 167.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.84 -53.4 32.56 Favored 'General case' 0 C--O 1.195 -1.812 0 O-C-N 118.826 -2.421 . . . . 0.0 114.23 168.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -47.33 -48.87 25.16 Favored 'General case' 0 C--N 1.408 3.124 0 O-C-N 119.537 -1.977 . . . . 0.0 113.016 162.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.513 16.1 m-70 -56.97 -64.16 0.97 Allowed 'General case' 0 C--N 1.382 2.009 0 N-CA-C 119.585 3.18 . . . . 0.0 119.585 174.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.846 0 O-C-N 128.848 3.842 . . . . 0.0 118.818 169.411 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 . . . . . 0 N--CA 1.5 2.031 1 CA-C-O 129.249 4.357 . . . . 0.0 112.221 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.91 165.22 53.1 Favored Glycine 0 N--CA 1.48 1.624 0 CA-C-N 110.521 -3.036 . . . . 0.0 108.864 164.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -145.61 110.89 5.31 Favored 'General case' 0 CA--C 1.589 2.442 0 CA-C-N 110.308 -2.946 . . . . 0.0 105.748 -161.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.3 t -83.72 131.3 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 C-N-CA 127.533 2.333 . . . . 0.0 111.13 167.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.45 117.32 27.33 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.807 0 N-CA-C 102.619 -3.104 . . . . 0.0 102.619 -170.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.28 137.9 57.85 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 118.722 -2.486 . . . . 0.0 113.936 165.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.477 ' SG ' HD13 ' A' ' 61' ' ' LEU . 82.4 m -141.36 147.31 37.86 Favored 'General case' 0 C--O 1.188 -2.182 0 C-N-CA 129.336 3.054 . . . . 0.0 108.666 -160.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -147.37 -52.2 0.2 Allowed 'General case' 0 N--CA 1.519 3.025 0 O-C-N 120.176 -1.577 . . . . 0.0 112.398 -155.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 p -137.53 -166.41 1.94 Allowed 'General case' 0 CA--C 1.591 2.544 0 C-N-CA 127.535 2.334 . . . . 0.0 111.278 -155.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 p -54.65 -20.07 4.86 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.979 0 N-CA-C 118.33 2.715 . . . . 0.0 118.33 160.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -56.22 -39.37 72.37 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 117.719 -3.113 . . . . 0.0 118.436 164.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.397 0.6 OUTLIER -60.2 -39.4 86.42 Favored 'General case' 0 CA--C 1.579 2.067 0 N-CA-C 118.497 2.777 . . . . 0.0 118.497 158.493 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -50.94 -41.64 59.19 Favored 'General case' 0 CA--C 1.577 2.017 0 O-C-N 128.003 3.314 . . . . 0.0 116.218 171.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -64.49 -40.86 96.46 Favored 'General case' 0 CA--C 1.582 2.196 1 N-CA-C 122.136 4.125 . . . . 0.0 122.136 160.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -58.27 -58.85 6.68 Favored 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 116.786 2.143 . . . . 0.0 116.786 169.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -58.37 -59.64 5.03 Favored 'General case' 0 C--O 1.201 -1.489 1 C-N-CA 131.845 4.058 . . . . 0.0 116.119 -177.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.383 85.8 t80 -57.48 -55.86 29.36 Favored 'General case' 0 N--CA 1.522 3.148 0 N-CA-C 120.347 3.462 . . . . 0.0 120.347 172.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -56.94 -53.69 55.13 Favored 'General case' 0 N--CA 1.514 2.753 0 O-C-N 126.348 2.28 . . . . 0.0 114.135 171.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.277 27.1 mmtp -54.44 -62.25 1.78 Allowed 'General case' 0 N--CA 1.51 2.556 0 CA-C-N 123.051 2.66 . . . . 0.0 112.6 167.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -37.59 -95.99 0.01 OUTLIER Glycine 1 CA--C 1.587 4.58 0 C-N-CA 128.603 3.002 . . . . 0.0 113.129 176.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -74.84 99.18 3.7 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 123.445 1.593 . . . . 0.0 109.173 162.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.65 -26.54 0.46 Allowed Glycine 1 CA--C 1.584 4.371 0 CA-C-O 126.159 3.088 . . . . 0.0 116.801 159.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.6 m -123.31 118.33 27.3 Favored 'General case' 0 CA--C 1.571 1.784 0 C-N-CA 131.623 3.969 . . . . 0.0 107.517 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.264 1.8 mp0 -59.16 70.31 0.01 OUTLIER 'General case' 1 N--CA 1.539 4.001 0 CA-C-N 110.073 -3.24 . . . . 0.0 113.779 176.069 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -158.26 155.95 29.82 Favored 'General case' 0 C--N 1.29 -2.02 0 CA-C-O 125.135 2.398 . . . . 0.0 105.073 -177.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 tp -71.35 150.57 44.96 Favored 'General case' 0 C--O 1.197 -1.682 0 C-N-CA 126.767 2.027 . . . . 0.0 110.579 154.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.251 1.4 pt -142.08 132.47 24.69 Favored 'Isoleucine or valine' 0 C--O 1.265 1.912 0 N-CA-C 101.216 -3.624 . . . . 0.0 101.216 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -138.28 129.7 37.42 Favored 'Isoleucine or valine' 1 N--CA 1.54 4.038 0 O-C-N 117.891 -3.006 . . . . 0.0 102.937 -167.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.335 2.6 p -140.84 111.55 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.166 0 CA-C-O 125.221 2.438 . . . . 0.0 110.138 -159.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -76.47 108.16 9.25 Favored 'General case' 0 N--CA 1.499 2.003 0 C-N-CA 128.911 2.885 . . . . 0.0 111.464 167.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -87.31 114.01 23.54 Favored 'General case' 0 N--CA 1.509 2.489 0 O-C-N 125.827 1.954 . . . . 0.0 108.961 156.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.693 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 11.4 t -153.79 155.27 35.53 Favored 'General case' 0 CA--C 1.56 1.359 0 CA-C-N 111.514 -2.585 . . . . 0.0 104.371 -175.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.07 146.53 25.45 Favored 'General case' 0 C--N 1.251 -3.693 0 C-N-CA 129.825 3.25 . . . . 0.0 108.788 173.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -42.41 -46.32 4.66 Favored 'General case' 1 N--CA 1.573 5.712 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 171.13 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 -72.3 89.4 1.21 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.705 2.002 . . . . 0.0 113.125 166.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.8 t -165.68 82.01 1.1 Allowed Pre-proline 0 N--CA 1.488 1.474 0 C-N-CA 128.243 2.617 . . . . 0.0 109.1 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -53.62 -42.69 63.95 Favored 'Trans proline' 0 CA--C 1.554 1.485 0 C-N-CA 123.735 2.957 . . . . 0.0 118.922 167.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -51.24 -58.88 1.38 Allowed 'Trans proline' 1 C--N 1.416 4.131 0 C-N-CA 125.26 3.973 . . . . 0.0 112.194 163.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.299 62.8 m -55.46 -21.86 18.07 Favored 'General case' 0 C--O 1.272 2.251 0 N-CA-C 120.989 3.7 . . . . 0.0 120.989 162.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -53.81 -56.62 15.93 Favored 'General case' 0 CA--C 1.564 1.497 0 O-C-N 116.833 -3.667 . . . . 0.0 111.048 162.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.374 2.1 ptt? -64.03 -40.65 96.79 Favored 'General case' 0 N--CA 1.535 3.78 0 N-CA-C 118.59 2.811 . . . . 0.0 118.59 161.218 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.344 1.0 OUTLIER -56.9 -35.53 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.697 0 O-C-N 117.655 -3.153 . . . . 0.0 116.36 169.336 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.394 . . -50.33 -57.31 13.35 Favored Pre-proline 0 C--N 1.383 2.035 0 O-C-N 119.282 -2.137 . . . . 0.0 115.569 166.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -49.16 -43.76 35.69 Favored 'Trans proline' 1 CA--C 1.62 4.814 0 C-N-CA 124.508 3.472 . . . . 0.0 117.437 162.256 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.361 30.3 mm -50.16 -64.04 0.35 Allowed 'Isoleucine or valine' 1 N--CA 1.543 4.187 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 162.695 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.285 3.1 t80 -41.81 -49.65 4.39 Favored 'General case' 0 CA--C 1.57 1.718 0 CA-C-O 112.455 -3.64 . . . . 0.0 116.784 169.123 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.72 -52.17 63.3 Favored 'General case' 0 CA--C 1.565 1.522 1 N-CA-C 123.957 4.799 . . . . 0.0 123.957 160.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.384 15.1 tt0 -50.89 -56.34 12.73 Favored 'General case' 1 N--CA 1.545 4.279 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 171.269 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.257 1.9 tm? -54.86 -42.26 71.79 Favored 'General case' 0 CA--C 1.585 2.321 0 N-CA-C 118.233 2.679 . . . . 0.0 118.233 169.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.7 -53.19 19.82 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 118.472 -2.643 . . . . 0.0 112.686 161.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -55.13 -38.26 67.97 Favored 'General case' 0 N--CA 1.529 3.517 0 N-CA-C 120.812 3.634 . . . . 0.0 120.812 169.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.299 36.7 ttmt -61.83 -35.12 77.31 Favored 'General case' 0 CA--C 1.616 3.51 0 N-CA-C 116.693 2.109 . . . . 0.0 116.693 173.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -128.46 100.77 22.05 Favored Pre-proline 0 CA--C 1.6 2.89 0 C-N-CA 127.248 2.219 . . . . 0.0 106.928 -158.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.255 25.0 Cg_endo -65.95 -26.4 51.41 Favored 'Trans proline' 1 CA--C 1.67 7.313 2 C-N-CA 129.729 6.952 . . . . 0.0 126.358 171.126 . . . . . . . . 4 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -74.38 2.56 9.12 Favored 'General case' 0 CA--C 1.609 3.237 0 C-N-CA 128.09 2.556 . . . . 0.0 116.966 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.5 p -147.18 115.34 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.612 3.335 0 CA-C-O 124.325 2.012 . . . . 0.0 109.108 -157.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.2 m -73.28 156.05 38.86 Favored 'General case' 0 CA--C 1.581 2.155 0 CA-C-O 124.594 2.14 . . . . 0.0 112.987 164.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -145.79 130.13 17.69 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-O 124.165 1.936 . . . . 0.0 110.909 -168.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.477 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.426 0.4 OUTLIER -148.03 144.97 28.28 Favored 'General case' 1 N--CA 1.555 4.802 0 CA-C-O 126.556 3.074 . . . . 0.0 109.932 -170.187 . . . . . . . . 5 4 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.272 10.9 ptmm? -145.27 119.87 9.77 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 126.546 3.07 . . . . 0.0 110.284 -162.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.7 t -122.15 121.12 63.17 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.429 0 C-N-CA 129.821 3.248 . . . . 0.0 113.189 -160.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -59.48 101.69 0.11 Allowed 'General case' 0 C--N 1.363 1.193 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.009 156.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.441 HG11 ' SD ' ' A' ' 80' ' ' MET 0.271 1.4 p -59.79 -36.23 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.091 0 C-N-CA 131.167 3.787 . . . . 0.0 117.518 170.461 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.341 2.4 m-20 -46.72 -47.11 20.6 Favored 'General case' 0 CA--C 1.586 2.352 1 O-C-N 115.935 -4.228 . . . . 0.0 119.28 163.61 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.37 -22.84 65.55 Favored 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 118.949 2.944 . . . . 0.0 118.949 169.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.9 mt -149.3 56.58 1.0 Allowed 'General case' 0 N--CA 1.488 1.438 0 O-C-N 118.452 -2.655 . . . . 0.0 113.268 -168.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.328 2.4 ptpt -81.05 -50.74 9.29 Favored 'General case' 0 CA--C 1.615 3.471 0 C-N-CA 127.991 2.516 . . . . 0.0 111.605 176.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.271 . . -48.83 -51.33 30.1 Favored 'General case' 0 N--CA 1.513 2.721 0 N-CA-C 118.496 2.776 . . . . 0.0 118.496 175.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.407 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 8.2 p -66.82 -43.69 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.5 0 CA-C-O 115.134 -2.365 . . . . 0.0 115.182 167.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.38 -56.48 4.19 Favored 'General case' 0 C--O 1.271 2.21 0 CA-C-N 125.441 3.746 . . . . 0.0 116.081 169.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -50.38 -57.31 8.25 Favored 'General case' 0 CA--C 1.575 1.927 0 CA-C-N 110.334 -3.121 . . . . 0.0 110.017 173.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.407 ' HG2' ' HA ' ' A' ' 71' ' ' VAL 0.387 0.1 OUTLIER -44.25 -50.13 9.0 Favored 'General case' 0 C--O 1.275 2.426 0 O-C-N 128.526 3.641 . . . . 0.0 119.178 176.521 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -67.31 -31.83 72.4 Favored 'General case' 0 N--CA 1.499 1.989 1 N-CA-C 123.502 4.63 . . . . 0.0 123.502 166.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.598 10.4 t-20 146.84 78.58 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.911 0 CA-C-O 122.935 1.35 . . . . 0.0 112.886 149.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.2 t -149.19 112.93 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.518 2.939 0 O-C-N 118.538 -2.602 . . . . 0.0 109.133 -163.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -104.04 -24.01 13.26 Favored 'General case' 0 CA--C 1.614 3.43 0 CA-C-N 110.958 -2.837 . . . . 0.0 108.968 169.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -151.89 148.35 27.68 Favored 'General case' 0 C--N 1.407 3.107 0 CA-C-N 123.525 2.875 . . . . 0.0 103.48 -154.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.693 ' SD ' ' HA ' ' A' ' 34' ' ' THR . 33.8 mmt -73.66 131.48 82.08 Favored Pre-proline 0 CA--C 1.595 2.689 0 CA-C-O 114.692 -2.575 . . . . 0.0 109.621 166.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -142.97 144.64 0.0 OUTLIER 'Cis proline' 0 C--O 1.194 -1.701 1 N-CA-C 124.986 4.956 . . . . 0.0 124.986 -18.901 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -122.52 129.82 52.38 Favored 'General case' 1 N--CA 1.54 4.072 1 CA-C-N 107.107 -4.588 . . . . 0.0 110.034 -136.911 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -119.71 122.38 41.32 Favored 'General case' 1 N--CA 1.567 5.418 1 N-CA-C 93.598 -6.445 . . . . 0.0 93.598 -167.911 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.54 137.21 55.95 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.955 1 CA-C-N 107.537 -4.392 . . . . 0.0 102.226 -178.544 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -126.04 101.07 6.62 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 101.976 -3.342 . . . . 0.0 101.976 -158.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.19 122.19 29.24 Favored 'General case' 0 CA--C 1.607 3.15 0 N-CA-C 100.911 -3.736 . . . . 0.0 100.911 -172.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.32 31.9 tttp -110.54 -176.21 2.92 Favored 'General case' 0 CA--C 1.623 3.753 0 CA-C-O 124.854 2.264 . . . . 0.0 105.402 178.132 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -64.64 58.21 0.02 OUTLIER 'General case' 0 CA--C 1.578 2.028 0 CA-C-N 110.71 -2.95 . . . . 0.0 115.501 152.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.02 38.5 0.13 Allowed Glycine 0 C--N 1.381 3.052 0 O-C-N 117.216 -3.427 . . . . 0.0 108.288 175.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.444 3.6 ttmt 48.69 -162.55 0.03 OUTLIER 'General case' 0 N--CA 1.525 3.3 1 N-CA-C 122.129 4.122 . . . . 0.0 122.129 -159.566 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.6 tp -60.25 99.08 0.07 Allowed 'General case' 0 N--CA 1.505 2.322 0 C-N-CA 131.144 3.778 . . . . 0.0 108.525 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.36 16.0 m -76.9 -50.97 19.88 Favored 'Isoleucine or valine' 1 N--CA 1.544 4.245 1 CA-C-O 109.652 -4.975 . . . . 0.0 110.807 168.586 . . . . . . . . 4 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.08 167.48 4.92 Favored 'General case' 0 CA--C 1.628 3.98 1 CA-C-N 127.982 4.901 . . . . 0.0 112.692 -175.123 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.89 151.94 36.74 Favored 'General case' 0 N--CA 1.513 2.707 1 CA-C-O 129.461 4.458 . . . . 0.0 111.431 -172.41 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.1 m -158.17 98.3 1.57 Allowed 'General case' 0 C--O 1.257 1.497 0 O-C-N 118.404 -2.685 . . . . 0.0 107.163 -175.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.73 99.86 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.628 3.966 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 163.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 164.34 99.24 0.14 Allowed Glycine 0 CA--C 1.561 2.907 0 CA-C-O 114.153 -3.582 . . . . 0.0 112.981 164.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -50.75 115.63 1.59 Allowed 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 127.895 2.478 . . . . 0.0 117.443 165.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -160.5 114.98 2.19 Favored 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 104.987 -2.227 . . . . 0.0 104.987 -171.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -48.57 -45.1 37.29 Favored 'General case' 0 C--N 1.291 -1.978 1 N-CA-C 122.104 4.113 . . . . 0.0 122.104 -174.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.338 3.1 p-10 -79.18 -49.27 12.82 Favored 'General case' 0 CA--C 1.612 3.363 0 C-N-CA 126.777 2.031 . . . . 0.0 110.414 167.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -45.95 -57.01 6.4 Favored Glycine 0 N--CA 1.508 3.456 1 N-CA-C 124.634 4.614 . . . . 0.0 124.634 175.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.256 52.7 tp -50.74 -55.85 23.74 Favored Pre-proline 0 CA--C 1.57 1.713 0 N-CA-C 119.625 3.194 . . . . 0.0 119.625 168.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.3 -28.33 52.3 Favored 'Trans proline' 0 CA--C 1.569 2.269 1 C-N-CA 125.563 4.175 . . . . 0.0 122.216 162.287 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 61.9 m -53.57 -57.69 9.82 Favored 'General case' 0 N--CA 1.519 3.011 0 C-N-CA 125.875 1.67 . . . . 0.0 114.717 161.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.405 54.4 tp -57.11 -46.76 82.34 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 120.922 3.675 . . . . 0.0 120.922 173.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 39.2 t -59.68 -42.64 89.2 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.484 0 N-CA-C 116.786 2.143 . . . . 0.0 116.786 163.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.87 -53.31 59.4 Favored 'General case' 0 N--CA 1.523 3.187 0 C-N-CA 128.412 2.685 . . . . 0.0 113.221 173.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -53.94 -49.61 68.31 Favored 'General case' 0 N--CA 1.482 1.137 1 N-CA-C 122.009 4.077 . . . . 0.0 122.009 164.125 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -55.84 -52.98 62.14 Favored 'General case' 0 C--N 1.403 2.894 0 N-CA-C 118.295 2.702 . . . . 0.0 118.295 161.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.51 2.537 0 O-C-N 126.386 2.304 . . . . 0.0 116.125 172.54 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.369 6.9 pt-20 . . . . . 0 CA--C 1.559 1.297 0 CA-C-O 124.998 2.333 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.1 170.62 19.7 Favored Glycine 0 N--CA 1.506 3.316 0 CA-C-N 113.34 -1.754 . . . . 0.0 114.205 165.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -152.43 113.14 4.14 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 103.827 -2.657 . . . . 0.0 103.827 -172.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.1 t -77.06 131.62 34.44 Favored 'Isoleucine or valine' 0 CA--C 1.627 3.904 0 C-N-CA 127.431 2.292 . . . . 0.0 105.901 166.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.363 0.3 OUTLIER -130.51 131.7 64.95 Favored 'Isoleucine or valine' 0 C--N 1.368 1.405 0 C-N-CA 128.075 2.55 . . . . 0.0 108.835 -178.167 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.58 142.51 57.46 Favored 'General case' 0 CA--C 1.574 1.903 0 CA-C-O 124.906 2.289 . . . . 0.0 115.285 163.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.433 ' SG ' HD13 ' A' ' 61' ' ' LEU . 89.3 m -148.23 134.41 19.37 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 117.792 -3.068 . . . . 0.0 111.399 -170.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . 0.391 30.9 m80 -134.11 -38.21 0.87 Allowed 'General case' 0 CA--C 1.605 3.076 0 CA-C-N 110.797 -2.91 . . . . 0.0 117.517 -155.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.7 p -144.98 -170.51 3.43 Favored 'General case' 0 C--O 1.193 -1.912 0 CA-C-O 125.741 2.686 . . . . 0.0 111.412 -158.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 p -53.95 -19.76 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.34 0 N-CA-C 119.726 3.232 . . . . 0.0 119.726 157.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.91 -43.87 63.58 Favored 'General case' 0 C--N 1.403 2.911 0 O-C-N 117.8 -3.062 . . . . 0.0 115.096 162.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.404 0.6 OUTLIER -56.96 -38.23 72.67 Favored 'General case' 0 N--CA 1.523 3.216 0 C-N-CA 125.183 1.393 . . . . 0.0 114.541 170.166 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -51.79 -46.9 64.38 Favored 'General case' 0 N--CA 1.523 3.176 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 164.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -51.71 -62.19 1.78 Allowed 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 159.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -52.79 -63.03 1.28 Allowed 'General case' 0 N--CA 1.52 3.041 0 N-CA-C 118.374 2.731 . . . . 0.0 118.374 174.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -53.41 -62.59 1.55 Allowed 'General case' 1 N--CA 1.549 4.493 0 C-N-CA 128.408 2.683 . . . . 0.0 113.444 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.6 1.1 t80 -59.05 -60.33 4.04 Favored 'General case' 0 C--N 1.287 -2.125 0 C-N-CA 128.237 2.615 . . . . 0.0 113.826 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.362 13.3 mm-40 -51.04 -59.99 3.57 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 176.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -52.76 -63.04 1.28 Allowed 'General case' 0 N--CA 1.506 2.335 0 O-C-N 118.024 -2.923 . . . . 0.0 112.479 166.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -35.8 -84.77 0.01 OUTLIER Glycine 0 CA--C 1.565 3.166 0 N-CA-C 120.14 2.816 . . . . 0.0 120.14 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -79.33 107.91 12.44 Favored 'General case' 0 CA--C 1.576 1.953 0 CA-C-O 127.084 3.326 . . . . 0.0 108.71 151.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.46 -38.78 0.36 Allowed Glycine 1 CA--C 1.618 6.521 0 CA-C-N 110.531 -3.031 . . . . 0.0 115.355 168.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.7 m -126.3 128.77 47.65 Favored 'General case' 0 C--O 1.267 1.983 0 O-C-N 127.922 2.778 . . . . 0.0 105.939 -166.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -62.77 77.51 0.02 OUTLIER 'General case' 0 CA--C 1.58 2.114 0 CA-C-O 128.081 3.801 . . . . 0.0 118.035 165.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -162.08 176.99 10.13 Favored 'General case' 0 CA--C 1.588 2.409 1 CA-C-N 108.138 -4.119 . . . . 0.0 112.081 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.9 tp -110.65 151.12 28.06 Favored 'General case' 0 C--O 1.264 1.863 0 C-N-CA 130.198 3.399 . . . . 0.0 107.234 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.299 1.7 pt -151.15 134.02 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 129.292 3.037 . . . . 0.0 107.212 -175.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.7 t -132.26 136.76 55.87 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.28 0 O-C-N 127.881 3.238 . . . . 0.0 103.488 -161.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.44 3.3 p -152.47 106.74 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 117.106 -3.496 . . . . 0.0 112.38 -161.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -65.14 126.78 29.18 Favored 'General case' 0 N--CA 1.406 -2.667 0 CA-C-O 125.205 2.431 . . . . 0.0 113.304 161.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -110.99 111.43 22.54 Favored 'General case' 0 CA--C 1.577 2.009 0 N-CA-C 100.831 -3.766 . . . . 0.0 100.831 169.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.8 t -157.84 145.19 18.3 Favored 'General case' 0 CA--C 1.608 3.181 0 CA-C-O 125.019 2.343 . . . . 0.0 107.334 -172.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.35 130.4 35.15 Favored 'General case' 0 C--N 1.262 -3.236 0 CA-C-N 108.885 -3.78 . . . . 0.0 106.28 174.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.6 t -46.93 -42.24 17.37 Favored 'General case' 0 CA--C 1.587 2.381 0 C-N-CA 125.64 1.576 . . . . 0.0 114.584 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -70.96 88.73 0.76 Allowed 'General case' 0 C--O 1.276 2.464 0 C-N-CA 128.68 2.792 . . . . 0.0 109.173 160.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.8 t -171.44 91.89 0.44 Allowed Pre-proline 0 CA--C 1.595 2.684 0 CA-C-N 110.121 -3.218 . . . . 0.0 109.464 174.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -52.54 -40.24 72.85 Favored 'Trans proline' 1 CA--C 1.604 4.012 0 N-CA-C 118.761 2.562 . . . . 0.0 118.761 158.046 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.308 34.4 Cg_exo -42.38 -61.45 0.53 Allowed 'Trans proline' 0 C--N 1.399 3.23 0 C-N-CA 124.833 3.689 . . . . 0.0 120.349 160.123 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.506 ' HA ' HG22 ' A' ' 44' ' ' ILE 0.415 76.3 m -58.66 -38.83 78.99 Favored 'General case' 0 C--N 1.362 1.143 1 N-CA-C 122.253 4.168 . . . . 0.0 122.253 161.611 . . . . . . . . 4 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -43.78 -43.16 5.97 Favored 'General case' 0 CA--C 1.604 3.032 0 N-CA-C 118.675 2.843 . . . . 0.0 118.675 166.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.331 21.5 ptt? -70.15 -41.55 73.7 Favored 'General case' 0 CA--C 1.578 2.027 0 C-N-CA 125.248 1.419 . . . . 0.0 113.435 166.004 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.506 HG22 ' HA ' ' A' ' 41' ' ' CYS 0.397 1.1 tp -52.97 -39.9 34.46 Favored 'Isoleucine or valine' 0 C--O 1.266 1.972 0 O-C-N 117.947 -2.97 . . . . 0.0 117.165 168.242 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.473 . . -44.53 -59.1 4.29 Favored Pre-proline 1 CA--C 1.649 4.757 0 O-C-N 118.367 -2.708 . . . . 0.0 113.109 166.043 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -54.15 -38.52 87.73 Favored 'Trans proline' 0 CA--C 1.576 2.59 0 N-CA-C 120.536 3.245 . . . . 0.0 120.536 159.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.548 HG21 ' HA ' ' A' ' 100' ' ' LYS 0.622 29.8 mm -55.55 -53.72 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 118.532 -2.605 . . . . 0.0 116.945 165.362 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.291 8.3 t80 -54.01 -51.03 65.25 Favored 'General case' 0 N--CA 1.51 2.53 0 C-N-CA 126.848 2.059 . . . . 0.0 112.369 171.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.267 . . -51.09 -52.32 44.74 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 121.249 3.796 . . . . 0.0 121.249 168.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -52.93 -54.67 31.47 Favored 'General case' 0 CA--C 1.591 2.533 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 169.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.493 HD11 HG21 ' A' ' 107' ' ' VAL . 0.5 OUTLIER -53.4 -44.99 69.14 Favored 'General case' 0 CA--C 1.597 2.785 0 C-N-CA 126.506 1.922 . . . . 0.0 115.999 170.805 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.52 -37.41 49.14 Favored 'General case' 0 CA--C 1.562 1.43 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 165.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . 0.277 94.0 mttt -61.57 -46.91 87.88 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 117.597 2.443 . . . . 0.0 117.597 164.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -53.53 -37.28 62.67 Favored 'General case' 0 CA--C 1.599 2.851 0 N-CA-C 119.656 3.206 . . . . 0.0 119.656 171.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -129.89 104.17 17.08 Favored Pre-proline 0 CA--C 1.577 1.992 0 C-N-CA 129.252 3.021 . . . . 0.0 108.533 -153.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.453 12.3 Cg_endo -71.51 -39.84 3.38 Favored 'Trans proline' 0 CA--C 1.581 2.845 2 C-N-CA 130.646 7.564 . . . . 0.0 126.587 171.792 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.282 10.3 p30 -63.89 10.5 0.05 Allowed 'General case' 0 N--CA 1.527 3.406 0 N-CA-C 118.61 2.818 . . . . 0.0 118.61 174.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.354 4.3 p -148.27 113.06 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.589 2.447 0 C-N-CA 123.564 0.746 . . . . 0.0 110.19 -158.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.1 m -73.63 153.6 40.09 Favored 'General case' 0 C--N 1.379 1.884 0 CA-C-O 128.474 3.988 . . . . 0.0 106.879 161.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -139.84 136.55 34.12 Favored 'General case' 0 N--CA 1.515 2.818 1 CA-C-O 129.164 4.316 . . . . 0.0 104.731 -175.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.433 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.395 0.5 OUTLIER -152.5 157.64 41.42 Favored 'General case' 0 CA--C 1.598 2.805 0 CA-C-N 110.52 -3.036 . . . . 0.0 108.153 -172.369 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -156.48 112.76 3.04 Favored 'General case' 0 N--CA 1.502 2.156 0 CA-C-O 124.363 2.03 . . . . 0.0 105.945 -166.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.8 t -88.07 119.59 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 C-N-CA 130.11 3.364 . . . . 0.0 110.704 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -65.14 107.47 1.56 Allowed 'General case' 0 C--O 1.299 3.668 0 O-C-N 125.513 1.758 . . . . 0.0 113.509 156.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.281 0.4 OUTLIER -56.69 -37.88 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 119.185 3.032 . . . . 0.0 119.185 178.69 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.81 -40.56 55.85 Favored 'General case' 0 N--CA 1.529 3.507 0 N-CA-C 119.588 3.181 . . . . 0.0 119.588 168.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.3 24.9 mt-10 -67.15 -32.91 74.35 Favored 'General case' 0 CA--C 1.598 2.816 1 N-CA-C 121.87 4.026 . . . . 0.0 121.87 162.26 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.9 mt -152.28 66.33 0.83 Allowed 'General case' 0 C--N 1.387 2.201 0 CA-C-O 125.339 2.495 . . . . 0.0 109.19 -164.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -93.47 -37.64 11.84 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 110.77 -2.923 . . . . 0.0 108.75 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.55 -68.1 0.23 Allowed 'General case' 0 C--O 1.274 2.375 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 170.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.305 4.2 p -46.3 -58.9 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.603 2.993 0 N-CA-C 120.994 3.702 . . . . 0.0 120.994 160.126 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.24 -51.76 2.69 Favored 'General case' 0 C--N 1.388 2.268 0 N-CA-C 118.531 2.789 . . . . 0.0 118.531 174.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.67 -50.31 68.54 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 113.818 -2.991 . . . . 0.0 114.927 168.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.513 1.1 pt-20 -44.2 -52.14 7.63 Favored 'General case' 0 C--N 1.41 3.224 0 N-CA-C 118.966 2.95 . . . . 0.0 118.966 172.397 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.401 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 27.1 m95 -59.3 -53.79 54.21 Favored 'General case' 0 CA--C 1.613 3.38 0 O-C-N 125.302 1.626 . . . . 0.0 113.541 174.153 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 75' ' ' TRP . 12.0 t-20 155.87 88.53 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 127.133 2.771 . . . . 0.0 107.565 158.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.7 t -151.98 74.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.372 1.563 0 CA-C-O 128.271 3.891 . . . . 0.0 101.062 -174.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -68.6 -6.21 24.37 Favored 'General case' 0 C--N 1.404 2.94 2 N-CA-C 125.311 5.3 . . . . 0.0 125.311 140.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.92 141.65 27.98 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-O 125.015 2.34 . . . . 0.0 107.495 -158.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.46 ' CE ' ' HA ' ' A' ' 80' ' ' MET . 28.6 mmt -96.27 112.71 60.65 Favored Pre-proline 1 CA--C 1.636 4.286 0 C-N-CA 131.423 3.889 . . . . 0.0 104.485 175.075 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.328 62.5 Cg_endo -153.7 149.12 0.0 OUTLIER 'Cis proline' 0 C--O 1.274 2.277 0 N-CA-C 121.411 3.581 . . . . 0.0 121.411 3.302 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.8 m -123.09 138.66 54.61 Favored 'General case' 0 C--O 1.183 -2.432 0 C-N-CA 130.809 3.644 . . . . 0.0 114.249 -142.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -127.53 121.42 30.62 Favored 'General case' 0 CA--C 1.623 3.787 1 N-CA-C 100.02 -4.067 . . . . 0.0 100.02 -163.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.449 2.2 mt -128.35 135.74 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.85 3 O-C-N 129.584 4.303 . . . . 0.0 108.989 -166.116 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -135.89 107.54 6.99 Favored 'General case' 0 CA--C 1.623 3.753 1 N-CA-C 100.019 -4.067 . . . . 0.0 100.019 -153.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.58 127.16 30.71 Favored 'General case' 0 N--CA 1.499 1.983 1 N-CA-C 98.577 -4.601 . . . . 0.0 98.577 -170.608 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -130.37 -175.43 3.64 Favored 'General case' 0 CA--C 1.589 2.455 0 CA-C-N 109.576 -3.465 . . . . 0.0 104.677 -169.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -65.78 46.96 0.03 OUTLIER 'General case' 1 CA--C 1.675 5.751 0 N-CA-C 116.531 2.049 . . . . 0.0 116.531 163.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 176.89 51.4 0.06 OUTLIER Glycine 0 C--N 1.293 -1.825 0 CA-C-N 112.942 -1.936 . . . . 0.0 113.179 172.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.452 7.0 ttmt 55.25 -162.09 0.15 Allowed 'General case' 0 N--CA 1.526 3.362 0 N-CA-C 117.923 2.564 . . . . 0.0 117.923 -173.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.3 tp -56.1 97.94 0.02 OUTLIER 'General case' 0 C--N 1.273 -2.733 0 CA-C-O 124.705 2.193 . . . . 0.0 109.954 175.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.422 4.6 m -69.27 -43.37 81.33 Favored 'Isoleucine or valine' 0 C--O 1.254 1.32 1 N-CA-C 123.219 4.525 . . . . 0.0 123.219 163.046 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.55 161.77 29.98 Favored 'General case' 1 N--CA 1.572 5.635 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 -172.904 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.33 139.21 11.77 Favored 'General case' 0 C--N 1.384 2.101 0 CA-C-O 123.217 1.484 . . . . 0.0 107.62 -171.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.2 m -154.9 157.26 37.52 Favored 'General case' 0 N--CA 1.502 2.159 0 N-CA-C 102.205 -3.257 . . . . 0.0 102.205 -172.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.9 p -151.69 102.26 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.611 3.308 0 N-CA-C 102.389 -3.189 . . . . 0.0 102.389 -169.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 160.79 112.88 0.3 Allowed Glycine 0 N--CA 1.508 3.439 0 CA-C-O 114.694 -3.281 . . . . 0.0 107.681 162.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.94 124.78 15.09 Favored 'General case' 0 C--N 1.382 2.019 0 O-C-N 126.844 2.144 . . . . 0.0 115.897 166.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -160.75 125.52 3.68 Favored 'General case' 0 C--N 1.376 1.731 0 C-N-CA 125.975 1.71 . . . . 0.0 111.349 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.548 ' HA ' HG21 ' A' ' 47' ' ' ILE 0.416 19.9 pttt -39.68 -66.1 0.33 Allowed 'General case' 0 N--CA 1.531 3.608 1 N-CA-C 122.23 4.159 . . . . 0.0 122.23 165.225 . . . . . . . . 4 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.4 -47.83 84.39 Favored 'General case' 0 C--N 1.376 1.754 0 C-N-CA 125.697 1.599 . . . . 0.0 114.365 171.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -39.35 -76.55 0.08 OUTLIER Glycine 0 CA--C 1.576 3.85 0 C-N-CA 129.037 3.208 . . . . 0.0 117.914 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.253 28.4 tp -52.01 -50.65 77.28 Favored Pre-proline 0 N--CA 1.508 2.471 1 N-CA-C 123.319 4.563 . . . . 0.0 123.319 174.031 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -45.27 -40.74 16.93 Favored 'Trans proline' 0 N--CA 1.528 3.535 0 N-CA-C 118.06 2.292 . . . . 0.0 118.06 157.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.0 m -67.03 -54.27 23.27 Favored 'General case' 1 N--CA 1.551 4.624 0 C-N-CA 127.079 2.152 . . . . 0.0 113.815 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.268 55.5 tp -53.74 -51.36 63.59 Favored 'General case' 0 C--O 1.196 -1.759 0 C-N-CA 127.697 2.399 . . . . 0.0 116.387 171.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.493 HG21 HD11 ' A' ' 51' ' ' LEU . 79.6 t -58.84 -51.73 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.532 3.669 0 C-N-CA 125.532 1.533 . . . . 0.0 110.699 168.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.3 -48.97 6.87 Favored 'General case' 0 C--O 1.264 1.828 0 CA-C-N 122.314 2.325 . . . . 0.0 117.224 170.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -59.13 -42.58 90.94 Favored 'General case' 0 C--O 1.196 -1.744 1 N-CA-C 122.721 4.341 . . . . 0.0 122.721 165.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.328 4.7 m-70 -63.01 -61.35 2.45 Favored 'General case' 0 N--CA 1.532 3.626 0 N-CA-C 119.266 3.061 . . . . 0.0 119.266 172.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.525 3.296 1 N-CA-C 124.011 4.819 . . . . 0.0 124.011 171.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 CA--C 1.573 1.842 0 CA-C-O 124.903 2.287 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.94 177.54 52.06 Favored Glycine 0 C--N 1.368 2.354 0 CA-C-N 110.468 -3.06 . . . . 0.0 114.478 165.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -152.22 117.6 5.29 Favored 'General case' 0 N--CA 1.521 3.109 0 N-CA-C 102.504 -3.147 . . . . 0.0 102.504 -160.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.6 t -98.55 119.33 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 CA-C-N 111.275 -2.693 . . . . 0.0 110.151 174.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.259 0.3 OUTLIER -130.79 129.66 63.99 Favored 'Isoleucine or valine' 0 CA--C 1.628 3.959 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 -171.377 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.23 138.39 57.64 Favored 'General case' 0 CA--C 1.553 1.074 0 O-C-N 127.766 3.166 . . . . 0.0 114.285 164.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 68.4 m -138.7 143.5 39.16 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 111.459 -2.609 . . . . 0.0 107.617 -172.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -134.61 -38.01 0.83 Allowed 'General case' 0 CA--C 1.586 2.356 0 CA-C-N 109.242 -3.617 . . . . 0.0 113.878 -156.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.415 ' O ' HG22 ' A' ' 14' ' ' THR . 44.7 p -152.32 -166.73 2.56 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 117.86 -3.025 . . . . 0.0 108.815 -162.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.6 p -51.68 -16.66 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.528 3.473 0 N-CA-C 117.49 2.404 . . . . 0.0 117.49 160.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.37 -47.1 37.58 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 118.472 2.768 . . . . 0.0 118.472 156.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 11' ' ' THR 0.385 0.9 OUTLIER -56.21 -42.93 78.01 Favored 'General case' 1 N--CA 1.54 4.049 0 N-CA-C 117.804 2.52 . . . . 0.0 117.804 166.596 . . . . . . . . 5 4 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -53.73 -38.98 64.9 Favored 'General case' 0 CA--C 1.626 3.903 0 O-C-N 125.31 1.632 . . . . 0.0 113.531 171.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -66.2 -51.86 53.62 Favored 'General case' 0 CA--C 1.608 3.207 0 CA-C-N 121.155 1.798 . . . . 0.0 112.618 161.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.65 -64.23 0.88 Allowed 'General case' 0 CA--C 1.58 2.098 0 N-CA-C 119.57 3.174 . . . . 0.0 119.57 173.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -53.06 -57.41 10.48 Favored 'General case' 0 C--O 1.263 1.797 0 C-N-CA 126.259 1.824 . . . . 0.0 115.529 177.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -58.77 -54.09 51.05 Favored 'General case' 0 N--CA 1.539 3.995 0 CA-C-O 116.602 -1.666 . . . . 0.0 114.124 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -55.91 -49.49 73.31 Favored 'General case' 0 N--CA 1.534 3.758 0 C-N-CA 127.916 2.486 . . . . 0.0 112.799 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -56.77 -61.82 2.17 Favored 'General case' 0 N--CA 1.525 3.279 0 C-N-CA 125.349 1.46 . . . . 0.0 113.318 167.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.37 -89.3 0.01 OUTLIER Glycine 0 N--CA 1.492 2.398 0 CA-C-O 127.037 3.576 . . . . 0.0 118.249 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -73.36 98.04 2.63 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 125.813 2.721 . . . . 0.0 107.011 156.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.52 -48.4 0.38 Allowed Glycine 0 CA--C 1.572 3.624 0 CA-C-N 110.245 -3.161 . . . . 0.0 113.379 162.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.6 m -103.75 122.4 44.99 Favored 'General case' 0 C--N 1.392 2.415 0 CA-C-N 109.717 -3.242 . . . . 0.0 109.831 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -69.24 71.58 0.27 Allowed 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 128.736 2.814 . . . . 0.0 112.495 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -158.75 175.93 12.99 Favored 'General case' 0 CA--C 1.575 1.926 0 O-C-N 126.904 2.627 . . . . 0.0 108.525 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.2 tp -92.85 151.9 19.72 Favored 'General case' 0 CA--C 1.562 1.422 0 CA-C-N 111.531 -2.577 . . . . 0.0 109.072 169.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.554 HG22 ' HB ' ' A' ' 59' ' ' THR 0.267 4.1 pt -146.8 136.6 17.05 Favored 'Isoleucine or valine' 0 CA--C 1.627 3.915 3 CA-C-O 130.384 4.897 . . . . 0.0 99.877 -176.055 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.395 4.5 t -145.46 121.71 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.78 1 O-C-N 116.002 -4.186 . . . . 0.0 110.512 -168.393 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 p -139.53 107.83 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.463 0 CA-C-O 125.002 2.334 . . . . 0.0 110.395 -153.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -64.81 149.32 49.6 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-O 126.633 3.111 . . . . 0.0 118.325 161.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -138.44 108.15 6.26 Favored 'General case' 0 CA--C 1.601 2.939 1 N-CA-C 93.316 -6.55 . . . . 0.0 93.316 -174.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.9 t -154.47 145.15 22.38 Favored 'General case' 0 CA--C 1.603 2.992 0 O-C-N 127.076 2.735 . . . . 0.0 105.91 -171.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.27 . . -77.59 147.2 35.77 Favored 'General case' 2 C--N 1.237 -4.293 0 CA-C-N 112.691 -2.05 . . . . 0.0 113.959 161.058 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.7 t -53.56 -47.48 70.0 Favored 'General case' 0 N--CA 1.533 3.692 0 O-C-N 118.789 -2.444 . . . . 0.0 115.45 164.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -65.05 74.23 0.04 OUTLIER 'General case' 0 CA--C 1.606 3.102 0 CA-C-O 124.839 2.257 . . . . 0.0 114.229 166.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.6 t -164.34 83.37 1.26 Allowed Pre-proline 0 N--CA 1.524 3.26 0 CA-C-N 112.949 -1.932 . . . . 0.0 108.022 -176.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.407 44.5 Cg_exo -46.82 -42.05 24.84 Favored 'Trans proline' 1 CA--C 1.621 4.871 1 C-N-CA 127.795 5.663 . . . . 0.0 118.689 167.193 . . . . . . . . 4 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -56.03 -45.34 39.15 Favored 'Trans proline' 0 CA--C 1.604 3.977 0 C-N-CA 124.758 3.639 . . . . 0.0 119.332 164.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.559 7.9 m -67.41 -25.99 66.21 Favored 'General case' 0 N--CA 1.536 3.83 0 N-CA-C 121.329 3.826 . . . . 0.0 121.329 156.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.542 15.3 tttp -48.84 -58.55 4.65 Favored 'General case' 0 C--N 1.393 2.46 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 158.118 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.416 14.3 ptt? -59.59 -38.74 82.03 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 119.377 3.102 . . . . 0.0 119.377 164.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.432 1.0 OUTLIER -60.02 -21.75 22.72 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.142 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 170.219 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.402 . . -62.13 -59.62 12.54 Favored Pre-proline 0 C--N 1.396 2.61 0 CA-C-N 123.187 2.721 . . . . 0.0 112.355 170.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -52.66 -41.28 70.03 Favored 'Trans proline' 1 CA--C 1.613 4.442 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 162.215 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.251 29.0 mm -52.34 -57.58 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 CA-C-N 122.734 2.515 . . . . 0.0 116.324 167.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -54.64 -42.76 71.66 Favored 'General case' 0 CA--C 1.574 1.897 0 O-C-N 126.995 2.685 . . . . 0.0 115.816 173.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.97 95.41 Favored 'General case' 0 CA--C 1.593 2.606 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 162.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -49.88 -58.22 5.84 Favored 'General case' 0 CA--C 1.581 2.159 0 N-CA-C 116.974 2.213 . . . . 0.0 116.974 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.666 HD11 HG11 ' A' ' 107' ' ' VAL . 1.9 tm? -56.33 -38.62 71.59 Favored 'General case' 0 CA--C 1.579 2.064 1 CA-C-O 109.553 -5.022 . . . . 0.0 115.427 170.432 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.16 -43.69 61.31 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 119.725 3.232 . . . . 0.0 119.725 162.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -60.89 -44.54 96.96 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 113.039 -1.891 . . . . 0.0 114.084 169.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -54.54 -38.51 66.67 Favored 'General case' 0 CA--C 1.603 2.984 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 169.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -137.13 91.67 14.55 Favored Pre-proline 0 CA--C 1.61 3.267 0 C-N-CA 125.705 1.602 . . . . 0.0 108.32 -151.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -61.04 -29.6 88.01 Favored 'Trans proline' 1 CA--C 1.611 4.326 2 C-N-CA 128.095 5.864 . . . . 0.0 122.772 170.772 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -62.18 3.95 0.15 Allowed 'General case' 0 C--O 1.27 2.16 0 C-N-CA 129.316 3.046 . . . . 0.0 116.888 -177.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.263 3.4 p -147.53 107.53 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.873 0 CA-C-O 123.394 1.568 . . . . 0.0 113.313 -150.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.554 ' HB ' HG22 ' A' ' 29' ' ' ILE 0.303 57.1 m -66.6 156.14 35.9 Favored 'General case' 0 CA--C 1.596 2.716 0 CA-C-O 128.176 3.846 . . . . 0.0 113.216 160.856 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -148.41 136.42 20.98 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 125.588 2.613 . . . . 0.0 110.546 -171.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 pp -154.06 159.03 41.37 Favored 'General case' 0 N--CA 1.501 2.091 0 CA-C-O 126.751 3.167 . . . . 0.0 107.28 -174.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -148.69 110.2 4.45 Favored 'General case' 0 C--O 1.272 2.262 0 CA-C-O 128.177 3.846 . . . . 0.0 111.236 -166.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.464 HG13 HD12 ' A' ' 68' ' ' LEU . 94.6 t -91.46 119.37 38.61 Favored 'Isoleucine or valine' 0 C--O 1.275 2.397 0 O-C-N 116.746 -3.722 . . . . 0.0 112.064 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . 0.264 30.6 t70 -67.33 102.39 1.08 Allowed 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 126.281 1.832 . . . . 0.0 108.112 166.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.391 0.3 OUTLIER -51.94 -40.95 29.83 Favored 'Isoleucine or valine' 0 C--O 1.272 2.257 0 C-N-CA 130.958 3.703 . . . . 0.0 115.609 177.264 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -50.39 -58.06 6.55 Favored 'General case' 0 N--CA 1.507 2.419 0 C-N-CA 127.169 2.187 . . . . 0.0 112.885 174.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -55.19 -31.75 61.65 Favored 'General case' 0 N--CA 1.518 2.953 1 N-CA-C 124.563 5.023 . . . . 0.0 124.563 158.48 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.464 HD12 HG13 ' A' ' 63' ' ' VAL . 69.2 mt -145.45 48.0 1.27 Allowed 'General case' 0 CA--C 1.575 1.916 0 CA-C-O 125.696 2.665 . . . . 0.0 114.947 -161.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.335 16.9 ptpt -73.61 -51.63 16.18 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 118.382 2.734 . . . . 0.0 118.382 171.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.46 -53.22 24.15 Favored 'General case' 0 CA--C 1.581 2.143 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 175.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 p -62.3 -46.22 96.94 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.232 1 CA-C-O 110.763 -4.446 . . . . 0.0 121.303 166.309 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.18 -52.48 4.36 Favored 'General case' 0 N--CA 1.488 1.466 1 O-C-N 129.696 4.372 . . . . 0.0 113.819 164.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . 0.317 8.4 mt-10 -53.28 -53.41 51.28 Favored 'General case' 0 N--CA 1.518 2.964 0 O-C-N 125.658 1.849 . . . . 0.0 111.946 174.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.471 0.0 OUTLIER -45.36 -49.01 13.33 Favored 'General case' 0 C--N 1.399 2.719 1 N-CA-C 123.781 4.734 . . . . 0.0 123.781 164.961 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -56.03 -52.79 62.98 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 117.775 -3.078 . . . . 0.0 112.726 169.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.281 25.3 t-20 154.22 81.81 0.0 OUTLIER 'General case' 1 N--CA 1.545 4.296 0 C-N-CA 129.662 3.185 . . . . 0.0 105.209 154.351 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.646 HG22 HG21 ' A' ' 82' ' ' THR . 61.5 t -144.45 101.86 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.46 -2.519 0 CA-C-O 127.895 3.712 . . . . 0.0 106.284 -170.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.405 ' CD ' ' H ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -88.22 -15.34 36.18 Favored 'General case' 1 CA--C 1.652 4.882 0 O-C-N 117.078 -3.513 . . . . 0.0 117.637 161.915 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -156.77 157.42 35.0 Favored 'General case' 2 C--N 1.437 4.386 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 -165.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.6 mmt -75.58 128.16 84.49 Favored Pre-proline 0 CA--C 1.598 2.813 2 CA-C-O 109.527 -5.035 . . . . 0.0 108.11 169.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.35 88.4 Cg_endo -141.3 148.09 0.0 OUTLIER 'Cis proline' 0 CA--C 1.602 3.882 0 C-N-CA 120.275 -2.802 . . . . 0.0 111.423 -21.07 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.646 HG21 HG22 ' A' ' 77' ' ' VAL . 15.8 m -127.04 142.11 51.62 Favored 'General case' 0 N--CA 1.387 -3.608 1 N-CA-C 100.077 -4.046 . . . . 0.0 100.077 -130.152 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -134.34 116.79 15.64 Favored 'General case' 1 N--CA 1.566 5.334 0 N-CA-C 100.848 -3.76 . . . . 0.0 100.848 -163.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.27 54.0 mt -116.31 136.24 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.197 1 C-N-CA 133.707 4.803 . . . . 0.0 106.986 -179.033 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -120.9 109.46 15.14 Favored 'General case' 0 C--N 1.301 -1.52 3 N-CA-C 97.081 -5.155 . . . . 0.0 97.081 -168.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.5 136.64 48.07 Favored 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 129.13 2.972 . . . . 0.0 105.459 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.365 53.8 tttt -142.02 176.71 8.74 Favored 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 126.087 1.755 . . . . 0.0 109.365 -170.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -61.42 56.65 0.01 OUTLIER 'General case' 0 CA--C 1.615 3.468 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 154.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.4 40.66 0.08 OUTLIER Glycine 0 N--CA 1.495 2.625 0 C-N-CA 129.177 3.275 . . . . 0.0 117.218 173.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt 60.68 -170.34 0.15 Allowed 'General case' 0 CA--C 1.611 3.296 0 O-C-N 118.507 -2.761 . . . . 0.0 107.368 -177.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.49 94.2 0.06 Allowed 'General case' 0 CA--C 1.58 2.121 0 CA-C-O 123.975 1.845 . . . . 0.0 111.552 174.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.361 18.3 m -61.36 -58.92 5.35 Favored 'Isoleucine or valine' 0 C--N 1.378 1.815 0 CA-C-N 111.396 -2.638 . . . . 0.0 114.233 166.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -162.68 169.8 19.48 Favored 'General case' 0 C--N 1.382 2.02 0 O-C-N 116.406 -3.934 . . . . 0.0 114.359 -165.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.67 143.43 16.02 Favored 'General case' 0 CA--C 1.575 1.911 0 O-C-N 118.781 -2.45 . . . . 0.0 113.813 -172.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 80.9 m -158.67 157.78 32.49 Favored 'General case' 0 CA--C 1.615 3.476 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.288 1.2 p -140.65 93.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 C-N-CA 127.1 2.16 . . . . 0.0 107.613 -169.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 178.02 113.21 0.35 Allowed Glycine 0 CA--C 1.561 2.966 0 CA-C-O 127.448 3.804 . . . . 0.0 109.556 172.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.37 107.18 1.04 Allowed 'General case' 0 C--N 1.387 2.21 0 CA-C-O 126.161 2.886 . . . . 0.0 111.902 158.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -158.07 118.28 3.34 Favored 'General case' 0 N--CA 1.521 3.083 0 O-C-N 116.424 -3.922 . . . . 0.0 104.92 -171.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.357 0.0 OUTLIER -45.75 -56.7 4.99 Favored 'General case' 0 N--CA 1.512 2.655 0 N-CA-C 119.346 3.091 . . . . 0.0 119.346 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -79.2 -39.84 32.28 Favored 'General case' 0 N--CA 1.507 2.38 0 CA-C-O 116.414 -1.755 . . . . 0.0 113.885 167.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -43.43 -59.09 3.71 Favored Glycine 0 C--N 1.373 2.633 1 N-CA-C 125.466 4.946 . . . . 0.0 125.466 175.191 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.9 tp -56.57 -48.77 96.54 Favored Pre-proline 0 CA--C 1.588 2.428 0 CA-C-O 114.003 -2.903 . . . . 0.0 114.388 173.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -46.28 -55.91 3.34 Favored 'Trans proline' 0 C--N 1.402 3.389 1 C-N-CA 125.593 4.195 . . . . 0.0 117.424 159.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.29 17.6 m -51.91 -49.58 62.75 Favored 'General case' 0 N--CA 1.532 3.666 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 178.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.9 tp -62.53 -47.82 82.24 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 118.684 2.846 . . . . 0.0 118.684 169.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.666 HG11 HD11 ' A' ' 51' ' ' LEU 0.291 42.9 t -56.44 -54.97 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 CA-C-O 113.724 -3.036 . . . . 0.0 113.319 165.533 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.45 -45.14 17.97 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 118.008 2.595 . . . . 0.0 118.008 173.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -59.47 -48.95 79.68 Favored 'General case' 0 CA--C 1.619 3.612 0 O-C-N 128.143 3.402 . . . . 0.0 112.648 170.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -54.76 -55.83 25.83 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 120.946 3.684 . . . . 0.0 120.946 165.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.237 0 N-CA-C 118.686 2.847 . . . . 0.0 118.686 172.387 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 N--CA 1.52 3.047 0 CA-C-O 122.024 0.916 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.98 171.4 35.28 Favored Glycine 0 CA--C 1.569 3.438 0 C-N-CA 126.036 1.779 . . . . 0.0 114.354 161.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -157.41 136.86 12.04 Favored 'General case' 0 CA--C 1.587 2.394 0 O-C-N 118.95 -2.5 . . . . 0.0 107.11 -169.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.3 t -93.85 114.88 31.39 Favored 'Isoleucine or valine' 0 C--O 1.248 1.015 0 C-N-CA 130.143 3.377 . . . . 0.0 110.831 175.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -124.57 115.95 46.05 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.103 0 N-CA-C 101.883 -3.377 . . . . 0.0 101.883 -173.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.23 139.9 58.12 Favored 'General case' 0 CA--C 1.587 2.392 0 CA-C-O 124.051 1.882 . . . . 0.0 115.291 163.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.649 ' SG ' HD13 ' A' ' 61' ' ' LEU . 69.4 m -122.55 147.81 45.94 Favored 'General case' 0 C--N 1.282 -2.341 0 C-N-CA 129.433 3.093 . . . . 0.0 112.888 -172.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -141.24 -64.65 0.44 Allowed 'General case' 0 CA--C 1.565 1.545 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -153.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.3 p -138.35 -169.8 2.67 Favored 'General case' 0 CA--C 1.585 2.307 0 C-N-CA 128.512 2.725 . . . . 0.0 109.562 -165.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.0 p -45.07 -21.72 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.602 2.976 0 CA-C-O 128.264 3.888 . . . . 0.0 121.152 171.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.97 -41.04 95.8 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 117.618 -3.176 . . . . 0.0 112.917 172.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.276 2.1 t -50.87 -34.71 29.29 Favored 'General case' 0 CA--C 1.606 3.107 0 N-CA-C 119.44 3.126 . . . . 0.0 119.44 156.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . 0.253 37.1 m95 -55.58 -51.86 65.68 Favored 'General case' 1 N--CA 1.547 4.421 0 O-C-N 119.577 -1.952 . . . . 0.0 113.695 169.249 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -50.0 -55.58 14.1 Favored 'General case' 0 CA--C 1.604 3.027 0 N-CA-C 117.052 2.241 . . . . 0.0 117.052 161.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.406 33.5 mt-10 -53.9 -64.53 0.8 Allowed 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 121.4 3.852 . . . . 0.0 121.4 172.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -49.36 -58.78 4.48 Favored 'General case' 0 CA--C 1.593 2.615 0 O-C-N 124.618 1.198 . . . . 0.0 113.149 175.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -58.33 -59.32 5.52 Favored 'General case' 0 CA--C 1.585 2.299 0 C-N-CA 127.115 2.166 . . . . 0.0 115.556 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.408 ' O ' ' HA3' ' A' ' 24' ' ' GLY 0.368 64.7 mm-40 -51.34 -60.41 3.16 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 126.75 2.02 . . . . 0.0 115.75 177.049 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -54.46 -52.62 61.28 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 119.507 3.151 . . . . 0.0 119.507 169.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.86 -80.75 0.06 OUTLIER Glycine 0 CA--C 1.557 2.7 0 N-CA-C 120.522 2.969 . . . . 0.0 120.522 172.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -83.22 91.41 7.26 Favored 'General case' 0 CA--C 1.482 -1.662 0 O-C-N 128.474 3.102 . . . . 0.0 113.6 153.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 20' ' ' GLU . . . 171.72 -43.07 0.18 Allowed Glycine 0 CA--C 1.546 1.987 0 O-C-N 118.778 -2.451 . . . . 0.0 113.831 170.064 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.9 m -117.32 136.81 52.86 Favored 'General case' 0 C--O 1.266 1.953 0 C-N-CA 128.293 2.637 . . . . 0.0 104.586 -176.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.83 87.17 0.13 Allowed 'General case' 1 N--CA 1.542 4.16 0 C-N-CA 127.157 2.183 . . . . 0.0 109.186 166.041 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -162.13 158.18 24.34 Favored 'General case' 1 C--O 1.307 4.119 0 N-CA-C 103.406 -2.813 . . . . 0.0 103.406 176.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.2 tp -87.61 147.32 25.34 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 109.221 -3.627 . . . . 0.0 109.313 157.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.1 pt -141.64 138.49 31.99 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.088 1 C-N-CA 132.196 4.198 . . . . 0.0 106.956 -179.031 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.262 84.1 t -142.81 127.48 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.462 0 CA-C-N 113.31 -1.768 . . . . 0.0 109.004 -168.31 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.442 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 6.9 p -144.76 105.82 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.596 2.745 0 N-CA-C 118.393 2.738 . . . . 0.0 118.393 -157.454 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.467 ' HA ' ' O ' ' A' ' 82' ' ' THR . 11.6 t0 -68.56 125.83 27.75 Favored 'General case' 0 C--N 1.379 1.865 0 CA-C-N 110.991 -2.822 . . . . 0.0 117.55 168.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -108.31 105.29 14.92 Favored 'General case' 0 N--CA 1.51 2.53 0 CA-C-O 127.653 3.597 . . . . 0.0 102.192 171.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.9 t -151.02 135.7 17.19 Favored 'General case' 0 N--CA 1.539 3.98 0 CA-C-O 128.211 3.863 . . . . 0.0 103.713 -169.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.26 . . -79.98 149.81 30.67 Favored 'General case' 0 C--O 1.257 1.466 0 CA-C-N 110.224 -3.171 . . . . 0.0 112.154 160.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 t -58.81 -36.92 75.28 Favored 'General case' 0 CA--C 1.589 2.473 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 165.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 43.7 p-90 -58.73 61.91 0.0 OUTLIER 'General case' 1 N--CA 1.568 5.462 0 O-C-N 119.231 -2.168 . . . . 0.0 115.174 162.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.1 t -160.67 93.83 1.53 Allowed Pre-proline 0 CA--C 1.605 3.09 0 CA-C-O 115.552 -2.166 . . . . 0.0 106.923 -171.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -52.83 -34.51 65.92 Favored 'Trans proline' 2 CA--C 1.639 5.771 1 N-CA-C 124.176 4.644 . . . . 0.0 124.176 155.585 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.427 31.8 Cg_exo -51.65 -59.22 1.2 Allowed 'Trans proline' 0 N--CA 1.506 2.252 1 C-N-CA 126.753 4.968 . . . . 0.0 120.643 162.069 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.421 ' SG ' ' CG ' ' A' ' 81' ' ' PRO 0.462 28.7 m -62.52 -27.75 69.37 Favored 'General case' 0 C--N 1.385 2.151 1 N-CA-C 122.596 4.295 . . . . 0.0 122.596 157.61 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -41.69 -58.77 1.86 Allowed 'General case' 0 N--CA 1.513 2.69 0 O-C-N 118.175 -2.828 . . . . 0.0 117.119 152.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.255 12.4 ptm -68.43 -39.83 81.42 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 119.178 -2.201 . . . . 0.0 115.725 167.105 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.35 1.1 tp -53.15 -36.45 25.21 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.693 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 171.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.96 -60.64 4.34 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 117.037 -3.54 . . . . 0.0 112.877 165.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -45.8 -49.66 10.64 Favored 'Trans proline' 0 C--N 1.38 2.226 1 C-N-CA 125.814 4.342 . . . . 0.0 119.844 164.001 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.297 46.2 mm -53.64 -55.81 11.68 Favored 'Isoleucine or valine' 0 CA--C 1.623 3.776 0 CA-C-O 123.893 1.806 . . . . 0.0 113.206 168.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -45.96 -39.72 9.3 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 118.218 -2.801 . . . . 0.0 116.331 173.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.34 -53.57 16.14 Favored 'General case' 0 CA--C 1.549 0.905 1 O-C-N 129.554 4.284 . . . . 0.0 117.532 172.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -54.81 -50.0 69.62 Favored 'General case' 1 CA--C 1.645 4.609 0 O-C-N 118.301 -2.749 . . . . 0.0 113.575 167.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.332 2.0 tm? -46.43 -50.73 16.36 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 162.128 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.21 -37.72 55.84 Favored 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 118.841 2.904 . . . . 0.0 118.841 169.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -69.01 -39.19 79.43 Favored 'General case' 0 C--O 1.258 1.522 0 C-N-CA 129.021 2.928 . . . . 0.0 114.278 169.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -59.52 -33.81 71.84 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 117.997 2.591 . . . . 0.0 117.997 173.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 3.0 m-85 -134.89 96.08 14.91 Favored Pre-proline 0 C--O 1.263 1.772 0 C-N-CA 128.1 2.56 . . . . 0.0 110.392 -155.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 55' ' ' PHE 0.267 4.4 Cg_endo -68.89 -35.63 15.04 Favored 'Trans proline' 0 N--CA 1.527 3.486 2 C-N-CA 133.039 9.159 . . . . 0.0 126.679 179.958 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -71.42 4.22 3.15 Favored 'General case' 0 CA--C 1.588 2.431 0 N-CA-C 118.394 2.738 . . . . 0.0 118.394 176.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.299 2.5 p -144.99 108.03 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.502 0 C-N-CA 122.883 0.473 . . . . 0.0 110.211 -154.309 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.3 m -69.53 157.52 37.01 Favored 'General case' 0 CA--C 1.589 2.464 0 CA-C-N 112.467 -2.151 . . . . 0.0 110.176 169.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -149.44 122.66 8.94 Favored 'General case' 0 C--O 1.184 -2.359 0 CA-C-N 111.823 -2.444 . . . . 0.0 108.444 -168.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.649 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.274 0.3 OUTLIER -148.23 146.65 28.75 Favored 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 127.148 2.179 . . . . 0.0 108.674 -168.439 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -147.75 101.4 3.32 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 126.65 3.119 . . . . 0.0 109.378 -161.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.3 t -77.15 124.03 34.8 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.149 0 CA-C-N 110.154 -3.203 . . . . 0.0 111.521 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -67.31 90.64 0.23 Allowed 'General case' 0 N--CA 1.537 3.909 0 CA-C-N 112.28 -2.236 . . . . 0.0 110.981 155.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.349 1.0 OUTLIER -46.78 -33.27 2.05 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 N-CA-C 119.721 3.23 . . . . 0.0 119.721 172.559 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.434 30.5 m-20 -57.43 -47.47 81.68 Favored 'General case' 0 N--CA 1.532 3.649 0 CA-C-O 116.019 -1.944 . . . . 0.0 116.225 168.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -57.86 -25.33 60.59 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 120.04 3.348 . . . . 0.0 120.04 165.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.0 mt -152.82 45.04 0.68 Allowed 'General case' 0 C--N 1.413 3.352 0 CA-C-O 127.863 3.697 . . . . 0.0 117.279 -164.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.265 14.4 ptpt -62.93 -42.49 99.82 Favored 'General case' 1 N--CA 1.559 4.982 0 O-C-N 119.353 -2.092 . . . . 0.0 116.446 177.106 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.73 -66.54 0.37 Allowed 'General case' 1 N--CA 1.56 5.064 0 C-N-CA 125.696 1.598 . . . . 0.0 113.821 175.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.5 p -60.89 -44.7 98.37 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.687 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 169.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.99 -47.39 5.74 Favored 'General case' 0 C--O 1.172 -3.02 0 O-C-N 116.411 -3.931 . . . . 0.0 116.377 167.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . 0.317 48.8 tt0 -54.33 -58.9 5.65 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 113.062 -1.881 . . . . 0.0 113.042 167.16 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.253 0.0 OUTLIER -43.21 -55.93 3.71 Favored 'General case' 1 N--CA 1.552 4.637 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 170.781 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.408 16.3 m95 -51.1 -42.33 60.58 Favored 'General case' 0 C--N 1.375 1.68 0 N-CA-C 118.661 2.837 . . . . 0.0 118.661 171.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.285 41.3 t30 145.77 86.09 0.0 OUTLIER 'General case' 0 C--O 1.258 1.542 0 N-CA-C 102.213 -3.254 . . . . 0.0 102.213 155.071 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.458 HG22 HG21 ' A' ' 82' ' ' THR . 11.4 t -168.21 98.52 0.01 OUTLIER 'Isoleucine or valine' 1 CA--C 1.636 4.269 0 CA-C-N 120.92 1.691 . . . . 0.0 110.911 -174.379 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.293 19.4 pt-20 -114.34 43.97 1.79 Allowed 'General case' 1 CA--C 1.656 5.053 2 CA-C-N 100.02 -7.809 . . . . 0.0 113.008 143.936 . . . . . . . . 4 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.75 114.37 4.29 Favored 'General case' 0 CA--C 1.615 3.465 0 CA-C-O 126.771 3.177 . . . . 0.0 111.33 -169.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . 0.398 33.2 mmt -82.7 106.17 6.31 Favored Pre-proline 0 N--CA 1.518 2.952 0 CA-C-O 113.388 -3.196 . . . . 0.0 109.217 175.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.421 ' CG ' ' SG ' ' A' ' 41' ' ' CYS . 31.2 Cg_endo -151.94 152.15 0.0 OUTLIER 'Cis proline' 0 CA--C 1.591 3.358 3 CA-C-N 130.816 4.899 . . . . 0.0 116.563 -1.015 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 32' ' ' ASP . 4.7 m -107.48 135.41 49.01 Favored 'General case' 0 CA--C 1.586 2.331 1 CA-C-N 105.753 -5.203 . . . . 0.0 105.777 -147.065 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -126.74 134.4 50.64 Favored 'General case' 0 C--O 1.205 -1.241 0 C-N-CA 130.297 3.439 . . . . 0.0 102.473 175.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.506 HG23 HD13 ' A' ' 91' ' ' LEU 0.305 11.9 mt -136.42 124.77 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.35 0 CA-C-O 127.286 3.422 . . . . 0.0 107.368 -174.008 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -104.65 107.1 17.87 Favored 'General case' 0 CA--C 1.625 3.863 1 CA-C-N 108.324 -4.035 . . . . 0.0 104.442 -175.025 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.329 0.1 OUTLIER -130.82 132.05 45.0 Favored 'General case' 0 CA--C 1.582 2.205 0 N-CA-C 101.415 -3.55 . . . . 0.0 101.415 -178.56 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -137.18 -179.48 5.74 Favored 'General case' 0 CA--C 1.604 3.044 0 CA-C-N 108.734 -3.848 . . . . 0.0 106.744 -171.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -57.59 52.29 0.0 OUTLIER 'General case' 0 CA--C 1.589 2.475 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 157.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -178.03 44.92 0.09 OUTLIER Glycine 0 C--O 1.269 2.304 1 C-N-CA 131.659 4.457 . . . . 0.0 111.169 169.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.327 48.3 mtmt 62.03 -162.61 0.28 Allowed 'General case' 0 C--N 1.359 1.019 0 O-C-N 118.135 -2.979 . . . . 0.0 114.364 -172.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.506 HD13 HG23 ' A' ' 84' ' ' ILE . 49.2 tp -57.76 102.72 0.1 Allowed 'General case' 0 N--CA 1.536 3.864 0 CA-C-O 126.102 2.858 . . . . 0.0 108.367 166.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.519 32.7 m -65.64 -54.11 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.693 0 C-N-CA 126.591 1.956 . . . . 0.0 113.478 163.319 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -161.16 178.83 8.9 Favored 'General case' 0 C--O 1.262 1.753 0 O-C-N 118.979 -2.325 . . . . 0.0 113.931 -165.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.25 139.06 17.99 Favored 'General case' 0 CA--C 1.577 1.985 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -168.05 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.8 m -157.02 132.9 9.49 Favored 'General case' 0 CA--C 1.623 3.782 0 C-N-CA 124.634 1.174 . . . . 0.0 108.446 -178.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.301 2.3 p -133.29 102.23 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.994 0 O-C-N 128.531 3.644 . . . . 0.0 106.944 -175.006 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 159.2 88.15 0.07 OUTLIER Glycine 0 C--O 1.289 3.543 1 O-C-N 131.224 5.327 . . . . 0.0 116.017 163.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.28 122.91 5.76 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 117.595 2.443 . . . . 0.0 117.595 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -160.16 129.03 4.94 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 -172.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.28 0.0 OUTLIER -39.6 -57.57 1.46 Allowed 'General case' 0 CA--C 1.604 3.026 1 N-CA-C 122.07 4.1 . . . . 0.0 122.07 -178.891 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.301 6.4 p-10 -73.91 -47.75 35.66 Favored 'General case' 0 CA--C 1.626 3.871 0 CA-C-N 112.111 -2.313 . . . . 0.0 116.573 171.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -36.58 -64.53 0.61 Allowed Glycine 0 C--N 1.29 -1.98 0 C-N-CA 128.794 3.092 . . . . 0.0 119.171 175.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.481 ' HB3' ' HD3' ' A' ' 104' ' ' PRO . 21.9 tp -48.25 -59.92 5.21 Favored Pre-proline 0 CA--C 1.576 1.962 0 N-CA-C 118.163 2.653 . . . . 0.0 118.163 166.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.481 ' HD3' ' HB3' ' A' ' 103' ' ' LEU . 84.7 Cg_exo -44.61 -50.36 8.32 Favored 'Trans proline' 0 C--N 1.395 3.008 0 N-CA-C 119.334 2.782 . . . . 0.0 119.334 167.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.4 5.2 m -53.07 -54.42 35.76 Favored 'General case' 0 N--CA 1.533 3.698 0 N-CA-C 120.561 3.541 . . . . 0.0 120.561 172.103 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 38.5 tp -61.33 -48.71 80.09 Favored 'General case' 0 CA--C 1.583 2.224 0 C-N-CA 128.261 2.624 . . . . 0.0 112.939 174.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 99.3 t -58.28 -37.8 65.12 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.763 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 169.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.87 -56.18 25.56 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 125.086 1.491 . . . . 0.0 114.916 161.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . 0.29 46.8 mttt -48.69 -42.64 35.46 Favored 'General case' 0 C--O 1.263 1.785 0 N-CA-C 118.489 2.774 . . . . 0.0 118.489 170.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.317 33.9 m-70 -64.25 -68.87 0.32 Allowed 'General case' 0 C--O 1.194 -1.831 0 N-CA-C 119.983 3.327 . . . . 0.0 119.983 164.225 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.528 3.438 0 N-CA-C 120.61 3.559 . . . . 0.0 120.61 168.456 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 . . . . . 0 C--O 1.249 1.077 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.05 158.43 25.47 Favored Glycine 0 N--CA 1.499 2.873 0 CA-C-N 114.31 -1.313 . . . . 0.0 115.455 162.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -151.92 121.64 6.98 Favored 'General case' 0 CA--C 1.571 1.761 0 O-C-N 118.226 -2.926 . . . . 0.0 107.642 -169.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.2 t -85.99 130.26 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.608 3.204 0 C-N-CA 129.329 3.052 . . . . 0.0 112.391 173.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.373 0.4 OUTLIER -129.5 128.76 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.693 0 C-N-CA 129.288 3.035 . . . . 0.0 109.122 -172.88 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.69 137.64 56.25 Favored 'General case' 0 CA--C 1.577 1.995 0 N-CA-C 119.803 3.261 . . . . 0.0 119.803 157.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.515 ' SG ' HD13 ' A' ' 61' ' ' LEU . 72.6 m -143.87 135.1 25.72 Favored 'General case' 0 CA--C 1.588 2.414 0 CA-C-N 110.62 -2.991 . . . . 0.0 108.352 -171.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -139.79 -41.26 0.44 Allowed 'General case' 0 C--N 1.382 2.008 0 CA-C-N 110.573 -3.012 . . . . 0.0 115.521 -150.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.0 p -147.06 -168.75 3.13 Favored 'General case' 0 CA--C 1.584 2.286 0 O-C-N 118.803 -2.435 . . . . 0.0 107.385 -166.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 p -52.07 -23.43 3.95 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.613 0 C-N-CA 124.893 1.277 . . . . 0.0 112.05 167.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.56 -39.23 15.99 Favored 'General case' 0 CA--C 1.572 1.819 0 O-C-N 117.813 -3.055 . . . . 0.0 117.578 166.116 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.357 0.6 OUTLIER -64.42 -38.7 91.96 Favored 'General case' 0 N--CA 1.521 3.096 0 CA-C-O 115.358 -2.258 . . . . 0.0 115.06 166.255 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.411 ' NE1' HG21 ' A' ' 71' ' ' VAL 0.322 35.8 m95 -46.8 -42.89 17.78 Favored 'General case' 0 N--CA 1.522 3.145 0 O-C-N 125.963 2.039 . . . . 0.0 116.434 160.647 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -62.31 -57.05 12.79 Favored 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 121.069 3.729 . . . . 0.0 121.069 154.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -50.56 -60.68 2.78 Favored 'General case' 0 N--CA 1.528 3.468 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -54.07 -60.69 3.0 Favored 'General case' 0 N--CA 1.52 3.048 0 C-N-CA 129.899 3.28 . . . . 0.0 115.713 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.328 21.5 t80 -53.72 -59.81 4.13 Favored 'General case' 0 CA--C 1.599 2.83 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 176.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -49.9 -49.01 51.23 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 119.498 3.147 . . . . 0.0 119.498 170.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.274 22.4 mmtp -62.4 -63.18 1.31 Allowed 'General case' 0 N--CA 1.512 2.67 0 CA-C-O 117.659 -1.163 . . . . 0.0 113.784 170.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.24 -82.15 0.02 OUTLIER Glycine 1 CA--C 1.582 4.276 0 CA-C-O 125.476 2.709 . . . . 0.0 115.961 175.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -75.86 96.85 3.78 Favored 'General case' 0 CA--C 1.564 1.482 0 CA-C-O 124.543 2.116 . . . . 0.0 106.351 161.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.66 -46.63 0.34 Allowed Glycine 0 CA--C 1.571 3.559 0 CA-C-O 126.085 3.047 . . . . 0.0 114.302 166.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.9 m -117.78 123.35 45.77 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 103.87 -2.641 . . . . 0.0 103.87 -166.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -56.98 76.63 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 N-CA-C 117.884 2.55 . . . . 0.0 117.884 168.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -158.14 162.84 37.99 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.245 1.418 . . . . 0.0 110.758 -174.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.2 tp -75.71 151.36 37.68 Favored 'General case' 0 N--CA 1.525 3.295 0 C-N-CA 125.278 1.431 . . . . 0.0 114.597 148.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 86' ' ' LEU . 1.9 pt -145.94 127.61 8.04 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.447 0 C-N-CA 130.089 3.355 . . . . 0.0 106.775 176.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.4 t -133.82 142.85 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.967 0 C-N-CA 130.285 3.434 . . . . 0.0 102.847 -162.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.413 HG13 ' HE2' ' A' ' 33' ' ' PHE 0.369 2.5 p -150.15 122.53 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.526 3.346 0 O-C-N 116.676 -3.765 . . . . 0.0 104.744 -162.405 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -81.01 141.59 34.25 Favored 'General case' 0 CA--C 1.577 2.008 0 C-N-CA 128.645 2.778 . . . . 0.0 106.443 159.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.413 ' HE2' HG13 ' A' ' 31' ' ' VAL . 96.8 m-85 -123.78 105.59 9.79 Favored 'General case' 0 N--CA 1.509 2.508 0 C-N-CA 131.134 3.774 . . . . 0.0 102.414 171.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.408 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 4.1 t -152.07 142.9 22.97 Favored 'General case' 1 CA--C 1.629 4.008 0 CA-C-O 127.26 3.409 . . . . 0.0 104.561 -171.326 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.321 . . -81.37 153.57 26.92 Favored 'General case' 0 N--CA 1.528 3.437 1 CA-C-N 107.78 -4.282 . . . . 0.0 114.345 168.667 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 t -54.84 -40.75 69.95 Favored 'General case' 0 CA--C 1.577 2.011 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 161.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.26 34.8 p-90 -71.45 74.52 0.76 Allowed 'General case' 0 CA--C 1.579 2.088 0 C-N-CA 130.832 3.653 . . . . 0.0 113.777 161.641 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.4 t -164.41 91.46 1.03 Allowed Pre-proline 0 CA--C 1.592 2.58 0 O-C-N 125.679 1.862 . . . . 0.0 107.025 -176.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -56.33 -49.35 15.39 Favored 'Trans proline' 1 CA--C 1.607 4.154 1 C-N-CA 126.879 5.053 . . . . 0.0 115.533 159.738 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -39.98 -53.69 2.35 Favored 'Trans proline' 0 N--CA 1.527 3.487 1 CA-C-N 128.789 4.175 . . . . 0.0 116.743 167.049 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.641 2.3 m -61.43 -40.2 93.57 Favored 'General case' 0 N--CA 1.509 2.52 0 N-CA-C 120.649 3.574 . . . . 0.0 120.649 168.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -47.78 -44.36 28.4 Favored 'General case' 0 N--CA 1.484 1.236 1 N-CA-C 122.844 4.387 . . . . 0.0 122.844 166.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.258 15.5 ptm -63.26 -50.86 68.5 Favored 'General case' 1 N--CA 1.545 4.3 0 O-C-N 128.521 3.638 . . . . 0.0 115.425 158.758 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.537 1.0 OUTLIER -49.76 -21.72 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.836 1 N-CA-C 123.647 4.684 . . . . 0.0 123.647 169.039 . . . . . . . . 4 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.85 -68.33 0.84 Allowed Pre-proline 0 CA--C 1.576 1.96 0 CA-C-O 114.886 -2.483 . . . . 0.0 108.509 163.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -44.85 -47.72 11.48 Favored 'Trans proline' 0 C--N 1.37 1.703 1 N-CA-C 124.396 4.729 . . . . 0.0 124.396 166.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.264 32.5 mm -53.75 -53.44 26.4 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.95 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 167.236 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -52.04 -49.04 64.23 Favored 'General case' 1 N--CA 1.55 4.57 0 CA-C-O 118.48 -0.771 . . . . 0.0 112.505 170.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.07 -56.23 20.02 Favored 'General case' 0 C--N 1.375 1.676 0 N-CA-C 119.358 3.096 . . . . 0.0 119.358 167.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.255 41.5 tt0 -48.96 -53.07 21.36 Favored 'General case' 0 N--CA 1.517 2.895 1 O-C-N 113.238 -5.914 . . . . 0.0 120.508 169.444 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.42 HD21 HG11 ' A' ' 107' ' ' VAL . 0.3 OUTLIER -50.94 -49.21 60.27 Favored 'General case' 0 CA--C 1.587 2.372 0 CA-C-O 114.619 -2.61 . . . . 0.0 114.311 160.573 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.19 -50.18 16.05 Favored 'General case' 0 C--O 1.276 2.451 0 N-CA-C 118.323 2.712 . . . . 0.0 118.323 166.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -61.5 -29.44 69.98 Favored 'General case' 0 CA--C 1.6 2.875 0 N-CA-C 118.013 2.597 . . . . 0.0 118.013 170.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -71.23 -29.84 65.61 Favored 'General case' 0 CA--C 1.578 2.034 0 C-N-CA 129.5 3.12 . . . . 0.0 114.108 173.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -136.05 98.14 11.85 Favored Pre-proline 0 CA--C 1.603 2.984 0 C-N-CA 127.212 2.205 . . . . 0.0 108.231 -157.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.261 1.8 Cg_endo -71.83 -24.47 21.21 Favored 'Trans proline' 0 CA--C 1.593 3.462 2 C-N-CA 131.788 8.326 . . . . 0.0 125.345 173.872 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -75.25 12.46 0.93 Allowed 'General case' 0 N--CA 1.535 3.815 0 C-N-CA 130.184 3.393 . . . . 0.0 114.328 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.403 1.6 p -150.11 103.27 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.151 0 CA-C-O 124.084 1.897 . . . . 0.0 109.386 -154.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.7 m -62.45 147.84 47.43 Favored 'General case' 0 CA--C 1.624 3.807 0 CA-C-O 125.228 2.442 . . . . 0.0 109.114 160.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -141.66 132.32 25.57 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 109.902 -3.317 . . . . 0.0 107.723 -176.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.515 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.347 1.0 OUTLIER -143.39 159.92 41.5 Favored 'General case' 0 CA--C 1.627 3.935 0 CA-C-N 110.38 -3.1 . . . . 0.0 107.073 -174.015 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.4 ptmm? -150.84 110.93 4.12 Favored 'General case' 0 N--CA 1.518 2.945 0 CA-C-N 112.779 -2.009 . . . . 0.0 110.271 -170.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.3 t -93.31 116.59 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.906 1 C-N-CA 132.624 4.37 . . . . 0.0 109.416 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . 0.265 11.2 t70 -64.4 96.99 0.18 Allowed 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 110.431 -3.077 . . . . 0.0 108.587 158.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.483 HG11 ' SD ' ' A' ' 80' ' ' MET 0.349 0.3 OUTLIER -57.39 -28.48 30.94 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.51 0 CA-C-O 112.76 -3.495 . . . . 0.0 119.022 174.282 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -49.74 -38.38 33.34 Favored 'General case' 1 CA--C 1.63 4.048 0 O-C-N 127.091 2.744 . . . . 0.0 117.986 168.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -77.33 -24.83 50.75 Favored 'General case' 0 CA--C 1.621 3.7 0 N-CA-C 120.127 3.38 . . . . 0.0 120.127 164.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.251 61.4 mt -138.73 37.43 2.2 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 127.035 2.134 . . . . 0.0 114.382 -158.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.39 11.1 ptpt -53.68 -47.1 70.74 Favored 'General case' 0 CA--C 1.574 1.88 1 N-CA-C 123.152 4.501 . . . . 0.0 123.152 167.228 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.35 -59.77 3.68 Favored 'General case' 0 CA--C 1.599 2.845 0 C-N-CA 127.758 2.423 . . . . 0.0 114.387 175.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.411 HG21 ' NE1' ' A' ' 15' ' ' TRP 0.457 2.1 p -54.34 -46.76 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.665 0 N-CA-C 119.134 3.013 . . . . 0.0 119.134 166.858 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.35 -44.43 62.05 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 115.927 -1.987 . . . . 0.0 113.409 170.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . 0.256 17.8 tt0 -54.4 -57.13 12.46 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 127.755 2.422 . . . . 0.0 111.973 169.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.314 0.0 OUTLIER -52.09 -53.65 39.91 Favored 'General case' 0 N--CA 1.523 3.205 0 CA-C-O 111.937 -3.887 . . . . 0.0 115.792 177.876 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -53.91 -45.84 71.27 Favored 'General case' 0 CA--C 1.61 3.271 0 O-C-N 128.144 3.402 . . . . 0.0 110.29 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.63 23.3 t-20 153.55 67.9 0.0 OUTLIER 'General case' 0 N--CA 1.522 3.126 0 C-N-CA 130.003 3.321 . . . . 0.0 115.02 155.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.472 HG22 HG21 ' A' ' 82' ' ' THR . 85.9 t -144.99 82.66 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.334 1 CA-C-O 130.32 4.866 . . . . 0.0 104.337 -161.923 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -72.65 -1.7 17.25 Favored 'General case' 0 CA--C 1.597 2.775 2 CA-C-N 106.85 -4.705 . . . . 0.0 122.919 149.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . 0.501 . . -148.36 123.67 10.25 Favored 'General case' 0 CA--C 1.628 3.953 0 O-C-N 128.679 3.737 . . . . 0.0 112.737 -160.18 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.483 ' SD ' HG11 ' A' ' 65' ' ' VAL 0.355 32.1 mmt -66.61 110.11 4.4 Favored Pre-proline 0 CA--C 1.624 3.816 0 CA-C-N 122.128 2.24 . . . . 0.0 114.554 149.409 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.307 84.4 Cg_endo -148.16 153.84 0.0 OUTLIER 'Cis proline' 0 N--CA 1.535 3.967 1 N-CA-C 124.22 4.661 . . . . 0.0 124.22 -8.047 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.472 HG21 HG22 ' A' ' 77' ' ' VAL . 90.0 m -117.67 139.15 51.4 Favored 'General case' 0 N--CA 1.53 3.529 1 CA-C-N 104.832 -5.622 . . . . 0.0 101.646 -140.761 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -133.96 110.1 9.46 Favored 'General case' 0 N--CA 1.511 2.593 1 O-C-N 130.728 5.017 . . . . 0.0 101.764 -169.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.3 mt -123.91 148.59 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 1 C-N-CA 132.015 4.126 . . . . 0.0 111.155 -172.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -131.46 113.19 13.4 Favored 'General case' 0 N--CA 1.526 3.368 1 CA-C-N 107.801 -4.272 . . . . 0.0 110.411 -163.059 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.463 ' O ' HG12 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -138.29 120.72 16.01 Favored 'General case' 0 N--CA 1.512 2.668 1 O-C-N 129.593 4.308 . . . . 0.0 102.066 -169.982 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -125.72 173.47 9.0 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 127.82 2.448 . . . . 0.0 108.608 -169.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.281 3.1 p30 -47.2 26.86 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.081 1 N-CA-C 122.329 4.196 . . . . 0.0 122.329 158.006 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.57 48.32 0.36 Allowed Glycine 0 C--N 1.258 -3.8 0 C-N-CA 125.55 1.548 . . . . 0.0 112.316 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.357 35.6 mtmt 48.74 -172.71 0.02 OUTLIER 'General case' 0 N--CA 1.519 3.0 0 N-CA-C 116.709 2.114 . . . . 0.0 116.709 -170.134 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.7 tp -59.63 101.63 0.12 Allowed 'General case' 0 C--N 1.27 -2.891 0 C-N-CA 130.462 3.505 . . . . 0.0 112.019 -175.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.646 29.3 m -71.31 -42.99 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 129.69 3.196 . . . . 0.0 117.528 175.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -166.28 168.47 15.09 Favored 'General case' 0 N--CA 1.517 2.924 0 CA-C-N 123.024 2.647 . . . . 0.0 110.827 -171.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.9 128.72 5.71 Favored 'General case' 0 N--CA 1.502 2.146 0 CA-C-O 123.9 1.81 . . . . 0.0 109.621 -171.192 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.7 m -156.43 150.56 25.24 Favored 'General case' 1 CA--C 1.632 4.122 1 O-C-N 115.972 -4.205 . . . . 0.0 104.33 -174.488 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.276 1.9 p -145.93 102.49 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.257 -3.43 0 N-CA-C 104.21 -2.515 . . . . 0.0 104.21 -173.138 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 167.81 91.59 0.08 OUTLIER Glycine 0 N--CA 1.419 -2.478 0 CA-C-N 110.653 -2.976 . . . . 0.0 114.749 168.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -46.57 120.08 2.74 Favored 'General case' 0 C--O 1.198 -1.605 0 N-CA-C 118.175 2.657 . . . . 0.0 118.175 169.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -156.47 128.99 7.63 Favored 'General case' 0 N--CA 1.531 3.58 0 O-C-N 119.61 -1.931 . . . . 0.0 107.556 -172.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.547 0.0 OUTLIER -44.44 -61.15 1.63 Allowed 'General case' 1 CA--C 1.633 4.151 0 CA-C-O 126.944 3.259 . . . . 0.0 115.94 177.509 . . . . . . . . 4 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.392 17.5 p-10 -75.08 -52.06 11.95 Favored 'General case' 1 N--CA 1.54 4.039 0 CA-C-N 112.163 -2.29 . . . . 0.0 114.465 175.733 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -39.27 -57.09 2.22 Favored Glycine 0 N--CA 1.469 0.857 1 N-CA-C 123.423 4.129 . . . . 0.0 123.423 174.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.4 57.4 tp -44.93 -62.26 1.75 Allowed Pre-proline 0 N--CA 1.524 3.262 0 O-C-N 119.502 -2.175 . . . . 0.0 114.585 170.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -55.78 -34.18 90.27 Favored 'Trans proline' 0 C--O 1.267 1.947 0 C-N-CA 124.748 3.632 . . . . 0.0 118.337 167.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.9 m -59.68 -59.22 5.79 Favored 'General case' 0 CA--C 1.604 3.049 0 CA-C-N 121.47 1.941 . . . . 0.0 114.718 169.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 33.1 tp -47.95 -55.72 9.31 Favored 'General case' 0 CA--C 1.591 2.528 0 O-C-N 127.266 2.854 . . . . 0.0 116.096 171.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.42 HG11 HD21 ' A' ' 51' ' ' LEU . 54.3 t -53.82 -54.3 20.71 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.113 0 C-N-CA 129.211 3.004 . . . . 0.0 115.677 169.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.75 -52.8 8.04 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-N 119.929 1.24 . . . . 0.0 113.972 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -49.74 -53.33 25.54 Favored 'General case' 0 C--N 1.365 1.256 1 N-CA-C 122.661 4.319 . . . . 0.0 122.661 160.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.251 52.8 m-70 -58.66 -46.88 86.21 Favored 'General case' 0 N--CA 1.525 3.317 0 N-CA-C 120.417 3.488 . . . . 0.0 120.417 170.017 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.913 0 CA-C-O 114.572 -2.632 . . . . 0.0 116.697 167.079 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--O 1.253 1.287 0 CA-C-O 122.678 1.227 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.42 160.5 27.98 Favored Glycine 0 CA--C 1.558 2.719 0 CA-C-N 112.466 -2.152 . . . . 0.0 117.868 159.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -155.01 129.33 9.0 Favored 'General case' 0 C--N 1.375 1.686 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -168.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -84.4 131.11 34.75 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.802 1 O-C-N 129.298 4.124 . . . . 0.0 106.707 174.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 61' ' ' LEU 0.332 0.2 OUTLIER -133.21 119.09 34.49 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.087 0 C-N-CA 130.318 3.447 . . . . 0.0 104.849 -174.161 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.47 135.82 57.16 Favored 'General case' 1 CA--C 1.646 4.642 0 CA-C-O 125.297 2.475 . . . . 0.0 114.562 163.279 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.7 m -128.43 138.44 52.31 Favored 'General case' 0 CA--C 1.609 3.223 0 CA-C-N 109.273 -3.603 . . . . 0.0 114.217 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.8 m170 -133.51 -47.67 0.82 Allowed 'General case' 0 N--CA 1.522 3.129 1 CA-C-N 108.032 -4.167 . . . . 0.0 116.038 -160.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.4 p -146.44 -169.5 3.28 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 112.609 -2.087 . . . . 0.0 112.709 -158.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.414 5.8 p -51.36 -14.89 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.588 2.416 1 N-CA-C 122.439 4.237 . . . . 0.0 122.439 170.568 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.264 0.9 OUTLIER -61.22 -47.96 83.7 Favored 'General case' 0 CA--C 1.586 2.34 0 CA-C-N 113.396 -1.729 . . . . 0.0 114.221 160.037 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.256 1.0 OUTLIER -50.89 -34.56 28.77 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 115.243 -2.313 . . . . 0.0 116.857 164.801 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.426 ' NE1' HG21 ' A' ' 71' ' ' VAL 0.352 28.8 m95 -49.48 -55.88 11.71 Favored 'General case' 0 CA--C 1.612 3.363 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 163.07 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -55.85 -40.18 72.49 Favored 'General case' 0 N--CA 1.511 2.612 0 N-CA-C 118.994 2.961 . . . . 0.0 118.994 162.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.278 49.2 mt-10 -72.83 -61.49 1.79 Allowed 'General case' 0 CA--C 1.575 1.939 0 C-N-CA 128.531 2.732 . . . . 0.0 117.716 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -57.74 -60.43 3.71 Favored 'General case' 0 C--O 1.259 1.566 0 C-N-CA 128.07 2.548 . . . . 0.0 113.787 176.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.404 12.0 t80 -56.72 -59.06 5.57 Favored 'General case' 0 N--CA 1.515 2.809 0 N-CA-C 117.044 2.239 . . . . 0.0 117.044 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.324 3.7 mm-40 -57.68 -44.41 85.78 Favored 'General case' 0 CA--C 1.598 2.82 0 C-N-CA 126.704 2.002 . . . . 0.0 115.124 174.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.308 23.3 mmtp -57.04 -62.13 1.97 Allowed 'General case' 0 CA--C 1.582 2.19 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 165.105 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.23 -84.62 0.03 OUTLIER Glycine 0 CA--C 1.57 3.5 0 C-N-CA 127.261 2.362 . . . . 0.0 116.273 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -69.79 86.35 0.5 Allowed 'General case' 0 CA--C 1.585 2.322 0 CA-C-O 125.944 2.783 . . . . 0.0 112.88 159.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.92 -48.23 0.46 Allowed Glycine 0 C--N 1.379 2.919 0 CA-C-N 111.613 -2.54 . . . . 0.0 118.649 161.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.352 26.8 m -82.97 134.44 35.06 Favored 'General case' 0 CA--C 1.587 2.396 0 CA-C-N 108.955 -3.622 . . . . 0.0 107.322 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.307 22.0 mp0 -61.84 70.25 0.01 OUTLIER 'General case' 0 CA--C 1.579 2.076 0 C-N-CA 127.35 2.26 . . . . 0.0 111.549 174.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -163.82 159.22 20.94 Favored 'General case' 0 CA--C 1.563 1.456 0 CA-C-O 124.032 1.873 . . . . 0.0 111.331 -176.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.599 HD21 ' HB3' ' A' ' 110' ' ' HIS . 25.3 tp -86.29 149.07 25.32 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-N 109.315 -3.584 . . . . 0.0 107.218 162.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.5 pt -143.09 127.11 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.119 1 N-CA-C 99.92 -4.104 . . . . 0.0 99.92 -177.494 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.4 t -134.3 117.9 26.0 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.962 0 N-CA-C 101.858 -3.386 . . . . 0.0 101.858 -168.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.5 p -137.74 109.73 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.624 3.792 0 O-C-N 118.536 -2.603 . . . . 0.0 110.339 -156.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -73.13 148.11 44.22 Favored 'General case' 0 CA--C 1.606 3.106 1 O-C-N 130.09 4.619 . . . . 0.0 111.29 170.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -143.88 104.49 4.17 Favored 'General case' 0 C--O 1.276 2.458 1 N-CA-C 97.179 -5.119 . . . . 0.0 97.179 -171.27 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.7 t -151.12 145.75 25.67 Favored 'General case' 0 C--O 1.271 2.198 1 CA-C-O 131.562 5.458 . . . . 0.0 100.436 -166.462 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.17 145.35 37.74 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 108.916 -3.766 . . . . 0.0 112.679 167.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.7 t -54.45 -49.25 70.48 Favored 'General case' 0 N--CA 1.534 3.774 1 CA-C-O 110.852 -4.404 . . . . 0.0 114.169 161.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -59.21 76.4 0.01 OUTLIER 'General case' 1 CA--C 1.644 4.578 1 O-C-N 129.58 4.3 . . . . 0.0 115.92 158.652 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.9 t -164.31 79.39 1.44 Allowed Pre-proline 0 N--CA 1.534 3.748 0 CA-C-N 120.205 1.366 . . . . 0.0 110.505 -171.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.88 -43.97 38.82 Favored 'Trans proline' 1 CA--C 1.613 4.452 1 C-N-CA 125.491 4.128 . . . . 0.0 115.982 163.42 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.287 52.8 Cg_exo -46.06 -58.5 1.62 Allowed 'Trans proline' 0 CA--C 1.593 3.43 0 C-N-CA 124.377 3.384 . . . . 0.0 115.649 165.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.649 ' HA ' HG22 ' A' ' 44' ' ' ILE 0.443 38.6 m -56.48 -28.21 59.1 Favored 'General case' 0 C--N 1.363 1.183 1 N-CA-C 123.889 4.774 . . . . 0.0 123.889 158.706 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.288 81.8 tttt -51.41 -52.31 47.21 Favored 'General case' 0 CA--C 1.603 3.012 0 CA-C-N 122.657 2.481 . . . . 0.0 111.442 168.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.389 4.4 ptt? -61.96 -52.88 62.24 Favored 'General case' 0 N--CA 1.53 3.563 0 N-CA-C 119.714 3.227 . . . . 0.0 119.714 156.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.649 HG22 ' HA ' ' A' ' 41' ' ' CYS 0.617 1.2 tp -43.89 -37.5 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.364 1 N-CA-C 122.271 4.174 . . . . 0.0 122.271 177.865 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.21 -52.79 70.13 Favored Pre-proline 0 N--CA 1.504 2.254 0 CA-C-O 115.716 -2.088 . . . . 0.0 114.822 165.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.84 -48.33 18.27 Favored 'Trans proline' 0 C--N 1.385 2.463 0 CA-C-N 124.57 2.668 . . . . 0.0 118.743 158.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.269 51.5 mm -55.3 -52.19 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.192 0 O-C-N 118.266 -2.771 . . . . 0.0 111.648 172.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -57.43 -43.69 84.05 Favored 'General case' 0 CA--C 1.6 2.883 0 O-C-N 119.272 -2.143 . . . . 0.0 113.11 175.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.54 -46.33 87.06 Favored 'General case' 0 CA--C 1.579 2.073 1 N-CA-C 123.239 4.533 . . . . 0.0 123.239 160.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.331 18.6 tt0 -54.22 -42.67 70.09 Favored 'General case' 0 N--CA 1.513 2.706 0 CA-C-O 128.031 3.777 . . . . 0.0 117.263 165.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -59.42 -52.65 64.69 Favored 'General case' 0 C--N 1.279 -2.498 0 CA-C-N 112.047 -2.342 . . . . 0.0 115.352 171.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.6 -46.05 73.73 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 118.03 2.604 . . . . 0.0 118.03 170.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -51.64 -43.54 62.65 Favored 'General case' 0 CA--C 1.618 3.572 0 C-N-CA 125.515 1.526 . . . . 0.0 114.978 164.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.3 36.9 ttmt -62.47 -31.04 71.71 Favored 'General case' 0 CA--C 1.607 3.147 0 N-CA-C 117.078 2.251 . . . . 0.0 117.078 173.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.494 ' HB3' ' CG1' ' A' ' 58' ' ' VAL . 4.7 m-85 -134.38 93.09 19.56 Favored Pre-proline 0 CA--C 1.611 3.309 0 C-N-CA 129.815 3.246 . . . . 0.0 109.463 -153.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -67.22 -29.85 38.5 Favored 'Trans proline' 0 CA--C 1.575 2.568 2 C-N-CA 130.754 7.636 . . . . 0.0 126.308 172.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -66.25 0.19 2.2 Favored 'General case' 0 C--O 1.274 2.392 0 O-C-N 126.366 2.291 . . . . 0.0 116.37 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 55' ' ' PHE 0.272 4.3 p -146.9 112.95 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.404 0 CA-C-O 124.477 2.084 . . . . 0.0 106.996 -148.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 95.8 m -70.34 154.07 42.32 Favored 'General case' 0 N--CA 1.526 3.369 0 CA-C-N 111.077 -2.783 . . . . 0.0 111.39 164.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -149.21 134.08 17.94 Favored 'General case' 0 CA--C 1.573 1.859 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -171.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.451 ' HA ' ' O ' ' A' ' 7' ' ' ILE . 2.7 pp -154.71 164.8 38.23 Favored 'General case' 0 C--N 1.388 2.264 0 N-CA-C 104.373 -2.455 . . . . 0.0 104.373 -171.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -156.5 127.59 6.93 Favored 'General case' 0 CA--C 1.558 1.276 0 O-C-N 118.434 -2.666 . . . . 0.0 112.557 -169.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.7 t -93.19 124.79 45.74 Favored 'Isoleucine or valine' 0 C--O 1.248 0.993 0 CA-C-O 126.379 2.99 . . . . 0.0 107.828 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -70.8 107.67 4.1 Favored 'General case' 1 N--CA 1.561 5.112 1 O-C-N 115.992 -4.192 . . . . 0.0 108.2 146.86 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.373 0.3 OUTLIER -64.98 -43.04 96.21 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.408 0 C-N-CA 127.889 2.476 . . . . 0.0 114.627 -177.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.71 -45.99 4.93 Favored 'General case' 0 N--CA 1.521 3.091 0 O-C-N 119.532 -1.98 . . . . 0.0 114.607 168.194 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -53.72 -52.2 60.85 Favored 'General case' 0 CA--C 1.568 1.649 0 N-CA-C 121.77 3.989 . . . . 0.0 121.77 160.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.0 mt -134.01 45.95 2.57 Favored 'General case' 0 CA--C 1.604 3.055 0 C-N-CA 131.439 3.895 . . . . 0.0 112.975 -160.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.507 19.0 ptpt -57.24 -45.18 84.16 Favored 'General case' 0 C--N 1.284 -2.248 0 O-C-N 118.692 -2.505 . . . . 0.0 116.61 172.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.72 -72.52 0.06 Allowed 'General case' 0 CA--C 1.576 1.954 0 C-N-CA 130.441 3.497 . . . . 0.0 118.562 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.426 HG21 ' NE1' ' A' ' 15' ' ' TRP . 7.1 p -64.53 -38.32 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.129 0 CA-C-N 108.837 -3.801 . . . . 0.0 117.76 166.001 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.67 -40.55 75.74 Favored 'General case' 0 N--CA 1.534 3.745 1 O-C-N 114.937 -4.852 . . . . 0.0 110.83 171.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 76' ' ' ASN 0.311 36.4 tt0 -57.71 -53.84 53.68 Favored 'General case' 0 C--N 1.285 -2.203 1 O-C-N 116.082 -4.136 . . . . 0.0 116.194 167.947 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.275 0.0 OUTLIER -53.17 -41.45 65.21 Favored 'General case' 0 C--O 1.304 3.969 0 N-CA-C 120.201 3.408 . . . . 0.0 120.201 172.649 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -59.74 -51.62 68.97 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 125.025 3.557 . . . . 0.0 112.975 161.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' A' ' 73' ' ' GLU . 5.4 t-20 153.53 83.95 0.0 OUTLIER 'General case' 2 CA--C 1.653 4.915 1 CA-C-O 129.478 4.466 . . . . 0.0 106.837 149.206 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.5 t -131.63 94.24 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.588 2.422 0 O-C-N 117.035 -3.54 . . . . 0.0 108.735 -176.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.27 0.0 OUTLIER -89.0 -26.24 21.57 Favored 'General case' 1 C--O 1.139 -4.733 1 CA-C-N 108.015 -4.175 . . . . 0.0 116.112 164.66 . . . . . . . . 5 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.66 144.05 30.18 Favored 'General case' 1 N--CA 1.541 4.118 0 O-C-N 116.587 -3.821 . . . . 0.0 109.851 -160.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.7 mmt -91.1 113.83 59.55 Favored Pre-proline 0 C--O 1.267 1.979 0 O-C-N 117.219 -3.426 . . . . 0.0 106.845 173.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.409 97.6 Cg_endo -155.62 142.45 0.0 OUTLIER 'Cis proline' 1 C--N 1.46 6.41 1 N-CA-C 123.871 4.527 . . . . 0.0 123.871 3.071 . . . . . . . . 4 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.7 m -122.2 127.72 50.33 Favored 'General case' 0 C--N 1.309 -1.186 1 CA-C-N 105.411 -5.359 . . . . 0.0 104.12 -134.112 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -119.08 121.17 39.22 Favored 'General case' 0 C--N 1.39 2.327 3 CA-C-N 107.384 -4.462 . . . . 0.0 99.377 -163.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.258 1.4 mt -122.32 161.36 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.396 0 CA-C-O 126.473 3.035 . . . . 0.0 106.357 -175.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -142.26 104.62 4.47 Favored 'General case' 1 N--CA 1.541 4.075 0 N-CA-C 102.441 -3.17 . . . . 0.0 102.441 -157.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.79 121.25 19.32 Favored 'General case' 0 CA--C 1.586 2.351 0 N-CA-C 102.394 -3.187 . . . . 0.0 102.394 -171.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -113.01 166.88 11.0 Favored 'General case' 0 CA--C 1.581 2.154 0 C-N-CA 130.834 3.653 . . . . 0.0 109.125 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -66.85 63.46 0.05 Allowed 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 119.245 3.054 . . . . 0.0 119.245 156.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 174.98 53.01 0.05 OUTLIER Glycine 0 CA--C 1.555 2.584 0 C-N-CA 129.502 3.43 . . . . 0.0 109.205 169.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.255 53.4 mtmt 65.24 -176.35 0.18 Allowed 'General case' 1 N--CA 1.539 4.022 1 C-N-CA 132.709 4.404 . . . . 0.0 121.746 -177.115 . . . . . . . . 4 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.43 96.85 0.12 Allowed 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 125.866 1.667 . . . . 0.0 114.477 171.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.289 29.2 m -67.3 -54.92 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.612 3.336 0 CA-C-O 115.821 -2.038 . . . . 0.0 115.656 174.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.02 169.15 24.01 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 120.157 3.391 . . . . 0.0 120.157 -169.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.9 128.3 3.21 Favored 'General case' 0 CA--C 1.579 2.06 0 O-C-N 125.006 1.441 . . . . 0.0 112.291 -170.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.5 m -146.55 148.58 32.3 Favored 'General case' 0 CA--C 1.582 2.176 0 C-N-CA 126.555 1.942 . . . . 0.0 106.546 -173.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -140.63 98.63 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.616 3.502 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 -165.018 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 174.48 121.19 0.62 Allowed Glycine 0 CA--C 1.558 2.771 0 O-C-N 128.674 3.734 . . . . 0.0 106.735 168.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . 0.324 . . -67.65 101.67 1.06 Allowed 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 112.148 -2.026 . . . . 0.0 111.804 159.463 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -152.56 115.16 4.53 Favored 'General case' 0 CA--C 1.562 1.429 0 N-CA-C 100.793 -3.78 . . . . 0.0 100.793 -170.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.15 -54.48 6.8 Favored 'General case' 0 N--CA 1.522 3.131 0 N-CA-C 118.979 2.955 . . . . 0.0 118.979 -177.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.256 6.1 p-10 -65.94 -56.8 9.88 Favored 'General case' 0 N--CA 1.511 2.622 0 C-N-CA 127.607 2.363 . . . . 0.0 114.704 167.327 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -34.9 -56.78 0.82 Allowed Glycine 1 N--CA 1.531 4.99 0 N-CA-C 120.847 3.099 . . . . 0.0 120.847 178.303 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.33 17.7 tp -48.63 -63.25 1.67 Allowed Pre-proline 0 CA--C 1.611 3.296 0 C-N-CA 127.892 2.477 . . . . 0.0 113.886 170.149 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -47.67 -44.37 26.33 Favored 'Trans proline' 0 C--N 1.368 1.589 0 N-CA-C 121.795 3.729 . . . . 0.0 121.795 167.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.325 5.7 m -48.13 -61.35 2.02 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 127.234 2.834 . . . . 0.0 115.261 175.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.92 -56.1 22.75 Favored 'General case' 0 CA--C 1.578 2.05 0 CA-C-O 114.092 -2.861 . . . . 0.0 114.504 175.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.278 40.4 t -45.56 -40.44 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.187 0 CA-C-N 123.739 2.972 . . . . 0.0 117.096 165.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.01 -48.36 80.27 Favored 'General case' 0 C--N 1.378 1.828 0 N-CA-C 118.994 2.961 . . . . 0.0 118.994 176.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -62.01 -42.3 99.01 Favored 'General case' 0 CA--C 1.62 3.664 0 CA-C-N 112.306 -2.225 . . . . 0.0 111.677 165.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.599 ' HB3' HD21 ' A' ' 28' ' ' LEU . 22.0 m-70 -54.05 -58.03 8.86 Favored 'General case' 0 CA--C 1.591 2.548 1 O-C-N 114.886 -4.884 . . . . 0.0 118.829 165.52 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.527 3.412 0 N-CA-C 119.412 3.116 . . . . 0.0 119.412 174.047 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.271 0.3 OUTLIER . . . . . 0 N--CA 1.502 2.163 0 CA-C-O 122.522 1.153 . . . . 0.0 109.127 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.72 158.96 51.85 Favored Glycine 0 N--CA 1.513 3.801 0 C-N-CA 127.442 2.449 . . . . 0.0 112.459 164.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -144.16 116.03 8.29 Favored 'General case' 0 C--O 1.179 -2.629 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 -155.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.4 t -90.31 116.77 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-O 125.012 2.339 . . . . 0.0 108.499 172.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -132.37 121.23 45.29 Favored 'Isoleucine or valine' 0 CA--C 1.612 3.355 0 C-N-CA 129.367 3.067 . . . . 0.0 106.696 -176.238 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.72 149.3 49.4 Favored 'General case' 0 CA--C 1.583 2.241 0 N-CA-C 117.292 2.33 . . . . 0.0 117.292 166.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.532 ' SG ' HD13 ' A' ' 61' ' ' LEU . 82.2 m -138.24 139.06 39.05 Favored 'General case' 0 CA--C 1.594 2.669 0 CA-C-O 125.666 2.651 . . . . 0.0 110.828 -167.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -149.36 -11.17 0.31 Allowed 'General case' 0 CA--C 1.588 2.417 0 O-C-N 118.644 -2.535 . . . . 0.0 115.49 -165.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.5 p -155.69 -174.48 4.98 Favored 'General case' 0 C--N 1.391 2.379 0 O-C-N 116.982 -3.574 . . . . 0.0 106.872 -163.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.343 14.8 p -55.77 -23.01 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.554 0 O-C-N 118.642 -2.536 . . . . 0.0 116.293 166.045 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -50.33 -45.96 55.25 Favored 'General case' 0 N--CA 1.519 2.982 0 N-CA-C 118.408 2.744 . . . . 0.0 118.408 167.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.7 -33.91 72.21 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 119.181 3.03 . . . . 0.0 119.181 162.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -54.3 -42.54 70.2 Favored 'General case' 0 CA--C 1.586 2.354 0 CA-C-O 115.468 -2.206 . . . . 0.0 112.812 165.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -60.26 -58.6 7.83 Favored 'General case' 0 CA--C 1.585 2.297 0 O-C-N 128.546 3.654 . . . . 0.0 114.13 164.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.32 27.2 mt-10 -43.72 -59.0 2.41 Favored 'General case' 0 N--CA 1.538 3.969 0 O-C-N 119.104 -2.248 . . . . 0.0 116.326 175.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -51.97 -66.11 0.44 Allowed 'General case' 0 CA--C 1.607 3.144 1 CA-C-O 129.005 4.241 . . . . 0.0 115.081 -177.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.25 41.1 m-85 -60.64 -58.21 9.45 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 113.807 -2.997 . . . . 0.0 117.385 177.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -53.34 -50.33 65.25 Favored 'General case' 0 N--CA 1.529 3.489 0 O-C-N 127.129 2.768 . . . . 0.0 115.793 174.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -59.73 -59.94 4.63 Favored 'General case' 0 CA--C 1.586 2.365 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 170.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.34 -83.93 0.02 OUTLIER Glycine 0 N--CA 1.512 3.737 0 C-N-CA 127.1 2.286 . . . . 0.0 114.498 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -71.81 97.95 1.89 Allowed 'General case' 0 C--O 1.268 2.066 0 CA-C-O 127.641 3.591 . . . . 0.0 111.226 154.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.95 -46.66 0.36 Allowed Glycine 0 CA--C 1.534 1.237 0 CA-C-N 109.805 -3.361 . . . . 0.0 114.482 163.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -110.85 140.52 45.23 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 129.145 3.497 . . . . 0.0 104.373 -172.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -60.57 72.87 0.01 OUTLIER 'General case' 0 N--CA 1.533 3.68 0 CA-C-O 127.887 3.708 . . . . 0.0 116.557 169.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -162.27 155.97 20.99 Favored 'General case' 0 C--N 1.418 3.558 1 O-C-N 116.122 -4.111 . . . . 0.0 115.272 -176.274 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.7 tp -83.75 153.79 23.94 Favored 'General case' 0 N--CA 1.526 3.329 0 C-N-CA 126.119 1.768 . . . . 0.0 108.616 155.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -151.71 135.38 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 N-CA-C 103.291 -2.855 . . . . 0.0 103.291 -174.225 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.8 142.41 44.06 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 C-N-CA 128.605 2.762 . . . . 0.0 109.65 -167.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.306 1.0 OUTLIER -151.33 103.85 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.622 3.723 0 O-C-N 120.06 -1.65 . . . . 0.0 106.929 -166.071 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -76.33 104.38 6.83 Favored 'General case' 0 CA--C 1.601 2.926 0 C-N-CA 131.675 3.99 . . . . 0.0 113.13 170.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -86.6 105.08 16.61 Favored 'General case' 0 C--O 1.299 3.66 0 C-N-CA 129.49 3.116 . . . . 0.0 103.216 171.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.3 t -158.04 157.66 33.34 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 119.752 -1.842 . . . . 0.0 109.492 -173.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.281 . . -100.44 147.65 25.62 Favored 'General case' 0 N--CA 1.508 2.433 0 CA-C-O 126.101 2.858 . . . . 0.0 108.989 176.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 t -52.87 -40.85 63.78 Favored 'General case' 0 N--CA 1.535 3.805 0 N-CA-C 117.647 2.462 . . . . 0.0 117.647 168.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.359 47.4 p-90 -71.31 79.02 0.73 Allowed 'General case' 0 CA--C 1.571 1.78 0 O-C-N 127.486 2.991 . . . . 0.0 112.957 160.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.7 t -164.0 94.63 1.02 Allowed Pre-proline 0 CA--C 1.559 1.294 0 N-CA-C 104.117 -2.549 . . . . 0.0 104.117 176.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.262 6.9 Cg_endo -53.84 -43.51 57.42 Favored 'Trans proline' 1 CA--C 1.608 4.175 1 C-N-CA 125.347 4.031 . . . . 0.0 116.393 167.322 . . . . . . . . 4 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.381 39.6 Cg_exo -47.5 -56.57 2.95 Favored 'Trans proline' 0 C--N 1.372 1.805 1 C-N-CA 126.14 4.56 . . . . 0.0 117.914 168.082 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.446 ' HA ' HG22 ' A' ' 44' ' ' ILE 0.289 71.8 m -63.84 -18.72 64.42 Favored 'General case' 0 CA--C 1.478 -1.797 0 N-CA-C 119.907 3.299 . . . . 0.0 119.907 158.851 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.277 62.7 mttp -54.21 -58.99 5.3 Favored 'General case' 0 N--CA 1.517 2.904 0 O-C-N 116.375 -3.953 . . . . 0.0 114.135 160.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.384 15.3 ptt? -50.98 -38.01 48.32 Favored 'General case' 1 CA--C 1.656 5.05 0 O-C-N 117.281 -3.387 . . . . 0.0 120.082 162.666 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.446 HG22 ' HA ' ' A' ' 41' ' ' CYS 0.521 1.0 OUTLIER -64.08 -24.75 36.48 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.493 0 N-CA-C 119.264 3.061 . . . . 0.0 119.264 168.859 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.298 . . -56.24 -63.49 3.32 Favored Pre-proline 0 N--CA 1.501 2.091 0 CA-C-N 123.626 2.921 . . . . 0.0 114.699 164.218 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . 0.316 28.1 Cg_endo -48.82 -39.34 39.12 Favored 'Trans proline' 0 C--O 1.259 1.542 0 N-CA-C 120.73 3.319 . . . . 0.0 120.73 159.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.42 46.8 mm -60.48 -52.51 60.55 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.907 0 CA-C-N 123.793 2.997 . . . . 0.0 112.771 173.427 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -47.62 -55.5 9.21 Favored 'General case' 0 CA--C 1.571 1.782 0 CA-C-O 113.866 -2.969 . . . . 0.0 114.175 169.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.09 -44.3 87.54 Favored 'General case' 0 CA--C 1.61 3.263 1 N-CA-C 123.959 4.8 . . . . 0.0 123.959 165.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.341 3.1 tm-20 -45.12 -64.79 0.64 Allowed 'General case' 0 CA--C 1.588 2.436 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 166.447 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 55' ' ' PHE 0.346 0.7 OUTLIER -61.15 -37.72 83.89 Favored 'General case' 0 CA--C 1.604 3.036 0 O-C-N 127.916 3.26 . . . . 0.0 114.574 174.078 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.42 -45.84 73.08 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 118.374 -2.704 . . . . 0.0 117.409 162.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -59.74 -30.35 68.78 Favored 'General case' 0 N--CA 1.528 3.426 0 N-CA-C 120.234 3.42 . . . . 0.0 120.234 163.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -66.25 -40.84 90.47 Favored 'General case' 0 CA--C 1.583 2.239 0 CA-C-O 123.545 1.64 . . . . 0.0 113.795 170.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.438 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 2.0 m-85 -126.95 99.47 28.88 Favored Pre-proline 0 CA--C 1.6 2.889 0 C-N-CA 130.413 3.485 . . . . 0.0 103.43 -155.322 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.356 35.6 Cg_endo -73.42 -24.4 16.44 Favored 'Trans proline' 1 CA--C 1.611 4.367 2 C-N-CA 132.274 8.65 . . . . 0.0 122.994 176.438 . . . . . . . . 4 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -79.53 18.17 0.77 Allowed 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 129.723 3.209 . . . . 0.0 117.262 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.409 HG13 ' CE2' ' A' ' 60' ' ' PHE 0.258 7.7 p -155.41 118.74 0.44 Allowed 'Isoleucine or valine' 1 CA--C 1.655 4.986 0 C-N-CA 116.723 -1.991 . . . . 0.0 109.353 -158.432 . . . . . . . . 4 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.1 m -84.76 154.96 22.07 Favored 'General case' 0 CA--C 1.574 1.88 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 169.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.409 ' CE2' HG13 ' A' ' 58' ' ' VAL . 97.2 m-85 -145.92 129.2 16.74 Favored 'General case' 0 CA--C 1.585 2.325 0 CA-C-N 109.545 -3.479 . . . . 0.0 109.977 -171.71 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.532 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.418 2.1 pp -144.14 158.61 43.62 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 127.299 3.428 . . . . 0.0 103.602 -170.4 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -150.76 114.53 4.97 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 110.89 -2.868 . . . . 0.0 111.773 -174.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 73.9 t -84.72 128.68 38.72 Favored 'Isoleucine or valine' 0 C--N 1.36 1.056 0 C-N-CA 127.976 2.51 . . . . 0.0 112.134 173.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -69.38 100.27 1.34 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.573 1.949 . . . . 0.0 108.365 156.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.389 8.9 p -48.09 -41.19 9.76 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.93 0 N-CA-C 118.88 2.918 . . . . 0.0 118.88 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -50.25 -33.19 18.84 Favored 'General case' 0 N--CA 1.517 2.901 0 N-CA-C 118.57 2.804 . . . . 0.0 118.57 171.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -62.89 -54.6 36.2 Favored 'General case' 0 N--CA 1.517 2.886 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 163.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.7 mt -130.07 48.75 2.35 Favored 'General case' 0 CA--C 1.579 2.067 0 C-N-CA 128.749 2.82 . . . . 0.0 109.063 -158.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -65.02 -48.27 74.52 Favored 'General case' 0 CA--C 1.616 3.495 0 CA-C-O 114.398 -2.715 . . . . 0.0 116.941 165.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.252 . . -50.71 -55.06 18.35 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 128.644 2.778 . . . . 0.0 113.65 173.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.338 5.4 p -61.85 -50.19 81.16 Favored 'Isoleucine or valine' 0 CA--C 1.612 3.34 0 N-CA-C 118.325 2.713 . . . . 0.0 118.325 167.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 77' ' ' VAL . . . -44.76 -51.11 9.69 Favored 'General case' 0 C--O 1.27 2.152 0 N-CA-C 115.467 1.655 . . . . 0.0 115.467 168.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -52.16 -47.12 65.65 Favored 'General case' 0 C--N 1.382 2.019 0 CA-C-O 116.01 -1.947 . . . . 0.0 115.174 172.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.591 3.8 pt-20 -54.39 -62.98 1.3 Allowed 'General case' 0 C--N 1.396 2.6 1 CA-C-O 111.607 -4.045 . . . . 0.0 116.59 176.131 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -43.28 -47.89 6.65 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-N 124.105 3.139 . . . . 0.0 119.372 166.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.3 t30 151.53 82.63 0.0 OUTLIER 'General case' 1 N--CA 1.544 4.239 0 N-CA-C 100.562 -3.866 . . . . 0.0 100.562 149.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 72' ' ' ALA . 19.3 t -151.26 74.57 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.613 3.396 0 C-N-CA 126.787 2.035 . . . . 0.0 109.683 -169.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -72.69 -7.7 51.75 Favored 'General case' 0 CA--C 1.58 2.106 0 O-C-N 128.76 3.787 . . . . 0.0 118.59 149.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.64 118.53 11.17 Favored 'General case' 0 C--N 1.4 2.792 0 C-N-CA 128.71 2.804 . . . . 0.0 118.001 -163.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -67.95 116.93 43.55 Favored Pre-proline 0 CA--C 1.592 2.558 0 CA-C-N 112.97 -1.923 . . . . 0.0 113.918 166.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.419 29.1 Cg_endo -153.97 128.88 0.0 OUTLIER 'Cis proline' 2 N--CA 1.575 6.291 0 N-CA-C 120.692 3.305 . . . . 0.0 120.692 0.681 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.2 m -95.96 136.05 36.91 Favored 'General case' 1 C--N 1.455 5.161 3 O-C-N 135.799 8.187 . . . . 0.0 99.788 -154.604 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -106.09 129.99 54.08 Favored 'General case' 0 CA--C 1.474 -1.962 1 CA-C-N 103.499 -6.228 . . . . 0.0 103.448 171.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.54 145.25 34.39 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.352 0 C-N-CA 129.213 3.005 . . . . 0.0 108.597 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -141.18 121.27 13.75 Favored 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 124.706 1.202 . . . . 0.0 110.674 -157.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.86 127.64 29.2 Favored 'General case' 1 CA--C 1.653 4.906 1 O-C-N 130.446 4.841 . . . . 0.0 103.797 -170.943 . . . . . . . . 4 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.252 29.9 tptt -95.58 170.78 9.1 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 131.096 3.759 . . . . 0.0 113.722 167.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -59.25 29.17 0.01 OUTLIER 'General case' 0 N--CA 1.521 3.106 0 N-CA-C 117.137 2.273 . . . . 0.0 117.137 157.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.05 40.78 0.21 Allowed Glycine 2 CA--C 1.634 7.502 0 CA-C-O 124.983 2.435 . . . . 0.0 118.43 -178.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.302 19.1 mttt 85.37 178.19 0.04 OUTLIER 'General case' 0 N--CA 1.513 2.686 0 CA-C-O 112.44 -3.648 . . . . 0.0 115.547 171.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.1 tp -47.16 108.91 0.16 Allowed 'General case' 1 CA--C 1.637 4.308 0 O-C-N 126.1 2.125 . . . . 0.0 113.838 172.014 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.266 5.5 m -81.6 -45.36 20.44 Favored 'Isoleucine or valine' 0 C--O 1.262 1.736 0 CA-C-N 112.368 -2.196 . . . . 0.0 114.059 169.207 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -169.55 170.1 8.38 Favored 'General case' 0 N--CA 1.524 3.265 0 CA-C-N 122.061 2.209 . . . . 0.0 113.168 -174.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -153.09 134.37 14.23 Favored 'General case' 0 C--O 1.288 3.129 0 C-N-CA 128.323 2.649 . . . . 0.0 105.969 -178.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 76.7 m -161.48 143.91 12.02 Favored 'General case' 0 N--CA 1.521 3.095 0 CA-C-O 127.402 3.477 . . . . 0.0 107.961 -175.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.307 2.4 p -130.38 108.05 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.81 0 CA-C-N 110.699 -2.955 . . . . 0.0 103.064 -157.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -171.68 -160.39 20.12 Favored Glycine 0 C--N 1.389 3.502 0 CA-C-O 117.137 -1.924 . . . . 0.0 111.267 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -172.47 107.2 0.19 Allowed 'General case' 0 CA--C 1.598 2.818 0 C-N-CA 127.5 2.32 . . . . 0.0 105.092 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -170.12 127.46 0.85 Allowed 'General case' 0 N--CA 1.515 2.814 0 CA-C-N 112.499 -2.137 . . . . 0.0 110.568 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -47.79 -49.91 27.36 Favored 'General case' 0 CA--C 1.602 2.963 0 N-CA-C 120.242 3.423 . . . . 0.0 120.242 174.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -71.32 -42.24 68.84 Favored 'General case' 0 CA--C 1.594 2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 113.856 164.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -43.95 -55.8 5.45 Favored Glycine 1 N--CA 1.534 5.231 0 N-CA-C 121.113 3.205 . . . . 0.0 121.113 177.278 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.66 -53.62 21.18 Favored Pre-proline 0 CA--C 1.591 2.533 0 CA-C-O 116.708 -1.615 . . . . 0.0 112.463 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -43.86 -49.81 7.87 Favored 'Trans proline' 0 N--CA 1.441 -1.58 0 N-CA-C 120.416 3.198 . . . . 0.0 120.416 160.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.4 m -52.1 -60.9 2.65 Favored 'General case' 0 CA--C 1.596 2.719 0 O-C-N 117.856 -3.027 . . . . 0.0 113.639 171.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.359 50.0 tp -51.56 -56.35 14.01 Favored 'General case' 0 CA--C 1.573 1.845 0 C-N-CA 127.276 2.23 . . . . 0.0 114.792 177.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.286 11.7 t -53.58 -56.2 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.836 0 CA-C-O 114.609 -2.615 . . . . 0.0 116.303 163.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.28 -52.57 7.42 Favored 'General case' 0 CA--C 1.609 3.218 0 CA-C-O 124.349 2.024 . . . . 0.0 112.349 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -53.16 -39.78 63.82 Favored 'General case' 0 C--N 1.381 1.955 0 N-CA-C 118.449 2.759 . . . . 0.0 118.449 172.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -71.16 -60.24 2.34 Favored 'General case' 0 CA--C 1.582 2.184 0 CA-C-O 125.646 2.641 . . . . 0.0 117.847 168.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.203 -1.378 0 CA-C-O 112.008 -3.853 . . . . 0.0 117.974 -179.644 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.571 1.784 0 CA-C-O 123.952 1.834 . . . . 0.0 107.097 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -143.85 123.94 13.66 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 -168.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -159.41 156.34 28.24 Favored 'General case' 0 CA--C 1.604 3.057 0 CA-C-N 113.601 -1.636 . . . . 0.0 111.483 -174.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.11 157.83 53.36 Favored Glycine 0 CA--C 1.557 2.658 0 O-C-N 127.81 3.194 . . . . 0.0 109.236 165.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -135.82 111.25 9.14 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 102.603 -3.11 . . . . 0.0 102.603 -165.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -78.84 116.35 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.277 0 C-N-CA 127.265 2.226 . . . . 0.0 109.509 163.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.258 0.3 OUTLIER -120.62 127.27 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 -178.462 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.93 149.14 39.5 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 128.509 2.724 . . . . 0.0 115.249 167.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.3 m -150.98 145.17 25.38 Favored 'General case' 0 CA--C 1.601 2.928 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -160.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -141.55 -42.81 0.36 Allowed 'General case' 0 C--O 1.248 0.975 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -147.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 p -145.29 -169.57 3.23 Favored 'General case' 0 CA--C 1.584 2.251 0 C-N-CA 126.612 1.965 . . . . 0.0 110.903 -162.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.263 8.0 p -48.37 -24.0 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 117.213 2.301 . . . . 0.0 117.213 165.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.5 -39.64 67.78 Favored 'General case' 0 CA--C 1.572 1.802 0 N-CA-C 120.096 3.369 . . . . 0.0 120.096 165.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.326 1.6 t -59.87 -35.13 74.16 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 119.776 3.25 . . . . 0.0 119.776 159.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -49.69 -44.21 47.91 Favored 'General case' 0 C--N 1.377 1.799 0 O-C-N 119.256 -2.153 . . . . 0.0 115.276 163.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -57.77 -56.06 26.8 Favored 'General case' 0 C--O 1.206 -1.233 0 O-C-N 121.131 -0.98 . . . . 0.0 113.608 166.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.33 -61.02 2.9 Favored 'General case' 0 CA--C 1.611 3.304 0 O-C-N 117.717 -3.114 . . . . 0.0 116.06 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -50.66 -65.1 0.62 Allowed 'General case' 0 CA--C 1.573 1.848 0 N-CA-C 116.952 2.204 . . . . 0.0 116.952 176.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.304 7.7 t80 -56.3 -55.76 29.44 Favored 'General case' 0 CA--C 1.591 2.521 1 N-CA-C 123.331 4.567 . . . . 0.0 123.331 177.286 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.535 39.6 mm-40 -63.31 -38.38 90.95 Favored 'General case' 0 CA--C 1.583 2.234 0 N-CA-C 120.971 3.693 . . . . 0.0 120.971 171.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.264 30.6 mmtp -58.57 -65.45 0.65 Allowed 'General case' 0 CA--C 1.568 1.655 0 CA-C-O 117.223 -1.37 . . . . 0.0 114.083 156.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.31 -79.47 0.06 OUTLIER Glycine 1 CA--C 1.585 4.426 0 C-N-CA 128.357 2.884 . . . . 0.0 117.149 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -79.41 78.93 5.9 Favored 'General case' 0 C--N 1.376 1.74 0 C-N-CA 127.541 2.336 . . . . 0.0 112.302 161.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.61 -39.06 0.12 Allowed Glycine 0 C--O 1.248 1.023 0 CA-C-N 112.929 -1.941 . . . . 0.0 116.586 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.9 m -119.43 139.27 52.31 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 129.508 3.123 . . . . 0.0 105.844 -175.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -71.75 87.15 0.96 Allowed 'General case' 0 C--O 1.272 2.289 0 CA-C-N 110.899 -2.864 . . . . 0.0 110.955 166.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -166.41 154.79 10.54 Favored 'General case' 0 CA--C 1.584 2.285 0 O-C-N 127.625 3.078 . . . . 0.0 111.646 176.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.9 tp -76.4 153.09 36.01 Favored 'General case' 0 CA--C 1.583 2.213 0 CA-C-O 123.165 1.459 . . . . 0.0 108.605 153.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -146.45 134.26 15.27 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.076 0 N-CA-C 104.562 -2.385 . . . . 0.0 104.562 -179.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 59.3 t -136.98 134.12 47.98 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.124 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 -166.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 p -147.27 122.64 2.56 Favored 'Isoleucine or valine' 0 C--N 1.369 1.428 0 CA-C-N 112.65 -2.068 . . . . 0.0 108.629 -168.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -81.7 146.03 30.21 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-N 111.878 -2.419 . . . . 0.0 108.331 165.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -125.71 100.06 6.26 Favored 'General case' 0 C--O 1.275 2.426 0 C-N-CA 130.278 3.431 . . . . 0.0 102.988 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.528 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 9.6 t -145.65 138.14 25.73 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 128.896 2.879 . . . . 0.0 107.542 -168.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.27 . . -73.8 139.86 45.44 Favored 'General case' 0 CA--C 1.565 1.531 0 CA-C-N 110.91 -2.859 . . . . 0.0 109.162 161.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.1 t -55.82 -39.78 71.84 Favored 'General case' 0 CA--C 1.609 3.215 0 CA-C-N 112.543 -2.117 . . . . 0.0 115.76 172.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.271 45.6 p-90 -59.86 90.73 0.02 OUTLIER 'General case' 0 C--N 1.374 1.644 0 N-CA-C 119.383 3.105 . . . . 0.0 119.383 143.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.7 t -175.52 89.63 0.29 Allowed Pre-proline 0 CA--C 1.56 1.335 0 C-N-CA 126.098 1.759 . . . . 0.0 106.936 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -56.15 -41.42 76.96 Favored 'Trans proline' 1 CA--C 1.606 4.124 0 C-N-CA 123.046 2.498 . . . . 0.0 115.842 163.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -47.04 -50.25 11.29 Favored 'Trans proline' 0 CA--C 1.574 2.503 0 CA-C-N 127.163 3.594 . . . . 0.0 120.788 162.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.512 77.1 m -60.47 -25.36 65.97 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 121.18 3.77 . . . . 0.0 121.18 159.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -59.98 -43.93 94.82 Favored 'General case' 0 N--CA 1.51 2.57 1 N-CA-C 122.061 4.096 . . . . 0.0 122.061 162.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.268 8.7 ptt? -61.2 -46.09 91.9 Favored 'General case' 0 CA--C 1.625 3.862 0 N-CA-C 116.334 1.976 . . . . 0.0 116.334 157.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.449 1.0 OUTLIER -56.69 -43.32 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 175.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.17 -56.39 10.85 Favored Pre-proline 0 CA--C 1.599 2.852 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 168.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . 0.364 38.8 Cg_exo -48.04 -40.07 33.43 Favored 'Trans proline' 0 C--N 1.375 1.931 1 N-CA-C 123.688 4.457 . . . . 0.0 123.688 157.613 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.417 50.2 mm -57.62 -54.26 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 118.738 -2.476 . . . . 0.0 111.625 171.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.482 ' HD1' HD21 ' A' ' 103' ' ' LEU . 8.9 t80 -55.23 -33.16 62.88 Favored 'General case' 0 C--O 1.251 1.154 0 N-CA-C 117.934 2.568 . . . . 0.0 117.934 169.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.96 -54.08 14.91 Favored 'General case' 0 CA--C 1.602 2.953 0 C-N-CA 131.222 3.809 . . . . 0.0 116.768 164.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -51.79 -52.6 47.81 Favored 'General case' 0 CA--C 1.592 2.575 0 O-C-N 116.922 -3.612 . . . . 0.0 112.989 169.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -51.34 -46.42 62.66 Favored 'General case' 0 N--CA 1.526 3.374 0 O-C-N 118.446 -2.659 . . . . 0.0 115.529 168.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.09 -50.4 20.02 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 120.193 3.405 . . . . 0.0 120.193 166.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -57.05 -29.7 63.64 Favored 'General case' 0 N--CA 1.514 2.76 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 165.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.298 17.4 ttmt -70.77 -34.1 71.45 Favored 'General case' 0 CA--C 1.593 2.611 0 C-N-CA 130.919 3.688 . . . . 0.0 114.261 172.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.417 ' HB3' ' CG1' ' A' ' 58' ' ' VAL . 6.8 m-85 -133.93 94.67 18.2 Favored Pre-proline 0 CA--C 1.621 3.68 0 C-N-CA 127.871 2.468 . . . . 0.0 105.925 -158.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.3 86.2 Cg_endo -69.52 -33.84 16.64 Favored 'Trans proline' 0 C--O 1.27 2.107 2 N-CA-C 126.079 5.376 . . . . 0.0 126.079 166.455 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.276 17.9 p30 -61.29 -4.39 1.19 Allowed 'General case' 0 CA--C 1.602 2.969 0 C-N-CA 129.05 2.94 . . . . 0.0 115.903 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 55' ' ' PHE . 6.4 p -145.28 108.67 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.587 2.396 0 CA-C-O 123.49 1.614 . . . . 0.0 107.954 -150.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.9 m -68.47 152.46 45.36 Favored 'General case' 0 CA--C 1.594 2.635 0 CA-C-O 125.909 2.766 . . . . 0.0 112.196 166.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -138.5 131.34 29.51 Favored 'General case' 0 CA--C 1.558 1.267 0 CA-C-N 112.679 -2.055 . . . . 0.0 108.126 -169.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.432 0.6 OUTLIER -153.73 160.07 42.18 Favored 'General case' 0 N--CA 1.432 -1.352 0 C-N-CA 125.207 1.403 . . . . 0.0 107.567 -171.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -156.75 122.44 4.79 Favored 'General case' 0 N--CA 1.53 3.565 0 N-CA-C 105.028 -2.212 . . . . 0.0 105.028 -168.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.4 t -102.47 125.86 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.603 0 C-N-CA 130.169 3.388 . . . . 0.0 111.139 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -66.11 102.89 0.87 Allowed 'General case' 0 N--CA 1.522 3.163 1 O-C-N 129.76 4.413 . . . . 0.0 110.633 159.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.282 1.6 p -52.69 -44.8 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.323 0 CA-C-N 113.656 -1.611 . . . . 0.0 113.438 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.361 5.3 m-20 -49.06 -45.52 43.05 Favored 'General case' 0 N--CA 1.517 2.908 0 C-N-CA 125.606 1.562 . . . . 0.0 112.849 170.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.379 34.3 mt-10 -58.43 -40.27 82.04 Favored 'General case' 0 N--CA 1.507 2.424 0 N-CA-C 120.881 3.66 . . . . 0.0 120.881 165.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.5 mt -148.99 54.35 0.98 Allowed 'General case' 0 CA--C 1.579 2.071 0 CA-C-O 123.896 1.808 . . . . 0.0 109.861 -162.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -66.44 -40.97 89.77 Favored 'General case' 0 N--CA 1.49 1.556 1 CA-C-O 109.437 -5.078 . . . . 0.0 118.728 166.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.452 . . -41.79 -65.14 0.48 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 127.644 3.09 . . . . 0.0 117.119 172.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.0 p -59.42 -44.5 92.79 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 O-C-N 127.544 3.028 . . . . 0.0 118.561 165.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 77' ' ' VAL . . . -51.33 -51.61 52.84 Favored 'General case' 1 N--CA 1.549 4.478 1 O-C-N 115.206 -4.684 . . . . 0.0 112.14 177.849 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -57.79 -52.21 66.42 Favored 'General case' 0 N--CA 1.506 2.343 0 CA-C-N 109.118 -3.674 . . . . 0.0 108.526 174.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.549 0.0 OUTLIER -46.79 -53.89 10.97 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-N 123.446 2.839 . . . . 0.0 116.234 174.064 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -51.48 -52.43 46.66 Favored 'General case' 0 CA--C 1.581 2.156 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 173.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.28 26.0 t-20 151.15 97.69 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.919 0 O-C-N 127.615 3.072 . . . . 0.0 102.752 157.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 72' ' ' ALA . 15.7 t -154.38 76.16 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.511 2.615 1 N-CA-C 99.346 -4.316 . . . . 0.0 99.346 -173.369 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.299 0.9 OUTLIER -68.62 -10.45 56.11 Favored 'General case' 0 CA--C 1.614 3.408 0 C-N-CA 126.76 2.024 . . . . 0.0 116.105 147.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.0 140.11 22.08 Favored 'General case' 1 CA--C 1.649 4.769 0 CA-C-O 127.648 3.594 . . . . 0.0 110.19 -162.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.528 ' SD ' ' HA ' ' A' ' 34' ' ' THR . 31.9 mmt -78.02 115.44 50.53 Favored Pre-proline 1 N--CA 1.593 6.725 0 O-C-N 118.575 -2.578 . . . . 0.0 111.419 164.623 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 80' ' ' MET 0.447 35.0 Cg_endo -154.25 142.75 0.0 OUTLIER 'Cis proline' 2 C--N 1.46 6.438 2 CA-C-O 136.051 6.605 . . . . 0.0 105.273 1.263 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 96' ' ' VAL . 18.8 m -110.05 112.99 25.34 Favored 'General case' 2 N--CA 1.56 5.047 1 CA-C-N 102.61 -6.632 . . . . 0.0 107.385 -152.975 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.421 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 44.6 m-85 -87.81 120.24 28.94 Favored 'General case' 0 CA--C 1.563 1.472 0 C-N-CA 129.031 2.932 . . . . 0.0 112.672 163.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 30' ' ' VAL 0.476 1.7 mt -107.41 153.92 8.56 Favored 'Isoleucine or valine' 0 C--O 1.296 3.546 1 C-N-CA 132.0 4.12 . . . . 0.0 111.703 177.326 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -135.28 107.56 7.26 Favored 'General case' 0 N--CA 1.484 1.242 1 CA-C-N 108.01 -4.177 . . . . 0.0 111.845 -167.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.13 124.93 16.97 Favored 'General case' 0 N--CA 1.405 -2.707 0 N-CA-C 100.939 -3.726 . . . . 0.0 100.939 -167.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -125.94 178.31 5.82 Favored 'General case' 0 CA--C 1.577 1.981 0 CA-C-N 110.462 -3.063 . . . . 0.0 107.132 -168.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -62.86 49.01 0.01 OUTLIER 'General case' 0 CA--C 1.629 4.0 0 N-CA-C 118.121 2.637 . . . . 0.0 118.121 158.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.12 59.92 0.06 OUTLIER Glycine 0 C--N 1.289 -2.037 0 C-N-CA 128.34 2.876 . . . . 0.0 116.217 168.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.535 ' HG2' ' H ' ' A' ' 91' ' ' LEU 0.422 39.3 ttmt 56.18 -167.11 0.11 Allowed 'General case' 0 CA--C 1.602 2.973 0 N-CA-C 119.786 3.254 . . . . 0.0 119.786 -172.013 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.535 ' H ' ' HG2' ' A' ' 90' ' ' LYS . 43.4 tp -56.22 101.25 0.05 Allowed 'General case' 0 N--CA 1.512 2.64 0 CA-C-O 123.612 1.673 . . . . 0.0 112.578 167.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.459 27.6 m -69.41 -51.41 42.62 Favored 'Isoleucine or valine' 0 C--N 1.393 2.484 0 N-CA-C 117.988 2.588 . . . . 0.0 117.988 167.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -152.26 162.09 41.65 Favored 'General case' 0 CA--C 1.575 1.905 0 CA-C-O 122.942 1.354 . . . . 0.0 112.974 -169.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.47 135.29 21.14 Favored 'General case' 0 CA--C 1.592 2.583 0 CA-C-N 109.6 -3.455 . . . . 0.0 111.072 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.1 m -164.67 138.33 5.04 Favored 'General case' 0 CA--C 1.585 2.31 0 C-N-CA 130.584 3.554 . . . . 0.0 107.27 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -139.42 105.48 2.4 Favored 'Isoleucine or valine' 0 C--O 1.269 2.085 1 N-CA-C 98.885 -4.487 . . . . 0.0 98.885 -162.779 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 167.94 118.61 0.45 Allowed Glycine 0 C--O 1.179 -3.325 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 166.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . 0.298 . . -60.83 115.41 3.66 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 125.293 1.437 . . . . 0.0 113.058 163.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -159.62 120.37 3.13 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 -175.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.466 46.0 pttt -45.41 -62.52 1.24 Allowed 'General case' 0 CA--C 1.587 2.394 1 N-CA-C 121.888 4.033 . . . . 0.0 121.888 176.066 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -65.38 -35.38 80.79 Favored 'General case' 0 N--CA 1.539 3.997 0 C-N-CA 126.775 2.03 . . . . 0.0 115.009 164.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -42.38 -69.21 0.62 Allowed Glycine 0 N--CA 1.496 2.637 0 N-CA-C 119.191 2.436 . . . . 0.0 119.191 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.482 HD21 ' HD1' ' A' ' 48' ' ' PHE 0.397 41.8 tp -44.53 -66.08 0.52 Allowed Pre-proline 0 CA--C 1.599 2.864 0 O-C-N 128.464 3.097 . . . . 0.0 111.45 172.297 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -43.21 -44.25 9.99 Favored 'Trans proline' 0 C--N 1.388 2.631 0 N-CA-C 120.465 3.217 . . . . 0.0 120.465 172.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.84 -57.76 10.71 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 124.991 1.432 . . . . 0.0 112.365 167.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.27 23.8 tp -47.2 -58.8 3.67 Favored 'General case' 0 CA--C 1.482 -1.641 0 C-N-CA 129.402 3.081 . . . . 0.0 116.57 177.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.46 -56.36 12.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.429 0 CA-C-O 115.215 -2.326 . . . . 0.0 112.918 167.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -39.45 -50.83 2.14 Favored 'General case' 0 N--CA 1.504 2.26 1 N-CA-C 123.524 4.638 . . . . 0.0 123.524 169.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -55.59 -57.26 12.67 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 167.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.483 59.9 m-70 -56.48 -57.78 10.85 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 120.685 3.587 . . . . 0.0 120.685 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.86 -43.62 90.84 Favored 'General case' 0 CA--C 1.604 3.056 0 CA-C-O 115.358 -2.258 . . . . 0.0 115.673 168.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 29.7 m -47.91 -52.43 19.44 Favored 'General case' 2 N--CA 1.547 4.404 0 CA-C-N 122.731 2.514 . . . . 0.0 116.461 160.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.196 -1.723 0 C-N-CA 131.579 3.952 . . . . 0.0 108.62 174.798 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.231 0 CA-C-O 125.522 2.582 . . . . 0.0 106.423 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -151.81 112.93 4.27 Favored 'General case' 0 C--O 1.254 1.313 0 CA-C-N 112.466 -2.152 . . . . 0.0 109.042 -171.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -157.1 165.9 34.76 Favored 'General case' 0 CA--C 1.584 2.255 0 CA-C-O 122.19 0.995 . . . . 0.0 113.61 -166.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.38 164.33 50.66 Favored Glycine 0 C--N 1.367 2.294 0 CA-C-N 113.184 -1.826 . . . . 0.0 114.386 159.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -150.17 125.39 10.06 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 104.497 -2.408 . . . . 0.0 104.497 -173.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.2 t -88.98 125.39 42.04 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.43 0 C-N-CA 130.027 3.331 . . . . 0.0 114.086 164.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.41 126.97 62.0 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.937 0 C-N-CA 128.449 2.7 . . . . 0.0 111.313 -175.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.55 134.04 50.54 Favored 'General case' 0 CA--C 1.57 1.714 0 C-N-CA 128.675 2.79 . . . . 0.0 117.674 168.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.489 ' SG ' HD13 ' A' ' 61' ' ' LEU . 87.1 m -135.77 134.63 39.19 Favored 'General case' 0 N--CA 1.516 2.874 0 N-CA-C 104.677 -2.342 . . . . 0.0 104.677 -157.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -150.28 -20.91 0.24 Allowed 'General case' 0 N--CA 1.52 3.065 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -158.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.5 p -149.62 -168.38 3.09 Favored 'General case' 0 CA--C 1.584 2.278 0 CA-C-O 124.715 2.197 . . . . 0.0 106.921 -159.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 5.6 p -52.08 -20.65 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.594 2.668 1 N-CA-C 121.815 4.006 . . . . 0.0 121.815 154.116 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.43 -47.08 69.96 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 172.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.463 0.6 OUTLIER -49.45 -45.45 46.64 Favored 'General case' 0 CA--C 1.595 2.686 0 N-CA-C 118.946 2.943 . . . . 0.0 118.946 159.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.439 ' HB2' ' O ' ' A' ' 12' ' ' VAL . 12.9 m95 -46.22 -49.48 17.07 Favored 'General case' 0 C--O 1.26 1.63 0 N-CA-C 116.773 2.138 . . . . 0.0 116.773 170.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -52.01 -64.36 0.84 Allowed 'General case' 0 N--CA 1.502 2.13 0 CA-C-N 114.347 -1.297 . . . . 0.0 113.776 159.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -49.84 -64.13 0.9 Allowed 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 128.375 2.67 . . . . 0.0 117.806 -177.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -50.43 -55.89 13.85 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 116.31 1.967 . . . . 0.0 116.31 173.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -58.77 -58.43 8.62 Favored 'General case' 0 CA--C 1.602 2.953 0 N-CA-C 119.441 3.126 . . . . 0.0 119.441 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -62.26 -61.46 2.44 Favored 'General case' 0 C--O 1.271 2.215 0 C-N-CA 127.306 2.242 . . . . 0.0 114.763 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.274 31.7 mmtp -48.38 -60.0 3.02 Favored 'General case' 1 N--CA 1.542 4.142 0 CA-C-N 122.541 2.428 . . . . 0.0 113.972 168.226 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -40.46 -81.83 0.02 OUTLIER Glycine 0 C--N 1.369 2.416 0 N-CA-C 121.258 3.263 . . . . 0.0 121.258 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -79.05 100.51 7.38 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 123.825 1.774 . . . . 0.0 112.826 154.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.29 -49.24 0.48 Allowed Glycine 0 N--CA 1.505 3.285 0 CA-C-N 110.248 -3.16 . . . . 0.0 114.487 159.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.4 m -92.85 132.02 37.37 Favored 'General case' 0 N--CA 1.512 2.645 0 N-CA-C 104.779 -2.304 . . . . 0.0 104.779 172.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -64.03 76.33 0.03 OUTLIER 'General case' 0 CA--C 1.576 1.948 1 CA-C-O 130.024 4.726 . . . . 0.0 113.774 172.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -154.22 156.5 37.21 Favored 'General case' 0 N--CA 1.534 3.754 0 O-C-N 117.977 -2.952 . . . . 0.0 114.551 -178.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.272 54.3 tp -83.28 147.68 27.82 Favored 'General case' 0 CA--C 1.601 2.914 0 CA-C-O 125.809 2.718 . . . . 0.0 110.746 164.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.599 HG22 ' HB ' ' A' ' 59' ' ' THR . 3.9 pt -146.91 133.29 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.747 0 O-C-N 117.879 -3.013 . . . . 0.0 104.998 -178.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.9 t -141.03 129.91 24.33 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.752 0 N-CA-C 103.589 -2.745 . . . . 0.0 103.589 -168.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.281 2.5 p -139.84 112.35 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.948 0 CA-C-O 126.604 3.097 . . . . 0.0 104.673 -160.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -70.53 130.48 41.96 Favored 'General case' 0 CA--C 1.614 3.44 0 O-C-N 118.591 -2.568 . . . . 0.0 114.051 153.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -114.47 111.96 22.24 Favored 'General case' 1 C--O 1.333 5.468 1 C-N-CA 135.342 5.457 . . . . 0.0 104.745 175.571 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -160.99 145.97 14.04 Favored 'General case' 0 N--CA 1.517 2.897 0 N-CA-C 101.547 -3.501 . . . . 0.0 101.547 -166.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.257 . . -80.03 158.92 26.38 Favored 'General case' 0 C--O 1.209 -1.063 1 CA-C-N 108.253 -4.067 . . . . 0.0 108.662 165.33 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.334 22.3 t -59.85 -43.01 94.88 Favored 'General case' 0 N--CA 1.518 2.93 0 O-C-N 117.513 -3.242 . . . . 0.0 116.28 166.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 24.8 p-90 -69.47 69.73 0.26 Allowed 'General case' 0 CA--C 1.567 1.623 0 N-CA-C 117.734 2.494 . . . . 0.0 117.734 162.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 54.0 t -156.63 82.46 3.35 Favored Pre-proline 0 CA--C 1.596 2.747 0 CA-C-N 112.88 -1.964 . . . . 0.0 110.664 -175.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -51.93 -41.2 64.83 Favored 'Trans proline' 0 CA--C 1.585 3.049 0 C-N-CA 125.007 3.805 . . . . 0.0 120.635 168.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -49.86 -44.56 36.16 Favored 'Trans proline' 0 CA--C 1.554 1.504 1 C-N-CA 126.128 4.552 . . . . 0.0 119.294 161.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.417 ' SG ' ' HG2' ' A' ' 81' ' ' PRO 0.328 56.5 m -77.24 -22.39 52.28 Favored 'General case' 0 C--O 1.189 -2.113 1 N-CA-C 122.031 4.086 . . . . 0.0 122.031 163.521 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.4 tttp -58.78 -43.31 90.41 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 123.492 2.86 . . . . 0.0 114.858 159.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.318 25.0 ptt? -61.95 -37.65 85.54 Favored 'General case' 0 C--N 1.387 2.225 1 N-CA-C 121.861 4.023 . . . . 0.0 121.861 153.084 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.406 1.0 OUTLIER -60.2 -31.75 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.325 0 N-CA-C 119.5 3.148 . . . . 0.0 119.5 169.145 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.41 ' HB3' ' HD3' ' A' ' 46' ' ' PRO 0.305 . . -49.15 -59.25 6.78 Favored Pre-proline 0 C--O 1.181 -2.515 0 O-C-N 125.774 1.922 . . . . 0.0 115.606 167.051 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HD3' ' HB3' ' A' ' 45' ' ' ALA . 52.3 Cg_exo -52.55 -40.01 73.54 Favored 'Trans proline' 0 N--CA 1.518 2.965 2 N-CA-C 124.163 4.64 . . . . 0.0 124.163 158.884 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.287 40.6 mm -52.04 -56.55 5.89 Favored 'Isoleucine or valine' 0 C--N 1.387 2.208 0 O-C-N 118.9 -2.375 . . . . 0.0 114.999 165.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -46.46 -44.2 17.27 Favored 'General case' 0 CA--C 1.572 1.811 0 C-N-CA 126.5 1.92 . . . . 0.0 115.879 168.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.65 -52.11 62.18 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 118.673 2.842 . . . . 0.0 118.673 165.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.349 36.5 tt0 -51.88 -60.31 3.33 Favored 'General case' 0 N--CA 1.526 3.329 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 168.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.43 HD22 ' HD2' ' A' ' 55' ' ' PHE . 1.4 tm? -49.2 -51.9 30.09 Favored 'General case' 0 CA--C 1.6 2.884 0 C-N-CA 126.215 1.806 . . . . 0.0 113.58 169.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.41 -48.65 37.01 Favored 'General case' 0 CA--C 1.566 1.559 0 CA-C-N 120.126 1.33 . . . . 0.0 113.361 172.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -53.66 -48.24 69.62 Favored 'General case' 0 CA--C 1.598 2.805 0 CA-C-O 116.148 -1.882 . . . . 0.0 113.664 169.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -56.47 -25.34 50.71 Favored 'General case' 0 N--CA 1.511 2.58 0 C-N-CA 129.174 2.99 . . . . 0.0 112.846 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.43 ' HD2' HD22 ' A' ' 51' ' ' LEU . 6.5 m-85 -136.7 100.38 10.06 Favored Pre-proline 1 CA--C 1.636 4.262 0 C-N-CA 129.521 3.128 . . . . 0.0 106.562 -161.086 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.286 26.1 Cg_endo -81.94 -27.97 2.27 Favored 'Trans proline' 0 CA--C 1.552 1.42 2 C-N-CA 131.32 8.013 . . . . 0.0 125.385 176.571 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.442 1.3 p-10 -61.89 3.64 0.15 Allowed 'General case' 1 N--CA 1.547 4.377 0 C-N-CA 127.527 2.331 . . . . 0.0 117.014 175.878 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.273 6.2 p -145.85 116.23 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 124.693 1.246 . . . . 0.0 109.497 -149.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.599 ' HB ' HG22 ' A' ' 29' ' ' ILE . 84.1 m -71.08 157.2 38.6 Favored 'General case' 0 CA--C 1.585 2.317 0 CA-C-O 125.807 2.717 . . . . 0.0 109.921 166.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -144.31 136.82 26.71 Favored 'General case' 0 N--CA 1.509 2.492 0 C-N-CA 127.958 2.503 . . . . 0.0 108.476 -176.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.489 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.259 0.9 OUTLIER -157.03 156.59 33.16 Favored 'General case' 0 CA--C 1.581 2.16 0 CA-C-N 111.706 -2.497 . . . . 0.0 109.726 -173.961 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.359 42.3 pttt -143.81 108.48 4.88 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 -160.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.56 125.24 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 128.143 2.577 . . . . 0.0 108.033 175.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -78.35 90.74 4.4 Favored 'General case' 0 C--O 1.257 1.45 0 CA-C-N 110.681 -2.963 . . . . 0.0 103.959 164.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -43.94 -42.17 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.6 2.902 0 N-CA-C 121.008 3.707 . . . . 0.0 121.008 168.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.68 -44.52 37.96 Favored 'General case' 1 CA--C 1.636 4.279 0 CA-C-O 122.547 1.165 . . . . 0.0 113.763 173.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.312 0.3 OUTLIER -62.15 -39.07 91.38 Favored 'General case' 0 CA--C 1.588 2.426 0 N-CA-C 118.204 2.668 . . . . 0.0 118.204 161.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.5 mt -143.03 56.83 1.4 Allowed 'General case' 1 CA--C 1.636 4.285 0 CA-C-O 125.91 2.767 . . . . 0.0 114.879 -159.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.37 33.1 pttt -68.94 -52.13 32.45 Favored 'General case' 0 C--O 1.189 -2.095 0 CA-C-N 110.044 -3.253 . . . . 0.0 116.244 172.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.277 . . -49.16 -66.72 0.35 Allowed 'General case' 0 N--CA 1.531 3.599 0 O-C-N 126.833 2.583 . . . . 0.0 117.754 175.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.45 HG22 ' NE1' ' A' ' 75' ' ' TRP . 9.9 p -60.54 -42.98 93.43 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.907 0 CA-C-O 112.553 -3.594 . . . . 0.0 118.846 163.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . 0.28 . . -40.17 -58.42 1.48 Allowed 'General case' 0 CA--C 1.577 2.001 0 CA-C-N 124.071 3.123 . . . . 0.0 114.447 162.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . 0.315 51.7 mt-10 -48.28 -52.64 20.43 Favored 'General case' 0 N--CA 1.529 3.479 0 O-C-N 127.347 2.904 . . . . 0.0 115.651 173.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.384 0.0 OUTLIER -45.47 -51.39 11.67 Favored 'General case' 0 CA--C 1.583 2.218 0 N-CA-C 120.519 3.526 . . . . 0.0 120.519 170.106 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.45 ' NE1' HG22 ' A' ' 71' ' ' VAL . 50.1 m95 -61.5 -45.75 92.89 Favored 'General case' 0 N--CA 1.531 3.588 1 O-C-N 114.481 -5.137 . . . . 0.0 112.334 168.649 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.404 10.5 t30 151.29 81.72 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.529 1 O-C-N 129.651 4.345 . . . . 0.0 104.529 148.397 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 t -143.47 74.47 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.536 3.863 0 O-C-N 118.46 -2.65 . . . . 0.0 110.299 -173.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.405 1.9 pp20? -68.47 -1.29 6.26 Favored 'General case' 0 N--CA 1.522 3.127 0 N-CA-C 120.924 3.676 . . . . 0.0 120.924 138.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.19 123.74 7.82 Favored 'General case' 0 C--N 1.41 3.209 0 O-C-N 116.307 -3.996 . . . . 0.0 113.959 -164.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.43 ' SD ' ' N ' ' A' ' 80' ' ' MET 0.368 0.0 OUTLIER -65.81 114.97 18.46 Favored Pre-proline 0 N--CA 1.528 3.434 0 CA-C-N 111.26 -2.7 . . . . 0.0 106.52 159.981 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.417 ' HG2' ' SG ' ' A' ' 41' ' ' CYS . 80.8 Cg_endo -159.0 147.13 0.0 OUTLIER 'Cis proline' 1 C--N 1.425 4.594 0 CA-C-O 129.522 3.884 . . . . 0.0 117.917 -1.229 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.2 m -120.92 128.45 52.78 Favored 'General case' 0 CA--C 1.587 2.386 1 CA-C-N 106.859 -4.7 . . . . 0.0 107.982 -144.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -120.88 117.11 26.52 Favored 'General case' 0 C--O 1.286 3.011 2 O-C-N 134.18 7.175 . . . . 0.0 105.572 -177.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.3 mt -129.71 141.44 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.356 0 CA-C-O 126.704 3.145 . . . . 0.0 104.997 -163.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -131.67 112.83 12.9 Favored 'General case' 0 C--O 1.262 1.713 1 CA-C-N 107.134 -4.575 . . . . 0.0 103.045 -154.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.3 125.98 15.11 Favored 'General case' 0 C--N 1.414 3.405 0 CA-C-N 110.089 -3.232 . . . . 0.0 103.088 -166.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -130.42 178.15 6.82 Favored 'General case' 0 CA--C 1.592 2.573 0 CA-C-N 110.189 -3.187 . . . . 0.0 106.878 -169.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.361 4.1 p-10 -60.53 56.3 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.794 0 O-C-N 126.762 2.538 . . . . 0.0 115.536 164.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 170.11 45.06 0.03 OUTLIER Glycine 0 CA--C 1.577 3.951 0 CA-C-O 123.111 1.395 . . . . 0.0 116.494 169.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.465 ' HG3' ' H ' ' A' ' 91' ' ' LEU 0.471 0.1 OUTLIER 68.86 -167.79 0.18 Allowed 'General case' 0 N--CA 1.53 3.532 0 C-N-CA 127.932 2.493 . . . . 0.0 114.131 -173.372 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.465 ' H ' ' HG3' ' A' ' 90' ' ' LYS 0.328 12.2 tp -51.43 107.24 0.17 Allowed 'General case' 0 N--CA 1.5 2.033 0 C-N-CA 128.682 2.793 . . . . 0.0 112.055 171.427 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.251 27.4 m -84.88 -38.64 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.954 0 C-N-CA 128.306 2.642 . . . . 0.0 115.023 167.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.96 163.92 16.06 Favored 'General case' 0 N--CA 1.505 2.317 0 CA-C-N 123.525 2.875 . . . . 0.0 115.269 -174.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -155.94 131.64 9.72 Favored 'General case' 0 N--CA 1.421 -1.907 0 C-N-CA 127.288 2.235 . . . . 0.0 110.525 -176.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . 0.303 33.4 m -140.79 149.86 42.6 Favored 'General case' 0 N--CA 1.418 -2.048 1 N-CA-C 99.538 -4.245 . . . . 0.0 99.538 -170.569 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 p -150.21 97.76 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.263 1.772 0 CA-C-N 112.907 -1.951 . . . . 0.0 106.063 -176.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -171.22 -168.1 32.42 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 105.628 -2.989 . . . . 0.0 105.628 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -161.97 105.7 1.2 Allowed 'General case' 0 N--CA 1.528 3.427 0 N-CA-C 104.718 -2.327 . . . . 0.0 104.718 -174.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -151.49 125.61 9.26 Favored 'General case' 0 CA--C 1.576 1.966 0 CA-C-N 113.646 -1.616 . . . . 0.0 108.03 -171.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.478 51.8 pttt -49.16 -60.36 2.86 Favored 'General case' 0 N--CA 1.491 1.592 1 N-CA-C 124.301 4.926 . . . . 0.0 124.301 167.664 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.89 -39.68 61.36 Favored 'General case' 0 N--CA 1.526 3.34 0 C-N-CA 127.351 2.261 . . . . 0.0 115.318 167.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -44.7 -60.08 3.98 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 121.341 3.296 . . . . 0.0 121.341 173.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.6 tp -53.72 -60.36 7.38 Favored Pre-proline 0 CA--C 1.593 2.632 0 CA-C-O 115.521 -2.181 . . . . 0.0 115.299 172.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -43.14 -37.08 6.4 Favored 'Trans proline' 1 CA--C 1.642 5.916 0 C-N-CA 124.818 3.678 . . . . 0.0 121.431 159.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 92.5 m -64.86 -58.86 5.05 Favored 'General case' 0 N--CA 1.506 2.365 0 CA-C-O 114.605 -2.617 . . . . 0.0 110.035 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.2 tp -49.41 -50.08 42.08 Favored 'General case' 0 CA--C 1.585 2.289 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 169.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.297 93.2 t -63.27 -40.3 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.01 0 C-N-CA 125.739 1.615 . . . . 0.0 111.841 177.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.24 77.94 Favored 'General case' 0 C--N 1.387 2.199 0 O-C-N 118.469 -2.644 . . . . 0.0 113.702 165.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -59.88 -41.31 91.29 Favored 'General case' 0 CA--C 1.609 3.223 0 N-CA-C 117.357 2.355 . . . . 0.0 117.357 167.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -62.38 -62.72 1.56 Allowed 'General case' 0 N--CA 1.507 2.421 0 N-CA-C 117.528 2.418 . . . . 0.0 117.528 164.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.1 -47.45 68.57 Favored 'General case' 0 N--CA 1.531 3.581 0 C-N-CA 128.476 2.711 . . . . 0.0 116.678 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.298 1.8 m -59.96 -63.8 1.17 Allowed 'General case' 0 C--N 1.351 0.631 0 N-CA-C 116.053 1.872 . . . . 0.0 116.053 156.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.563 1.472 0 C-N-CA 125.721 1.608 . . . . 0.0 115.221 -168.471 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.86 0 N-CA-C 105.26 -2.126 . . . . 0.0 105.26 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -127.4 80.8 1.98 Allowed 'General case' 0 CA--C 1.602 2.971 0 C-N-CA 128.818 2.847 . . . . 0.0 108.296 -175.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.25 16.3 pt-20 -150.09 156.07 41.0 Favored 'General case' 0 C--O 1.267 1.99 0 O-C-N 125.468 1.73 . . . . 0.0 111.019 -167.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.17 172.21 50.16 Favored Glycine 0 CA--C 1.569 3.412 0 O-C-N 120.534 -1.354 . . . . 0.0 115.096 162.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -160.43 135.14 7.58 Favored 'General case' 0 CA--C 1.569 1.698 0 CA-C-N 119.66 1.73 . . . . 0.0 107.853 -169.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.0 t -90.96 121.88 41.79 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.123 0 N-CA-C 102.364 -3.199 . . . . 0.0 102.364 176.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.296 0.3 OUTLIER -115.61 125.1 72.68 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.732 0 N-CA-C 102.171 -3.27 . . . . 0.0 102.171 -176.879 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.77 136.67 57.61 Favored 'General case' 0 N--CA 1.516 2.862 0 CA-C-N 109.989 -3.278 . . . . 0.0 115.007 165.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.5 m -144.06 142.04 30.42 Favored 'General case' 0 CA--C 1.597 2.777 0 C-N-CA 128.146 2.578 . . . . 0.0 112.488 -171.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -151.87 -16.27 0.19 Allowed 'General case' 0 CA--C 1.598 2.821 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 -169.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.72 -171.28 3.77 Favored 'General case' 0 N--CA 1.532 3.635 0 O-C-N 118.981 -2.324 . . . . 0.0 111.468 -160.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.33 9.8 p -53.26 -33.47 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.658 0 CA-C-N 114.03 -1.441 . . . . 0.0 112.992 164.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -44.17 -56.59 3.97 Favored 'General case' 0 CA--C 1.575 1.915 0 O-C-N 118.64 -2.537 . . . . 0.0 114.907 170.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.05 -39.88 9.86 Favored 'General case' 2 N--CA 1.559 5.01 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 162.021 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -52.71 -43.71 65.85 Favored 'General case' 0 N--CA 1.533 3.689 0 CA-C-O 118.031 -0.985 . . . . 0.0 113.567 168.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -62.11 -53.45 55.19 Favored 'General case' 0 CA--C 1.583 2.224 0 N-CA-C 117.722 2.489 . . . . 0.0 117.722 162.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.311 38.0 mt-10 -51.62 -62.66 1.49 Allowed 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 128.082 2.553 . . . . 0.0 115.67 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -52.42 -61.65 2.14 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 117.295 2.332 . . . . 0.0 117.295 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -52.61 -61.96 1.95 Allowed 'General case' 0 CA--C 1.61 3.282 0 N-CA-C 117.463 2.394 . . . . 0.0 117.463 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.325 3.7 mm-40 -62.98 -46.58 87.0 Favored 'General case' 0 CA--C 1.579 2.092 0 N-CA-C 116.388 1.995 . . . . 0.0 116.388 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.288 5.5 mmtp -50.31 -66.57 0.37 Allowed 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 115.036 -2.411 . . . . 0.0 115.063 168.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.93 -94.84 0.01 OUTLIER Glycine 0 CA--C 1.555 2.558 0 N-CA-C 119.237 2.455 . . . . 0.0 119.237 165.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.387 2.3 ttmm -62.36 88.7 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 O-C-N 119.561 -2.141 . . . . 0.0 114.04 158.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.77 -49.77 0.34 Allowed Glycine 0 CA--C 1.554 2.525 0 CA-C-O 126.456 3.253 . . . . 0.0 111.369 163.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.6 m -92.75 123.31 35.94 Favored 'General case' 0 CA--C 1.566 1.582 0 C-N-CA 128.996 2.919 . . . . 0.0 105.742 -176.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -60.54 82.23 0.01 OUTLIER 'General case' 0 N--CA 1.531 3.617 0 CA-C-O 125.259 2.457 . . . . 0.0 108.249 170.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -169.96 163.36 9.46 Favored 'General case' 0 CA--C 1.583 2.23 0 CA-C-N 112.36 -2.2 . . . . 0.0 111.078 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.7 tp -84.4 155.0 22.49 Favored 'General case' 0 CA--C 1.6 2.892 0 C-N-CA 128.81 2.844 . . . . 0.0 107.433 166.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.436 HG22 ' HB ' ' A' ' 59' ' ' THR . 1.3 pt -146.61 139.57 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.363 1 N-CA-C 98.639 -4.578 . . . . 0.0 98.639 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.3 t -146.2 125.08 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 CA-C-N 112.672 -2.058 . . . . 0.0 108.308 -169.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.61 113.32 3.69 Favored 'Isoleucine or valine' 0 C--N 1.365 1.242 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.489 -154.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -70.12 149.17 47.87 Favored 'General case' 0 CA--C 1.556 1.181 1 CA-C-O 128.95 4.214 . . . . 0.0 116.004 160.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -137.06 107.89 6.64 Favored 'General case' 0 CA--C 1.584 2.288 1 N-CA-C 97.519 -4.993 . . . . 0.0 97.519 -175.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 t -156.03 146.72 21.95 Favored 'General case' 0 CA--C 1.594 2.659 0 N-CA-C 103.547 -2.76 . . . . 0.0 103.547 -169.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.84 130.37 34.9 Favored 'General case' 0 C--O 1.277 2.546 0 CA-C-N 110.195 -3.184 . . . . 0.0 108.196 169.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 t -43.55 -46.65 7.13 Favored 'General case' 1 CA--C 1.64 4.44 0 O-C-N 128.152 3.407 . . . . 0.0 117.64 172.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.9 p-90 -61.39 75.43 0.01 OUTLIER 'General case' 0 N--CA 1.534 3.76 0 O-C-N 120.534 -1.354 . . . . 0.0 113.67 161.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 42.1 t -163.95 84.44 1.28 Allowed Pre-proline 0 N--CA 1.514 2.754 0 O-C-N 120.578 -1.326 . . . . 0.0 109.469 -176.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.38 27.2 Cg_exo -50.07 -46.53 27.81 Favored 'Trans proline' 0 CA--C 1.59 3.287 0 C-N-CA 124.785 3.657 . . . . 0.0 118.388 169.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -46.28 -53.0 6.44 Favored 'Trans proline' 0 N--CA 1.496 1.628 1 C-N-CA 126.706 4.937 . . . . 0.0 116.687 167.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 51.8 m -66.21 -22.48 66.34 Favored 'General case' 0 C--O 1.282 2.802 0 N-CA-C 117.88 2.548 . . . . 0.0 117.88 165.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.339 42.8 tttp -60.57 -40.21 90.87 Favored 'General case' 0 N--CA 1.529 3.511 0 CA-C-O 125.203 2.43 . . . . 0.0 111.489 166.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.488 13.5 ptt? -66.74 -53.6 31.64 Favored 'General case' 0 CA--C 1.614 3.441 1 O-C-N 115.871 -4.268 . . . . 0.0 116.94 159.98 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.362 1.0 OUTLIER -47.98 -33.26 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.764 0 N-CA-C 120.094 3.368 . . . . 0.0 120.094 172.406 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.33 -49.87 91.17 Favored Pre-proline 0 CA--C 1.587 2.397 0 CA-C-O 113.986 -2.911 . . . . 0.0 118.166 167.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -50.26 -42.9 45.82 Favored 'Trans proline' 0 CA--C 1.601 3.859 0 N-CA-C 121.543 3.632 . . . . 0.0 121.543 155.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.372 35.7 mm -56.1 -49.91 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.29 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 171.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.34 65.9 t80 -54.35 -41.75 69.46 Favored 'General case' 0 CA--C 1.614 3.422 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 165.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.02 -47.89 75.86 Favored 'General case' 0 N--CA 1.515 2.807 0 N-CA-C 118.777 2.88 . . . . 0.0 118.777 168.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.31 -54.16 48.72 Favored 'General case' 0 N--CA 1.53 3.531 0 N-CA-C 116.34 1.978 . . . . 0.0 116.34 161.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.301 1.7 tm? -46.43 -47.79 18.94 Favored 'General case' 1 CA--C 1.63 4.057 0 N-CA-C 118.091 2.626 . . . . 0.0 118.091 163.277 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.28 -49.78 32.4 Favored 'General case' 0 N--CA 1.508 2.46 0 CA-C-N 119.89 1.223 . . . . 0.0 114.229 167.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -56.35 -46.31 80.05 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 172.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -54.43 -36.12 63.69 Favored 'General case' 0 N--CA 1.517 2.915 0 C-N-CA 127.125 2.17 . . . . 0.0 114.862 171.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -134.69 101.36 11.84 Favored Pre-proline 0 N--CA 1.499 2.006 0 O-C-N 126.179 2.175 . . . . 0.0 110.09 -156.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -82.43 -20.85 5.63 Favored 'Trans proline' 0 CA--C 1.6 3.777 1 C-N-CA 126.263 4.642 . . . . 0.0 117.846 172.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -57.49 0.03 0.06 Allowed 'General case' 1 C--O 1.316 4.567 1 O-C-N 115.601 -4.437 . . . . 0.0 118.721 173.674 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 p -149.51 119.92 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.95 0 O-C-N 127.537 3.023 . . . . 0.0 110.742 -154.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.436 ' HB ' HG22 ' A' ' 29' ' ' ILE . 42.7 m -75.37 158.3 32.96 Favored 'General case' 0 N--CA 1.501 2.075 0 C-N-CA 128.347 2.659 . . . . 0.0 109.807 167.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -149.15 136.97 20.5 Favored 'General case' 0 C--N 1.389 2.305 0 CA-C-O 125.647 2.642 . . . . 0.0 106.933 -169.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.282 0.6 OUTLIER -153.38 154.98 35.54 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 109.655 -3.429 . . . . 0.0 111.857 -175.836 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -144.91 116.58 8.16 Favored 'General case' 0 CA--C 1.598 2.826 0 CA-C-O 127.364 3.459 . . . . 0.0 105.724 -171.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.3 t -82.46 125.19 39.86 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.833 0 CA-C-N 110.666 -2.97 . . . . 0.0 111.603 170.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.41 104.0 0.46 Allowed 'General case' 0 CA--C 1.59 2.496 0 O-C-N 125.609 1.818 . . . . 0.0 112.6 152.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.08 -47.56 66.05 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.096 0 N-CA-C 118.279 2.696 . . . . 0.0 118.279 173.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.275 23.8 m-20 -38.88 -53.38 1.72 Allowed 'General case' 1 N--CA 1.569 5.52 0 O-C-N 119.252 -2.155 . . . . 0.0 112.104 171.812 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.8 -32.61 74.24 Favored 'General case' 0 CA--C 1.607 3.164 0 C-N-CA 129.935 3.294 . . . . 0.0 112.759 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.8 mt -148.69 57.21 1.04 Allowed 'General case' 0 N--CA 1.496 1.83 2 O-C-N 115.723 -4.361 . . . . 0.0 109.802 -169.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -72.53 -45.22 60.34 Favored 'General case' 0 C--O 1.265 1.869 0 C-N-CA 130.749 3.619 . . . . 0.0 118.14 174.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.02 -52.13 66.5 Favored 'General case' 1 N--CA 1.544 4.269 0 C-N-CA 127.065 2.146 . . . . 0.0 114.019 172.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.271 7.1 p -61.12 -50.08 82.0 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.444 0 N-CA-C 121.217 3.784 . . . . 0.0 121.217 170.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.02 -51.4 24.21 Favored 'General case' 0 CA--C 1.586 2.328 0 CA-C-O 124.601 2.143 . . . . 0.0 116.135 167.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -55.22 -50.73 68.67 Favored 'General case' 0 C--N 1.389 2.297 0 CA-C-O 114.17 -2.824 . . . . 0.0 110.313 167.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.617 3.0 pt-20 -41.67 -55.52 2.93 Favored 'General case' 0 N--CA 1.532 3.628 0 N-CA-C 121.776 3.991 . . . . 0.0 121.776 167.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -57.1 -47.85 80.07 Favored 'General case' 0 N--CA 1.522 3.135 0 N-CA-C 117.648 2.462 . . . . 0.0 117.648 166.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.298 13.1 t30 149.69 83.98 0.0 OUTLIER 'General case' 0 N--CA 1.428 -1.534 0 CA-C-O 127.089 3.328 . . . . 0.0 104.751 148.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.4 t -147.59 91.76 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.597 2.763 0 O-C-N 116.549 -3.844 . . . . 0.0 105.247 -168.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.12 13.6 28.66 Favored 'General case' 0 C--O 1.27 2.156 0 O-C-N 118.814 -2.429 . . . . 0.0 114.493 157.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -153.64 134.64 13.93 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-O 127.282 3.42 . . . . 0.0 111.821 -168.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.39 117.4 68.04 Favored Pre-proline 0 N--CA 1.514 2.733 1 CA-C-N 108.15 -4.114 . . . . 0.0 106.739 160.798 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.544 55.2 Cg_endo -148.77 154.71 0.0 OUTLIER 'Cis proline' 0 N--CA 1.532 3.79 1 C-N-CA 115.934 -4.611 . . . . 0.0 116.036 -8.749 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.4 m -125.27 116.07 21.36 Favored 'General case' 0 CA--C 1.548 0.867 1 CA-C-N 106.992 -4.64 . . . . 0.0 109.425 -147.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -88.02 130.96 34.82 Favored 'General case' 0 C--N 1.29 -2.004 0 CA-C-N 110.376 -3.102 . . . . 0.0 114.614 160.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 mt -125.79 139.71 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.399 0 N-CA-C 100.328 -3.953 . . . . 0.0 100.328 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -135.79 118.68 16.25 Favored 'General case' 0 CA--C 1.589 2.455 0 CA-C-N 111.108 -2.769 . . . . 0.0 107.199 -164.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.25 1.1 tm? -148.26 127.38 12.88 Favored 'General case' 0 C--N 1.392 2.454 1 N-CA-C 99.166 -4.383 . . . . 0.0 99.166 -164.899 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.294 24.2 tttt -109.16 172.86 6.6 Favored 'General case' 1 N--CA 1.555 4.806 0 C-N-CA 129.839 3.256 . . . . 0.0 112.432 173.777 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -52.68 16.54 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.305 1 N-CA-C 124.691 5.071 . . . . 0.0 124.691 156.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -149.77 43.99 0.73 Allowed Glycine 0 CA--C 1.542 1.769 0 C-N-CA 128.732 3.063 . . . . 0.0 112.378 -177.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.27 -171.75 0.17 Allowed 'General case' 0 CA--C 1.608 3.211 0 C-N-CA 130.497 3.519 . . . . 0.0 111.946 -177.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 tp -56.42 105.78 0.23 Allowed 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 127.834 2.454 . . . . 0.0 116.095 170.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.288 20.7 m -71.57 -55.61 13.11 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.969 0 CA-C-N 111.37 -2.65 . . . . 0.0 112.453 171.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.62 164.48 38.12 Favored 'General case' 0 C--N 1.419 3.628 0 CA-C-O 123.258 1.504 . . . . 0.0 112.225 -164.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.3 130.18 11.72 Favored 'General case' 0 CA--C 1.594 2.668 0 C-N-CA 127.281 2.232 . . . . 0.0 109.609 -175.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 37.9 m -159.91 151.62 20.12 Favored 'General case' 0 CA--C 1.598 2.811 0 C-N-CA 126.449 1.899 . . . . 0.0 107.119 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.273 1.3 p -140.73 95.44 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 N-CA-C 102.74 -3.059 . . . . 0.0 102.74 -159.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -175.23 -175.7 42.89 Favored Glycine 0 N--CA 1.508 3.464 0 CA-C-O 125.849 2.916 . . . . 0.0 109.399 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.63 120.93 12.3 Favored 'General case' 0 CA--C 1.591 2.533 0 CA-C-N 110.534 -2.833 . . . . 0.0 111.0 -176.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -173.34 130.41 0.46 Allowed 'General case' 0 CA--C 1.569 1.678 0 C-N-CA 125.367 1.467 . . . . 0.0 112.108 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.295 56.7 pttt -42.82 -56.94 2.99 Favored 'General case' 1 CA--C 1.635 4.228 0 O-C-N 126.328 2.267 . . . . 0.0 114.922 173.244 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -79.62 -40.92 28.14 Favored 'General case' 0 CA--C 1.595 2.687 1 C-N-CA 134.698 5.199 . . . . 0.0 117.667 175.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -45.71 -59.52 4.83 Favored Glycine 1 CA--C 1.594 5.024 0 O-C-N 128.505 3.628 . . . . 0.0 114.153 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.26 22.1 tp -54.21 -47.42 97.41 Favored Pre-proline 0 N--CA 1.526 3.358 0 CA-C-O 113.209 -3.281 . . . . 0.0 117.392 171.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -50.09 -39.73 50.87 Favored 'Trans proline' 0 CA--C 1.579 2.754 0 N-CA-C 122.389 3.957 . . . . 0.0 122.389 159.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.357 35.5 m -64.32 -61.53 2.18 Favored 'General case' 0 CA--C 1.569 1.687 0 C-N-CA 130.32 3.448 . . . . 0.0 111.952 175.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 20.5 tp -49.91 -48.59 51.58 Favored 'General case' 0 CA--C 1.59 2.512 0 N-CA-C 120.886 3.661 . . . . 0.0 120.886 169.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.267 97.9 t -64.99 -50.16 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.592 0 C-N-CA 127.899 2.48 . . . . 0.0 113.591 169.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.66 -63.79 0.61 Allowed 'General case' 0 N--CA 1.508 2.431 0 CA-C-N 123.002 2.637 . . . . 0.0 115.851 166.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -42.17 -49.6 4.87 Favored 'General case' 0 N--CA 1.535 3.78 0 N-CA-C 118.746 2.869 . . . . 0.0 118.746 169.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -63.91 -68.29 0.36 Allowed 'General case' 0 C--N 1.399 2.747 0 C-N-CA 126.362 1.865 . . . . 0.0 111.025 170.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -39.6 -29.6 0.06 Allowed 'General case' 0 C--O 1.198 -1.609 1 N-CA-C 125.254 5.279 . . . . 0.0 125.254 176.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.402 9.8 m -71.87 -84.44 0.03 OUTLIER 'General case' 0 N--CA 1.533 3.707 0 C-N-CA 127.689 2.396 . . . . 0.0 110.613 172.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.181 0 O-C-N 117.206 -3.433 . . . . 0.0 114.937 171.385 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.512 2.631 0 CA-C-O 127.059 3.314 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -159.14 108.61 1.92 Allowed 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 102.597 -3.112 . . . . 0.0 102.597 -175.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -163.77 162.25 23.77 Favored 'General case' 0 C--O 1.186 -2.281 0 CA-C-O 126.596 3.093 . . . . 0.0 108.894 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.3 155.71 53.14 Favored Glycine 0 N--CA 1.488 2.102 0 CA-C-N 108.433 -3.985 . . . . 0.0 110.769 167.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -151.23 134.53 16.09 Favored 'General case' 0 CA--C 1.582 2.188 0 CA-C-N 112.089 -2.055 . . . . 0.0 106.826 -170.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 t -108.12 115.06 48.17 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.435 0 C-N-CA 128.879 2.872 . . . . 0.0 103.975 175.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.329 0.2 OUTLIER -117.89 119.23 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 C-N-CA 131.47 3.908 . . . . 0.0 106.388 -173.577 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.16 130.2 37.51 Favored 'General case' 0 CA--C 1.556 1.188 0 N-CA-C 118.317 2.71 . . . . 0.0 118.317 166.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.2 m -144.36 139.34 28.41 Favored 'General case' 0 N--CA 1.514 2.748 0 O-C-N 119.457 -2.027 . . . . 0.0 112.566 -162.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -148.11 -22.65 0.35 Allowed 'General case' 0 CA--C 1.605 3.067 0 CA-C-N 113.854 -1.521 . . . . 0.0 112.637 -159.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.5 p -150.46 174.02 13.39 Favored 'General case' 0 N--CA 1.521 3.079 0 O-C-N 117.953 -2.967 . . . . 0.0 106.941 -152.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.352 10.4 p -49.34 -19.11 0.5 Allowed 'Isoleucine or valine' 1 CA--C 1.638 4.331 0 N-CA-C 117.686 2.476 . . . . 0.0 117.686 167.621 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -57.34 -44.26 84.12 Favored 'General case' 0 C--N 1.368 1.376 0 CA-C-O 114.396 -2.716 . . . . 0.0 111.866 166.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.402 0.6 OUTLIER -53.24 -41.56 65.57 Favored 'General case' 0 CA--C 1.611 3.297 0 CA-C-N 123.326 2.785 . . . . 0.0 117.497 161.551 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -54.39 -36.52 64.02 Favored 'General case' 0 CA--C 1.581 2.162 0 O-C-N 126.891 2.619 . . . . 0.0 115.818 166.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.251 48.9 mtmt -56.63 -62.47 1.71 Allowed 'General case' 0 C--O 1.269 2.123 0 CA-C-N 120.164 1.347 . . . . 0.0 113.716 162.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -48.2 -61.8 1.8 Allowed 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 119.259 3.059 . . . . 0.0 119.259 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -55.26 -59.86 4.19 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 125.761 1.624 . . . . 0.0 113.547 175.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.317 56.4 t80 -56.69 -55.04 39.11 Favored 'General case' 0 CA--C 1.582 2.207 0 CA-C-O 114.115 -2.85 . . . . 0.0 117.402 175.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.315 3.9 mm-40 -48.93 -57.65 6.12 Favored 'General case' 0 N--CA 1.513 2.682 0 N-CA-C 118.501 2.778 . . . . 0.0 118.501 167.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -56.09 -58.94 5.8 Favored 'General case' 0 CA--C 1.577 2.006 0 CA-C-N 121.892 2.133 . . . . 0.0 113.695 172.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.49 -82.19 0.04 OUTLIER Glycine 0 C--O 1.196 -2.241 0 C-N-CA 126.256 1.884 . . . . 0.0 115.883 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -90.17 89.05 7.49 Favored 'General case' 0 CA--C 1.605 3.074 0 C-N-CA 131.048 3.739 . . . . 0.0 109.166 165.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.41 -30.51 0.18 Allowed Glycine 1 CA--C 1.612 6.142 0 CA-C-N 111.559 -2.564 . . . . 0.0 111.023 166.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.33 70.0 m -120.62 131.49 54.64 Favored 'General case' 0 CA--C 1.589 2.452 0 C-N-CA 129.66 3.184 . . . . 0.0 107.596 -173.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.49 77.01 0.02 OUTLIER 'General case' 0 CA--C 1.597 2.763 0 CA-C-O 123.387 1.565 . . . . 0.0 111.915 166.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -160.65 161.96 32.56 Favored 'General case' 0 CA--C 1.607 3.138 0 CA-C-N 112.873 -1.967 . . . . 0.0 108.976 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.263 23.6 tp -87.81 149.11 24.36 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 110.766 -2.925 . . . . 0.0 115.212 162.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.331 0.6 OUTLIER -142.71 120.54 7.21 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.639 0 C-N-CA 131.243 3.817 . . . . 0.0 108.372 -177.235 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.1 t -128.02 120.36 53.5 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.153 0 CA-C-O 126.859 3.218 . . . . 0.0 105.636 -169.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.9 p -143.2 109.98 1.61 Allowed 'Isoleucine or valine' 1 CA--C 1.658 5.104 0 CA-C-N 111.214 -2.721 . . . . 0.0 109.133 -156.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -71.65 144.52 49.37 Favored 'General case' 0 CA--C 1.593 2.62 0 CA-C-N 112.217 -2.265 . . . . 0.0 114.827 168.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -137.14 100.29 4.23 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 102.404 -3.184 . . . . 0.0 102.404 -175.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.4 t -145.0 148.35 33.66 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 100.887 -3.746 . . . . 0.0 100.887 -165.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.338 . . -76.52 123.28 25.82 Favored 'General case' 0 CA--C 1.625 3.86 0 CA-C-N 112.121 -2.309 . . . . 0.0 108.714 153.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 t -34.87 -52.63 0.54 Allowed 'General case' 0 C--O 1.278 2.595 0 N-CA-C 119.311 3.078 . . . . 0.0 119.311 173.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.7 p-90 -56.43 88.53 0.01 OUTLIER 'General case' 1 N--CA 1.542 4.126 0 C-N-CA 129.035 2.934 . . . . 0.0 115.197 160.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.4 t -165.5 105.49 0.75 Allowed Pre-proline 0 N--CA 1.514 2.729 0 CA-C-O 116.039 -1.934 . . . . 0.0 106.32 -177.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.268 23.2 Cg_exo -57.36 -41.07 76.65 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 125.207 3.938 . . . . 0.0 117.815 161.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.407 33.8 Cg_exo -49.9 -54.65 5.11 Favored 'Trans proline' 0 C--N 1.412 3.882 1 C-N-CA 127.056 5.171 . . . . 0.0 116.312 164.922 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.354 59.1 m -68.22 -16.52 64.01 Favored 'General case' 0 CA--C 1.563 1.473 0 N-CA-C 117.31 2.337 . . . . 0.0 117.31 165.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.394 33.6 tttp -58.57 -60.22 4.15 Favored 'General case' 0 N--CA 1.529 3.508 0 CA-C-N 122.493 2.406 . . . . 0.0 114.078 158.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.315 12.2 ptt? -47.73 -52.71 17.49 Favored 'General case' 0 C--N 1.406 3.047 1 O-C-N 115.909 -4.244 . . . . 0.0 119.02 163.431 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.417 0.8 OUTLIER -48.1 -31.61 3.08 Favored 'Isoleucine or valine' 1 N--CA 1.555 4.806 0 N-CA-C 117.313 2.338 . . . . 0.0 117.313 164.717 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.396 . . -53.3 -67.34 0.6 Allowed Pre-proline 0 CA--C 1.615 3.466 0 CA-C-N 122.934 2.606 . . . . 0.0 114.042 173.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -50.88 -42.48 51.57 Favored 'Trans proline' 1 CA--C 1.634 5.509 0 CA-C-O 113.423 -2.824 . . . . 0.0 118.644 160.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.405 28.3 mm -51.51 -53.15 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 CA-C-N 122.089 2.222 . . . . 0.0 114.332 171.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -33.86 68.98 Favored 'General case' 0 N--CA 1.524 3.235 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 170.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.306 . . -76.31 -36.15 58.45 Favored 'General case' 0 N--CA 1.418 -2.033 1 N-CA-C 123.094 4.479 . . . . 0.0 123.094 169.023 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.79 -63.02 1.44 Allowed 'General case' 0 CA--C 1.578 2.044 0 C-N-CA 126.444 1.898 . . . . 0.0 110.179 162.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.6 -48.43 14.56 Favored 'General case' 0 CA--C 1.596 2.725 0 C-N-CA 128.199 2.6 . . . . 0.0 111.497 172.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.08 -46.98 72.18 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 119.163 3.023 . . . . 0.0 119.163 168.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -56.85 -35.02 68.38 Favored 'General case' 0 N--CA 1.515 2.777 0 O-C-N 125.919 2.012 . . . . 0.0 115.778 167.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.271 29.9 ttmt -63.1 -29.95 71.21 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 119.878 3.288 . . . . 0.0 119.878 171.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -131.17 96.8 21.09 Favored Pre-proline 0 CA--C 1.574 1.871 0 C-N-CA 129.537 3.135 . . . . 0.0 114.877 -158.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.353 12.8 Cg_endo -67.67 -39.23 12.27 Favored 'Trans proline' 0 CA--C 1.599 3.761 2 C-N-CA 130.494 7.463 . . . . 0.0 126.03 174.231 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.415 10.6 p30 -62.66 -6.01 3.19 Favored 'General case' 0 CA--C 1.609 3.235 0 C-N-CA 129.352 3.061 . . . . 0.0 118.104 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.254 2.5 p -144.49 112.15 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.617 3.536 0 N-CA-C 101.998 -3.334 . . . . 0.0 101.998 -153.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.5 m -72.59 148.92 44.43 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 113.014 -1.903 . . . . 0.0 115.065 158.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -140.26 137.58 34.35 Favored 'General case' 0 CA--C 1.6 2.867 0 CA-C-O 127.709 3.623 . . . . 0.0 108.731 -171.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.341 0.7 OUTLIER -154.8 156.7 36.73 Favored 'General case' 0 CA--C 1.565 1.555 0 CA-C-N 110.94 -2.845 . . . . 0.0 110.583 -174.161 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -147.47 105.7 3.76 Favored 'General case' 0 CA--C 1.607 3.139 0 CA-C-O 128.393 3.949 . . . . 0.0 105.887 -161.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.2 t -91.69 119.05 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.561 0 CA-C-N 111.138 -2.756 . . . . 0.0 108.432 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -62.12 103.73 0.4 Allowed 'General case' 0 CA--C 1.557 1.212 0 CA-C-O 126.855 3.217 . . . . 0.0 113.087 152.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 p -52.62 -42.31 40.18 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.283 0 N-CA-C 119.579 3.177 . . . . 0.0 119.579 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.346 8.6 m-20 -39.91 -49.87 2.45 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 117.411 2.375 . . . . 0.0 117.411 174.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -73.88 -14.78 61.13 Favored 'General case' 0 CA--C 1.591 2.528 0 N-CA-C 119.384 3.105 . . . . 0.0 119.384 167.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.7 mt -154.64 50.39 0.61 Allowed 'General case' 0 CA--C 1.581 2.165 0 CA-C-O 125.46 2.552 . . . . 0.0 116.57 -166.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.348 56.9 pttt -73.55 -39.05 65.01 Favored 'General case' 0 C--N 1.296 -1.732 1 C-N-CA 131.886 4.074 . . . . 0.0 114.927 174.483 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.48 -54.43 45.89 Favored 'General case' 0 CA--C 1.568 1.654 0 O-C-N 120.654 -1.279 . . . . 0.0 112.809 174.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.298 11.1 p -58.32 -53.42 46.46 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.238 0 C-N-CA 127.271 2.228 . . . . 0.0 115.895 169.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.47 -54.27 7.68 Favored 'General case' 0 C--N 1.403 2.928 0 N-CA-C 120.428 3.492 . . . . 0.0 120.428 168.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -58.05 -47.92 81.66 Favored 'General case' 0 CA--C 1.597 2.762 1 CA-C-O 111.422 -4.132 . . . . 0.0 108.001 173.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.63 0.9 OUTLIER -46.11 -53.93 9.47 Favored 'General case' 0 C--N 1.42 3.636 0 N-CA-C 118.392 2.738 . . . . 0.0 118.392 171.012 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.322 11.1 m95 -56.33 -46.99 79.66 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 119.723 3.231 . . . . 0.0 119.723 170.002 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 143.06 93.81 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.92 0 C-N-CA 128.131 2.572 . . . . 0.0 106.031 150.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.6 t -144.56 76.26 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.46 0 CA-C-N 110.937 -2.847 . . . . 0.0 114.53 -173.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -63.47 -29.64 70.89 Favored 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 116.76 2.133 . . . . 0.0 116.76 152.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -133.19 134.01 43.52 Favored 'General case' 0 N--CA 1.533 3.68 0 C-N-CA 130.523 3.529 . . . . 0.0 108.137 -153.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.441 ' HA ' ' HA ' ' A' ' 81' ' ' PRO 0.302 0.1 OUTLIER -80.04 129.68 69.27 Favored Pre-proline 0 C--N 1.398 2.682 0 C-N-CA 127.91 2.484 . . . . 0.0 107.825 163.344 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 80' ' ' MET 0.252 62.1 Cg_endo -143.6 141.65 0.0 OUTLIER 'Cis proline' 0 N--CA 1.519 3.02 1 CA-C-O 134.067 5.778 . . . . 0.0 116.958 -12.512 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 96' ' ' VAL . 6.3 m -118.31 122.32 42.61 Favored 'General case' 0 C--N 1.271 -2.814 1 CA-C-N 104.032 -5.985 . . . . 0.0 112.275 -148.718 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -95.37 137.85 33.86 Favored 'General case' 0 CA--C 1.592 2.578 1 C-N-CA 134.192 4.997 . . . . 0.0 107.331 173.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 mp -131.7 128.1 59.88 Favored 'Isoleucine or valine' 0 C--O 1.302 3.854 1 CA-C-O 129.142 4.306 . . . . 0.0 106.849 -174.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -102.77 114.54 28.87 Favored 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 130.159 3.383 . . . . 0.0 105.33 -176.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.259 0.2 OUTLIER -139.08 124.95 19.75 Favored 'General case' 0 CA--C 1.609 3.214 1 N-CA-C 99.855 -4.128 . . . . 0.0 99.855 -168.561 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -125.45 171.66 10.3 Favored 'General case' 0 C--N 1.272 -2.78 0 C-N-CA 128.317 2.647 . . . . 0.0 109.016 -169.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -57.47 52.62 0.0 OUTLIER 'General case' 0 CA--C 1.602 2.944 0 O-C-N 116.86 -3.65 . . . . 0.0 116.493 145.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -177.06 41.51 0.1 OUTLIER Glycine 0 CA--C 1.57 3.497 0 CA-C-N 114.374 -1.285 . . . . 0.0 111.371 174.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.295 26.1 mtmt 56.74 -167.71 0.11 Allowed 'General case' 0 C--O 1.266 1.97 0 C-N-CA 128.718 2.807 . . . . 0.0 111.951 -175.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.6 tp -58.06 100.35 0.06 Allowed 'General case' 0 CA--C 1.58 2.11 0 CA-C-O 125.094 2.378 . . . . 0.0 111.641 171.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.8 m -76.71 -33.72 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.567 0 N-CA-C 120.291 3.441 . . . . 0.0 120.291 167.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.94 165.96 15.68 Favored 'General case' 0 C--N 1.409 3.19 0 CA-C-N 125.909 3.959 . . . . 0.0 113.054 -172.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -160.81 129.88 4.77 Favored 'General case' 0 C--N 1.381 1.959 0 CA-C-O 122.819 1.295 . . . . 0.0 112.36 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.5 m -149.59 140.45 22.78 Favored 'General case' 0 CA--C 1.591 2.557 0 CA-C-O 124.798 2.237 . . . . 0.0 107.631 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.454 ' HA ' ' HA ' ' A' ' 82' ' ' THR 0.262 0.2 OUTLIER -138.05 106.27 3.7 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.081 1 CA-C-N 107.204 -4.544 . . . . 0.0 104.421 -163.69 . . . . . . . . 5 4 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 174.57 -148.88 10.08 Favored Glycine 0 N--CA 1.503 3.101 0 N-CA-C 105.08 -3.208 . . . . 0.0 105.08 169.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -166.57 101.83 0.59 Allowed 'General case' 0 CA--C 1.616 3.513 0 CA-C-N 110.943 -2.629 . . . . 0.0 108.956 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -146.87 118.82 8.16 Favored 'General case' 0 CA--C 1.573 1.854 0 N-CA-C 101.517 -3.512 . . . . 0.0 101.517 -174.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -46.21 -39.51 9.89 Favored 'General case' 0 N--CA 1.517 2.896 0 N-CA-C 118.463 2.764 . . . . 0.0 118.463 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.271 2.6 p30 -83.09 -46.65 12.54 Favored 'General case' 0 N--CA 1.52 3.047 0 C-N-CA 129.676 3.19 . . . . 0.0 115.024 171.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -44.1 -50.14 7.74 Favored Glycine 1 CA--C 1.579 4.068 0 N-CA-C 120.84 3.096 . . . . 0.0 120.84 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.4 tp -72.23 -60.54 2.19 Favored Pre-proline 0 CA--C 1.58 2.132 0 C-N-CA 130.146 3.378 . . . . 0.0 108.622 -176.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -44.18 -42.31 13.1 Favored 'Trans proline' 0 CA--C 1.562 1.887 0 CA-C-N 125.398 2.963 . . . . 0.0 118.983 166.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 21.3 m -60.24 -61.74 2.38 Favored 'General case' 0 CA--C 1.614 3.427 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 170.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 56.7 tp -42.13 -59.23 1.84 Allowed 'General case' 1 N--CA 1.544 4.275 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 170.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.1 t -55.33 -47.68 77.68 Favored 'Isoleucine or valine' 0 C--O 1.262 1.722 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 173.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.68 -47.02 20.44 Favored 'General case' 0 CA--C 1.569 1.689 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 168.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . 0.259 67.3 mttt -58.09 -45.27 87.46 Favored 'General case' 1 CA--C 1.631 4.087 0 O-C-N 119.563 -1.961 . . . . 0.0 115.004 172.448 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -70.02 -54.75 11.8 Favored 'General case' 0 N--CA 1.514 2.768 0 N-CA-C 120.022 3.342 . . . . 0.0 120.022 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.81 -52.16 66.89 Favored 'General case' 0 N--CA 1.498 1.929 1 N-CA-C 122.626 4.306 . . . . 0.0 122.626 168.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.29 3.4 m -65.73 -29.53 70.07 Favored 'General case' 0 CA--C 1.625 3.853 0 C-N-CA 125.268 1.427 . . . . 0.0 114.627 173.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 126.396 2.998 . . . . 0.0 116.007 157.005 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.583 2.215 0 CA-C-O 121.788 0.804 . . . . 0.0 108.868 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -151.5 111.46 4.07 Favored 'General case' 0 CA--C 1.579 2.084 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 -164.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -159.17 164.95 34.72 Favored 'General case' 0 CA--C 1.595 2.694 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -171.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.8 -179.71 5.98 Favored Glycine 1 CA--C 1.449 -4.088 0 CA-C-O 119.102 -0.832 . . . . 0.0 113.243 158.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -161.48 138.0 8.32 Favored 'General case' 0 CA--C 1.591 2.528 0 N-CA-C 104.059 -2.571 . . . . 0.0 104.059 -176.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.1 t -97.98 117.36 42.67 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.565 0 C-N-CA 131.68 3.992 . . . . 0.0 109.156 174.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -136.15 112.23 12.49 Favored 'Isoleucine or valine' 1 CA--C 1.637 4.315 0 C-N-CA 126.104 1.762 . . . . 0.0 107.358 -164.679 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.02 144.28 34.86 Favored 'General case' 0 N--CA 1.405 -2.715 0 CA-C-N 112.557 -2.111 . . . . 0.0 116.38 169.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.0 m -145.07 134.85 23.54 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 111.41 -2.632 . . . . 0.0 111.849 -166.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -150.13 -11.98 0.26 Allowed 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 113.402 -3.19 . . . . 0.0 115.833 -162.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.2 p -158.05 -172.74 4.03 Favored 'General case' 0 CA--C 1.59 2.492 0 CA-C-N 122.86 2.573 . . . . 0.0 106.556 -162.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.7 p -59.15 -15.91 8.22 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.582 0 O-C-N 117.833 -3.042 . . . . 0.0 118.398 165.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -50.97 -44.95 60.71 Favored 'General case' 0 CA--C 1.59 2.514 1 N-CA-C 122.018 4.081 . . . . 0.0 122.018 155.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.412 3.6 t -56.81 -33.83 67.1 Favored 'General case' 0 CA--C 1.613 3.401 0 N-CA-C 119.943 3.312 . . . . 0.0 119.943 158.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 28.5 m95 -54.03 -42.32 69.01 Favored 'General case' 0 CA--C 1.608 3.194 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 161.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -52.59 -56.02 18.27 Favored 'General case' 0 N--CA 1.523 3.191 0 C-N-CA 127.028 2.131 . . . . 0.0 112.347 162.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -57.57 -70.34 0.13 Allowed 'General case' 0 CA--C 1.574 1.889 1 N-CA-C 122.887 4.403 . . . . 0.0 122.887 170.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -51.86 -58.22 7.08 Favored 'General case' 0 N--CA 1.5 2.056 0 CA-C-O 125.417 2.532 . . . . 0.0 116.26 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -56.04 -57.42 12.2 Favored 'General case' 0 N--CA 1.482 1.132 1 N-CA-C 124.981 5.178 . . . . 0.0 124.981 171.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.347 1.7 mm-40 -63.55 -50.81 68.03 Favored 'General case' 0 CA--C 1.588 2.425 0 C-N-CA 129.757 3.223 . . . . 0.0 117.478 176.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.304 33.9 mmtp -51.6 -65.94 0.47 Allowed 'General case' 0 CA--C 1.592 2.592 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 155.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.0 -92.56 0.01 OUTLIER Glycine 0 N--CA 1.512 3.751 0 N-CA-C 117.479 1.751 . . . . 0.0 117.479 175.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -65.73 96.5 0.28 Allowed 'General case' 0 CA--C 1.61 3.287 0 CA-C-N 123.013 3.407 . . . . 0.0 108.069 156.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.96 -63.72 0.3 Allowed Glycine 0 CA--C 1.575 3.811 0 CA-C-N 110.506 -3.043 . . . . 0.0 112.371 162.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.5 m -85.51 124.13 31.73 Favored 'General case' 0 C--N 1.287 -2.148 1 CA-C-N 106.105 -5.047 . . . . 0.0 105.082 -176.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -67.86 78.09 0.21 Allowed 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 112.343 -2.208 . . . . 0.0 116.664 173.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -151.44 177.62 10.11 Favored 'General case' 0 C--N 1.382 1.982 0 C-N-CA 129.704 3.202 . . . . 0.0 108.322 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.0 tp -108.17 153.51 23.07 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 129.74 3.216 . . . . 0.0 106.316 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.365 2.8 pt -146.5 135.55 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.843 0 C-N-CA 129.346 3.058 . . . . 0.0 104.037 -176.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.5 t -140.69 129.57 25.3 Favored 'Isoleucine or valine' 0 C--O 1.266 1.957 1 N-CA-C 100.163 -4.014 . . . . 0.0 100.163 -168.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.383 7.1 p -144.35 115.59 2.3 Favored 'Isoleucine or valine' 1 N--CA 1.567 5.4 0 O-C-N 118.622 -2.549 . . . . 0.0 109.155 -154.857 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -76.79 141.81 40.59 Favored 'General case' 0 CA--C 1.581 2.143 0 CA-C-N 112.677 -2.056 . . . . 0.0 111.069 163.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -137.4 105.59 5.72 Favored 'General case' 0 CA--C 1.578 2.042 1 C-N-CA 132.306 4.242 . . . . 0.0 100.806 175.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.9 t -149.31 153.22 37.16 Favored 'General case' 0 C--N 1.283 -2.314 1 O-C-N 130.106 4.629 . . . . 0.0 103.416 -168.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.293 . . -77.81 139.08 39.28 Favored 'General case' 0 C--O 1.29 3.2 0 C-N-CA 127.714 2.405 . . . . 0.0 110.398 159.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.9 t -51.42 -38.85 55.68 Favored 'General case' 0 N--CA 1.525 3.281 0 CA-C-O 128.375 3.94 . . . . 0.0 118.851 169.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -72.85 84.25 1.22 Allowed 'General case' 0 C--N 1.279 -2.473 0 CA-C-N 110.28 -3.146 . . . . 0.0 115.978 170.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 41.9 t -166.04 92.62 0.82 Allowed Pre-proline 1 N--CA 1.543 4.206 0 CA-C-O 116.18 -1.867 . . . . 0.0 108.89 -173.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.34 33.1 Cg_exo -47.28 -45.32 22.46 Favored 'Trans proline' 0 N--CA 1.523 3.259 0 N-CA-C 118.065 2.294 . . . . 0.0 118.065 164.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -46.42 -56.99 2.5 Favored 'Trans proline' 0 CA--C 1.573 2.461 0 N-CA-C 118.255 2.367 . . . . 0.0 118.255 162.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.473 ' HA ' HG22 ' A' ' 44' ' ' ILE 0.428 4.8 m -64.02 -23.97 67.54 Favored 'General case' 0 CA--C 1.574 1.869 0 N-CA-C 119.675 3.213 . . . . 0.0 119.675 170.309 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -57.57 -42.08 82.34 Favored 'General case' 0 N--CA 1.524 3.23 0 N-CA-C 117.471 2.397 . . . . 0.0 117.471 162.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.445 17.0 ptt? -63.83 -52.08 61.8 Favored 'General case' 0 CA--C 1.617 3.531 0 N-CA-C 119.355 3.094 . . . . 0.0 119.355 156.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 41' ' ' CYS 0.521 1.1 tp -43.66 -40.38 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.385 2.117 1 N-CA-C 121.812 4.005 . . . . 0.0 121.812 169.434 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.67 -62.88 3.81 Favored Pre-proline 0 C--O 1.265 1.889 1 CA-C-O 109.665 -4.969 . . . . 0.0 109.807 170.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -46.27 -39.95 21.63 Favored 'Trans proline' 0 CA--C 1.572 2.383 2 C-N-CA 127.772 5.648 . . . . 0.0 116.31 167.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.329 50.4 mm -55.37 -60.3 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 CA-C-N 122.518 2.417 . . . . 0.0 114.589 168.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -53.79 -36.27 62.25 Favored 'General case' 0 CA--C 1.623 3.766 0 C-N-CA 128.387 2.675 . . . . 0.0 110.762 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.68 -57.73 9.99 Favored 'General case' 0 C--N 1.368 1.384 0 N-CA-C 118.878 2.918 . . . . 0.0 118.878 162.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.66 -48.35 63.43 Favored 'General case' 0 C--O 1.261 1.688 0 O-C-N 117.909 -2.994 . . . . 0.0 117.347 168.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.92 -35.64 58.65 Favored 'General case' 0 CA--C 1.57 1.721 0 N-CA-C 117.362 2.356 . . . . 0.0 117.362 163.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . 0.272 . . -63.51 -47.82 80.12 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 126.859 2.063 . . . . 0.0 116.427 166.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -51.96 -34.49 42.37 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 117.762 2.504 . . . . 0.0 117.762 162.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.428 31.7 ttmt -64.97 -36.21 83.67 Favored 'General case' 0 C--N 1.392 2.437 0 N-CA-C 119.259 3.059 . . . . 0.0 119.259 169.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -130.99 89.8 41.42 Favored Pre-proline 0 CA--C 1.626 3.881 0 C-N-CA 130.095 3.358 . . . . 0.0 110.946 -154.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.385 63.0 Cg_endo -62.44 -34.66 75.63 Favored 'Trans proline' 1 CA--C 1.613 4.458 2 C-N-CA 130.91 7.74 . . . . 0.0 122.867 167.706 . . . . . . . . 4 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.403 0.5 OUTLIER -61.56 -11.7 12.32 Favored 'General case' 0 C--O 1.268 2.03 0 N-CA-C 121.37 3.841 . . . . 0.0 121.37 176.878 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.278 6.5 p -139.74 107.24 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 -145.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.8 m -65.57 157.61 29.31 Favored 'General case' 0 CA--C 1.584 2.28 0 N-CA-C 114.598 1.332 . . . . 0.0 114.598 161.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -149.58 126.96 11.46 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 108.855 -3.793 . . . . 0.0 106.679 -169.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.445 0.4 OUTLIER -143.01 147.58 35.35 Favored 'General case' 0 CA--C 1.609 3.223 0 CA-C-N 111.466 -2.606 . . . . 0.0 107.803 -168.349 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.455 33.3 pttt -139.07 108.53 6.15 Favored 'General case' 0 CA--C 1.622 3.746 0 N-CA-C 103.471 -2.789 . . . . 0.0 103.471 -170.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.5 t -89.63 127.38 42.3 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.35 0 CA-C-N 110.202 -3.181 . . . . 0.0 107.396 172.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -75.61 115.08 14.91 Favored 'General case' 0 C--N 1.39 2.343 0 CA-C-N 110.87 -2.877 . . . . 0.0 107.911 157.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.273 0.4 OUTLIER -53.93 -44.07 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 118.085 2.624 . . . . 0.0 118.085 163.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -50.96 -41.06 59.0 Favored 'General case' 1 N--CA 1.543 4.194 0 O-C-N 126.962 2.664 . . . . 0.0 115.557 171.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -47.59 80.47 Favored 'General case' 0 N--CA 1.514 2.746 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 155.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.4 mt -144.16 63.52 1.33 Allowed 'General case' 0 CA--C 1.605 3.094 1 CA-C-O 131.211 5.291 . . . . 0.0 111.984 -162.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.297 54.1 pttt -66.33 -47.51 73.26 Favored 'General case' 0 CA--C 1.573 1.854 0 CA-C-N 109.346 -3.57 . . . . 0.0 118.914 169.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.18 -60.05 3.92 Favored 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 118.565 2.802 . . . . 0.0 118.565 172.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.391 8.7 p -57.58 -50.25 77.87 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.741 0 CA-C-O 116.877 -1.535 . . . . 0.0 114.318 169.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.5 -48.15 38.24 Favored 'General case' 0 N--CA 1.506 2.332 0 CA-C-N 125.346 3.703 . . . . 0.0 118.403 172.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -52.05 -51.05 60.07 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-N 112.703 -2.044 . . . . 0.0 112.251 169.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.513 0.0 OUTLIER -48.19 -55.6 10.0 Favored 'General case' 0 N--CA 1.519 3.02 0 N-CA-C 119.057 2.984 . . . . 0.0 119.057 173.449 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -55.31 -50.36 69.78 Favored 'General case' 0 N--CA 1.514 2.735 0 O-C-N 126.8 2.562 . . . . 0.0 110.181 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.465 11.3 t30 150.86 88.42 0.0 OUTLIER 'General case' 0 C--O 1.263 1.808 0 C-N-CA 127.287 2.235 . . . . 0.0 107.318 154.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.3 t -147.9 83.72 0.11 Allowed 'Isoleucine or valine' 1 CA--C 1.648 4.75 1 N-CA-C 99.646 -4.205 . . . . 0.0 99.646 -166.332 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -81.67 7.44 12.36 Favored 'General case' 0 N--CA 1.424 -1.755 0 N-CA-C 119.808 3.262 . . . . 0.0 119.808 152.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -162.96 131.96 4.08 Favored 'General case' 1 CA--C 1.677 5.854 0 O-C-N 117.109 -3.494 . . . . 0.0 114.962 -171.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -75.06 112.87 20.05 Favored Pre-proline 0 CA--C 1.614 3.415 0 CA-C-O 112.591 -3.576 . . . . 0.0 112.682 165.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.378 96.1 Cg_endo -150.55 144.47 0.0 OUTLIER 'Cis proline' 0 C--N 1.396 3.03 0 N-CA-C 121.938 3.784 . . . . 0.0 121.938 -4.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.9 m -115.94 135.97 53.48 Favored 'General case' 0 N--CA 1.53 3.533 1 CA-C-N 107.62 -4.355 . . . . 0.0 107.198 -147.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -120.75 117.07 26.5 Favored 'General case' 0 N--CA 1.489 1.476 1 CA-C-N 106.424 -4.898 . . . . 0.0 101.733 -169.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.304 14.5 mt -126.75 135.54 63.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 2 CA-C-O 129.762 4.601 . . . . 0.0 106.11 -165.683 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -122.69 108.66 13.32 Favored 'General case' 0 CA--C 1.574 1.875 0 CA-C-N 109.736 -3.393 . . . . 0.0 105.87 -163.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.87 132.37 34.47 Favored 'General case' 0 N--CA 1.422 -1.826 0 CA-C-O 128.382 3.944 . . . . 0.0 104.78 -170.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -134.29 174.29 10.68 Favored 'General case' 0 CA--C 1.577 1.993 0 CA-C-N 111.142 -2.754 . . . . 0.0 111.319 -168.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.339 4.1 p-10 -57.97 44.94 0.0 OUTLIER 'General case' 0 CA--C 1.58 2.109 0 N-CA-C 120.556 3.539 . . . . 0.0 120.556 151.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.69 51.16 0.11 Allowed Glycine 1 CA--C 1.593 4.962 0 C-N-CA 126.389 1.947 . . . . 0.0 110.129 175.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.272 18.9 mtmt 49.87 -157.11 0.09 Allowed 'General case' 0 C--N 1.426 3.921 0 C-N-CA 129.537 3.135 . . . . 0.0 113.543 -176.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.3 tp -60.65 105.49 0.45 Allowed 'General case' 0 CA--C 1.613 3.399 0 O-C-N 118.121 -2.862 . . . . 0.0 108.674 172.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.383 35.3 m -76.31 -43.38 36.72 Favored 'Isoleucine or valine' 0 C--O 1.275 2.443 0 CA-C-O 113.726 -3.035 . . . . 0.0 117.155 165.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -170.82 169.69 6.78 Favored 'General case' 0 C--O 1.271 2.195 0 CA-C-N 122.228 2.285 . . . . 0.0 112.515 -176.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -158.75 139.89 13.06 Favored 'General case' 0 CA--C 1.617 3.528 0 CA-C-O 125.375 2.512 . . . . 0.0 108.559 -176.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.4 m -154.39 152.78 30.6 Favored 'General case' 0 CA--C 1.576 1.973 1 CA-C-N 107.498 -4.41 . . . . 0.0 105.618 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.65 102.8 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.468 0 O-C-N 126.256 2.223 . . . . 0.0 110.906 -165.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -168.3 -141.26 3.14 Favored Glycine 0 C--O 1.288 3.502 0 C-N-CA 117.196 -2.43 . . . . 0.0 111.818 -174.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 177.45 114.55 0.03 OUTLIER 'General case' 0 N--CA 1.524 3.273 0 N-CA-C 100.322 -3.955 . . . . 0.0 100.322 169.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . 0.267 5.8 t0 -161.18 130.55 4.73 Favored 'General case' 0 N--CA 1.522 3.155 0 N-CA-C 102.74 -3.059 . . . . 0.0 102.74 -177.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.278 56.7 pttt -59.05 -53.58 56.75 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-N 109.099 -3.682 . . . . 0.0 116.831 172.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.319 3.2 p30 -71.39 -46.64 59.81 Favored 'General case' 0 N--CA 1.406 -2.647 0 O-C-N 118.937 -2.352 . . . . 0.0 113.024 168.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -42.21 -53.77 4.76 Favored Glycine 1 CA--C 1.594 4.97 1 N-CA-C 125.691 5.036 . . . . 0.0 125.691 179.973 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.06 -51.54 54.8 Favored Pre-proline 0 CA--C 1.585 2.304 0 CA-C-O 113.976 -2.916 . . . . 0.0 116.127 171.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -48.16 -38.26 32.51 Favored 'Trans proline' 0 CA--C 1.552 1.382 0 CA-C-N 127.33 3.654 . . . . 0.0 120.404 157.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.341 26.2 m -64.48 -54.35 33.9 Favored 'General case' 0 CA--C 1.592 2.588 0 O-C-N 119.082 -2.261 . . . . 0.0 113.955 175.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.0 tp -55.89 -38.07 69.69 Favored 'General case' 1 N--CA 1.542 4.173 0 N-CA-C 121.227 3.788 . . . . 0.0 121.227 167.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.47 -50.06 77.86 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.664 0 C-N-CA 129.696 3.198 . . . . 0.0 116.154 168.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.68 -55.87 19.51 Favored 'General case' 0 C--N 1.277 -2.585 0 C-N-CA 126.087 1.755 . . . . 0.0 111.046 171.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -47.25 -46.17 24.31 Favored 'General case' 0 CA--C 1.621 3.71 0 O-C-N 119.384 -2.073 . . . . 0.0 115.486 168.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.44 46.6 m-70 -64.38 -52.25 59.2 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 119.659 3.207 . . . . 0.0 119.659 173.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.76 -20.65 5.89 Favored 'General case' 0 CA--C 1.592 2.589 0 CA-C-O 112.956 -3.402 . . . . 0.0 117.185 164.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.413 86.6 m -78.43 -92.49 0.04 OUTLIER 'General case' 0 CA--C 1.601 2.936 0 O-C-N 128.84 3.838 . . . . 0.0 110.708 165.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . 0.36 . . . . . . . 0 C--O 1.283 2.854 0 N-CA-C 120.003 3.335 . . . . 0.0 120.003 168.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.329 0 N-CA-C 118.633 2.827 . . . . 0.0 118.633 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -162.4 77.15 0.48 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-O 122.96 1.362 . . . . 0.0 108.458 -176.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -142.24 163.56 32.54 Favored 'General case' 0 N--CA 1.517 2.915 0 CA-C-N 111.212 -2.722 . . . . 0.0 114.507 -168.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.36 157.51 53.46 Favored Glycine 0 C--N 1.374 2.655 0 CA-C-O 126.437 3.243 . . . . 0.0 113.494 157.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -149.45 133.77 17.4 Favored 'General case' 0 CA--C 1.592 2.587 0 CA-C-N 112.267 -1.967 . . . . 0.0 108.026 -170.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.7 t -95.16 128.19 46.54 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-O 126.956 3.265 . . . . 0.0 105.424 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.29 0.5 OUTLIER -126.93 120.61 56.14 Favored 'Isoleucine or valine' 0 CA--C 1.609 3.239 0 C-N-CA 129.632 3.173 . . . . 0.0 104.065 -173.197 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.407 ' O ' ' SG ' ' A' ' 9' ' ' CYS . . . -59.22 147.19 36.44 Favored 'General case' 0 N--CA 1.506 2.357 0 CA-C-O 124.439 2.066 . . . . 0.0 111.905 165.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 8' ' ' ALA . 78.6 m -150.36 135.66 17.94 Favored 'General case' 0 CA--C 1.594 2.639 0 C-N-CA 125.199 1.4 . . . . 0.0 113.026 -172.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -151.16 -14.45 0.21 Allowed 'General case' 0 C--N 1.387 2.227 0 O-C-N 126.624 2.453 . . . . 0.0 112.503 -164.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.2 p -146.5 -177.29 5.55 Favored 'General case' 0 CA--C 1.6 2.887 0 CA-C-N 123.131 2.696 . . . . 0.0 110.47 -155.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -55.6 -17.84 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.259 0 O-C-N 126.975 2.672 . . . . 0.0 117.656 154.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.97 -41.69 62.33 Favored 'General case' 0 CA--C 1.614 3.415 0 N-CA-C 116.252 1.945 . . . . 0.0 116.252 167.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.416 ' HG1' HD13 ' A' ' 61' ' ' LEU 0.289 0.7 OUTLIER -62.64 -38.62 90.98 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 164.959 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -52.21 -49.96 62.9 Favored 'General case' 0 CA--C 1.569 1.681 0 O-C-N 118.635 -2.541 . . . . 0.0 114.628 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -58.46 -47.65 83.31 Favored 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 165.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.283 38.5 mt-10 -58.42 -65.08 0.71 Allowed 'General case' 0 CA--C 1.619 3.618 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 174.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -47.6 -64.74 0.71 Allowed 'General case' 0 CA--C 1.591 2.525 0 N-CA-C 117.895 2.554 . . . . 0.0 117.895 175.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.252 1.1 t80 -54.52 -59.36 4.8 Favored 'General case' 0 CA--C 1.62 3.67 0 N-CA-C 120.677 3.584 . . . . 0.0 120.677 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.18 -42.24 90.35 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -63.32 -63.08 1.29 Allowed 'General case' 0 CA--C 1.578 2.021 0 CA-C-N 122.219 2.281 . . . . 0.0 111.832 170.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.0 -75.75 0.2 Allowed Glycine 0 CA--C 1.569 3.411 0 O-C-N 120.897 -1.127 . . . . 0.0 115.475 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -79.73 91.31 5.28 Favored 'General case' 0 CA--C 1.62 3.657 0 CA-C-O 125.616 2.626 . . . . 0.0 106.511 161.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.4 -29.29 0.51 Allowed Glycine 0 C--O 1.293 3.817 0 N-CA-C 120.016 2.767 . . . . 0.0 120.016 162.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.1 m -119.29 138.26 53.13 Favored 'General case' 0 C--O 1.27 2.171 0 CA-C-N 110.87 -2.665 . . . . 0.0 106.188 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.341 0.2 OUTLIER -64.23 74.85 0.04 OUTLIER 'General case' 0 CA--C 1.592 2.594 0 CA-C-N 112.283 -2.235 . . . . 0.0 115.3 169.454 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.298 15.5 ptpt -158.54 154.03 26.0 Favored 'General case' 0 C--O 1.277 2.532 0 C-N-CA 126.553 1.941 . . . . 0.0 110.062 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 tp -86.17 153.52 21.99 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 124.628 2.156 . . . . 0.0 106.51 160.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.1 pt -149.5 137.53 14.31 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.723 0 N-CA-C 102.345 -3.206 . . . . 0.0 102.345 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.2 t -138.59 131.72 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 CA-C-N 110.473 -3.058 . . . . 0.0 105.737 -162.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.9 p -150.86 113.69 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.458 0 CA-C-O 123.345 1.545 . . . . 0.0 112.559 -158.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -77.15 133.14 39.05 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 129.542 3.137 . . . . 0.0 112.504 171.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -113.87 110.3 19.9 Favored 'General case' 0 C--O 1.276 2.472 0 CA-C-N 109.25 -3.614 . . . . 0.0 103.888 170.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -153.8 136.06 14.89 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 100.681 -3.822 . . . . 0.0 100.681 -171.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.25 153.8 39.26 Favored 'General case' 0 N--CA 1.388 -3.526 0 CA-C-N 109.8 -3.364 . . . . 0.0 116.979 150.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.1 t -55.34 -44.08 75.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 125.939 2.024 . . . . 0.0 115.42 162.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.403 40.5 p-90 -62.44 58.98 0.01 OUTLIER 'General case' 0 N--CA 1.525 3.309 1 CA-C-O 128.888 4.185 . . . . 0.0 115.994 165.536 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.4 t -153.95 81.02 4.8 Favored Pre-proline 0 N--CA 1.488 1.439 0 O-C-N 117.407 -3.308 . . . . 0.0 109.444 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.322 16.8 Cg_exo -47.35 -36.02 22.19 Favored 'Trans proline' 1 CA--C 1.619 4.746 0 N-CA-C 121.564 3.64 . . . . 0.0 121.564 160.932 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.78 -37.38 84.57 Favored 'Trans proline' 0 CA--C 1.584 3.003 0 C-N-CA 124.973 3.782 . . . . 0.0 120.422 158.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.616 ' HA ' HG22 ' A' ' 44' ' ' ILE 0.463 72.9 m -75.53 -28.29 59.03 Favored 'General case' 0 CA--C 1.593 2.602 0 N-CA-C 119.926 3.306 . . . . 0.0 119.926 162.075 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.32 37.2 tttp -60.07 -39.17 85.11 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 166.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.447 9.7 ptt? -60.5 -47.93 83.99 Favored 'General case' 1 N--CA 1.544 4.247 0 N-CA-C 119.325 3.083 . . . . 0.0 119.325 153.619 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.616 HG22 ' HA ' ' A' ' 41' ' ' CYS 0.603 1.1 tp -54.42 -42.9 60.89 Favored 'Isoleucine or valine' 0 C--O 1.283 2.856 1 N-CA-C 122.535 4.272 . . . . 0.0 122.535 178.512 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.85 -53.52 64.04 Favored Pre-proline 0 C--N 1.381 1.959 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 167.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -46.46 -41.86 23.12 Favored 'Trans proline' 0 CA--C 1.567 2.137 0 N-CA-C 121.206 3.502 . . . . 0.0 121.206 161.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mm -58.22 -60.46 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.647 0 O-C-N 117.729 -3.107 . . . . 0.0 113.766 164.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -44.99 -33.57 2.08 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 168.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.94 -51.9 42.3 Favored 'General case' 0 CA--C 1.587 2.384 0 O-C-N 118.505 -2.622 . . . . 0.0 115.137 166.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.01 -50.48 68.92 Favored 'General case' 0 N--CA 1.518 2.961 0 CA-C-O 115.9 -2.0 . . . . 0.0 115.804 171.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.0 -44.25 74.35 Favored 'General case' 1 CA--C 1.635 4.245 0 C-N-CA 126.201 1.8 . . . . 0.0 115.848 163.318 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.35 -43.76 75.33 Favored 'General case' 0 CA--C 1.617 3.524 0 O-C-N 119.119 -2.238 . . . . 0.0 116.328 171.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -58.06 -35.75 71.8 Favored 'General case' 0 CA--C 1.628 3.961 0 O-C-N 128.435 3.584 . . . . 0.0 117.003 166.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -63.24 -40.82 98.51 Favored 'General case' 0 CA--C 1.582 2.184 0 O-C-N 119.586 -1.946 . . . . 0.0 114.654 173.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -131.82 81.05 64.18 Favored Pre-proline 0 CA--C 1.609 3.247 0 O-C-N 126.629 2.455 . . . . 0.0 105.791 -147.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -56.67 -38.1 96.33 Favored 'Trans proline' 0 C--N 1.386 2.539 1 C-N-CA 125.521 4.147 . . . . 0.0 122.272 177.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.295 6.0 p-10 -57.27 1.1 0.04 OUTLIER 'General case' 0 CA--C 1.606 3.114 0 N-CA-C 118.821 2.897 . . . . 0.0 118.821 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.485 3.2 p -140.19 110.16 3.71 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.687 0 C-N-CA 126.711 2.004 . . . . 0.0 115.501 -152.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . 0.286 90.8 m -64.97 143.31 58.04 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 118.199 -2.813 . . . . 0.0 113.661 161.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -138.64 129.48 26.53 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 126.653 3.12 . . . . 0.0 106.211 -169.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.416 HD13 ' HG1' ' A' ' 14' ' ' THR 0.277 0.6 OUTLIER -152.19 156.1 39.11 Favored 'General case' 0 C--N 1.36 1.056 0 O-C-N 118.684 -2.51 . . . . 0.0 108.524 -171.24 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -148.98 113.85 5.41 Favored 'General case' 0 N--CA 1.526 3.375 0 O-C-N 118.916 -2.365 . . . . 0.0 106.202 -164.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . 0.326 44.4 t -92.47 109.97 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.619 3.611 0 O-C-N 127.447 2.967 . . . . 0.0 108.964 -174.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -70.27 99.45 1.54 Allowed 'General case' 0 CA--C 1.583 2.216 0 N-CA-C 103.426 -2.805 . . . . 0.0 103.426 163.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.327 0.3 OUTLIER -53.86 -30.12 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.931 1 N-CA-C 123.007 4.447 . . . . 0.0 123.007 176.248 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.51 -44.33 62.54 Favored 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 117.211 2.3 . . . . 0.0 117.211 171.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.345 10.0 mm-40 -59.16 -42.26 90.32 Favored 'General case' 0 CA--C 1.625 3.842 0 N-CA-C 120.199 3.407 . . . . 0.0 120.199 162.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.5 mt -139.91 52.19 1.7 Allowed 'General case' 1 CA--C 1.641 4.48 0 CA-C-O 125.067 2.365 . . . . 0.0 109.691 -153.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -76.2 -41.58 49.03 Favored 'General case' 0 C--O 1.252 1.211 0 CA-C-O 113.886 -2.959 . . . . 0.0 118.624 172.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.92 -57.0 11.77 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 128.622 3.701 . . . . 0.0 115.128 173.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.9 p -58.12 -50.19 79.02 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.881 1 N-CA-C 123.413 4.598 . . . . 0.0 123.413 163.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.92 -55.65 2.44 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 117.581 2.437 . . . . 0.0 117.581 163.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -47.06 -54.78 9.55 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-O 112.975 -3.393 . . . . 0.0 117.938 164.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.472 2.1 pt-20 -49.14 -51.02 34.72 Favored 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 175.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -58.64 -49.85 76.01 Favored 'General case' 0 C--N 1.377 1.783 0 CA-C-O 113.072 -3.346 . . . . 0.0 115.166 165.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.8 t30 157.34 84.51 0.0 OUTLIER 'General case' 0 CA--C 1.599 2.837 0 CA-C-N 123.545 2.884 . . . . 0.0 106.283 153.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.0 t -150.91 94.34 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.186 -2.254 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 -164.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.59 -5.91 56.75 Favored 'General case' 0 N--CA 1.526 3.364 0 C-N-CA 131.237 3.815 . . . . 0.0 112.742 164.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.57 131.59 19.27 Favored 'General case' 0 CA--C 1.604 3.049 0 O-C-N 125.547 1.779 . . . . 0.0 114.196 -152.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.77 115.09 32.25 Favored Pre-proline 0 N--CA 1.512 2.637 0 CA-C-O 114.86 -2.495 . . . . 0.0 111.499 152.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -150.71 143.97 0.0 OUTLIER 'Cis proline' 1 C--N 1.443 5.502 1 CA-C-O 133.537 5.557 . . . . 0.0 120.212 -4.353 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.4 m -126.57 135.04 50.74 Favored 'General case' 0 C--O 1.279 2.609 0 CA-C-N 109.185 -3.643 . . . . 0.0 106.311 -140.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -132.39 106.25 7.77 Favored 'General case' 0 N--CA 1.499 2.003 0 CA-C-N 108.814 -3.812 . . . . 0.0 108.867 -165.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.382 17.6 mt -109.9 146.24 15.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 1 C-N-CA 132.357 4.263 . . . . 0.0 106.647 -171.541 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -136.57 104.72 5.65 Favored 'General case' 0 CA--C 1.582 2.177 0 CA-C-N 108.575 -3.92 . . . . 0.0 104.577 -159.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.48 125.76 35.19 Favored 'General case' 0 CA--C 1.586 2.339 2 N-CA-C 96.019 -5.549 . . . . 0.0 96.019 -166.035 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -118.28 172.3 7.54 Favored 'General case' 0 CA--C 1.568 1.663 1 CA-C-N 106.328 -4.942 . . . . 0.0 111.398 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.333 5.1 p-10 -59.7 47.45 0.01 OUTLIER 'General case' 0 CA--C 1.626 3.868 0 N-CA-C 119.636 3.199 . . . . 0.0 119.636 148.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.26 30.93 0.19 Allowed Glycine 0 N--CA 1.513 3.785 0 O-C-N 127.733 3.145 . . . . 0.0 112.01 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.474 48.0 mtmt 59.57 -151.22 0.42 Allowed 'General case' 1 CA--C 1.64 4.412 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -165.552 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.5 tp -72.87 89.92 1.42 Allowed 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.367 22.8 m -63.63 -29.24 46.75 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 N-CA-C 118.756 2.872 . . . . 0.0 118.756 171.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -165.82 170.04 14.32 Favored 'General case' 0 CA--C 1.573 1.828 0 CA-C-N 121.685 2.039 . . . . 0.0 112.718 -177.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -165.95 130.96 2.35 Favored 'General case' 0 CA--C 1.576 1.954 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 176.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 87.1 m -145.74 157.63 43.92 Favored 'General case' 0 CA--C 1.619 3.61 0 N-CA-C 102.717 -3.068 . . . . 0.0 102.717 -172.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.278 0.2 OUTLIER -150.17 107.9 0.43 Allowed 'Isoleucine or valine' 0 C--O 1.292 3.32 0 N-CA-C 100.939 -3.726 . . . . 0.0 100.939 -168.405 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -179.27 -158.01 20.77 Favored Glycine 0 C--N 1.393 3.705 0 CA-C-N 114.023 -1.444 . . . . 0.0 109.968 174.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -167.34 116.67 0.83 Allowed 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -161.57 122.18 2.69 Favored 'General case' 0 CA--C 1.602 2.969 0 C-N-CA 127.299 2.24 . . . . 0.0 108.44 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.326 38.2 pttt -45.28 -33.4 2.39 Favored 'General case' 1 CA--C 1.639 4.402 1 N-CA-C 123.065 4.469 . . . . 0.0 123.065 170.908 . . . . . . . . 4 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -105.55 -47.07 4.01 Favored 'General case' 0 CA--C 1.561 1.402 1 C-N-CA 132.397 4.279 . . . . 0.0 114.652 -176.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -49.72 -43.57 38.1 Favored Glycine 0 CA--C 1.544 1.879 0 O-C-N 126.449 2.343 . . . . 0.0 117.917 173.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.429 34.4 tp -62.3 -60.73 9.24 Favored Pre-proline 0 N--CA 1.501 2.09 1 CA-C-O 111.588 -4.053 . . . . 0.0 110.899 171.756 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . 0.252 32.3 Cg_exo -44.49 -41.88 14.06 Favored 'Trans proline' 1 CA--C 1.608 4.18 0 C-N-CA 124.836 3.691 . . . . 0.0 114.82 170.897 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.322 37.0 m -58.2 -47.23 84.11 Favored 'General case' 0 CA--C 1.593 2.627 0 N-CA-C 118.517 2.784 . . . . 0.0 118.517 174.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.305 49.6 tp -60.13 -61.36 2.66 Favored 'General case' 0 CA--C 1.564 1.482 0 CA-C-N 108.899 -3.773 . . . . 0.0 113.075 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 51.7 t -58.32 -36.86 60.12 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.614 0 N-CA-C 117.689 2.477 . . . . 0.0 117.689 169.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.09 -57.34 4.55 Favored 'General case' 0 CA--C 1.562 1.423 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 162.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -52.33 -49.27 64.61 Favored 'General case' 0 CA--C 1.579 2.064 0 N-CA-C 120.672 3.582 . . . . 0.0 120.672 166.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -60.6 -59.66 5.04 Favored 'General case' 0 CA--C 1.602 2.943 0 C-N-CA 126.71 2.004 . . . . 0.0 112.446 171.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -46.09 -45.12 16.11 Favored 'General case' 0 CA--C 1.581 2.135 0 N-CA-C 118.778 2.881 . . . . 0.0 118.778 171.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.9 m -57.38 -58.78 6.74 Favored 'General case' 1 N--CA 1.559 5.016 0 N-CA-C 116.2 1.926 . . . . 0.0 116.2 167.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.568 1.642 1 CA-C-O 128.934 4.207 . . . . 0.0 117.106 167.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.521 3.077 0 CA-C-O 122.454 1.121 . . . . 0.0 109.165 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -159.19 139.97 12.57 Favored 'General case' 0 CA--C 1.605 3.088 0 CA-C-O 127.589 3.566 . . . . 0.0 109.96 -174.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -161.03 166.8 27.6 Favored 'General case' 0 CA--C 1.576 1.968 0 O-C-N 117.514 -3.241 . . . . 0.0 112.168 -175.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.01 174.99 51.14 Favored Glycine 1 N--CA 1.532 5.067 1 O-C-N 129.167 4.042 . . . . 0.0 111.486 163.035 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -159.28 126.52 4.74 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 125.197 2.427 . . . . 0.0 107.733 -171.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.3 t -84.47 124.46 39.85 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.392 0 C-N-CA 129.792 3.237 . . . . 0.0 111.001 170.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.41 0.3 OUTLIER -126.13 114.52 38.96 Favored 'Isoleucine or valine' 1 CA--C 1.63 4.027 0 C-N-CA 130.268 3.427 . . . . 0.0 112.601 -179.629 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.41 137.38 52.97 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 118.388 -2.695 . . . . 0.0 112.557 165.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.1 m -149.28 131.11 15.13 Favored 'General case' 0 N--CA 1.493 1.724 1 CA-C-O 128.517 4.008 . . . . 0.0 106.696 -161.068 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -145.79 -15.38 0.48 Allowed 'General case' 0 CA--C 1.577 2.006 0 O-C-N 118.585 -2.572 . . . . 0.0 117.652 -160.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.9 p -149.79 -170.67 3.7 Favored 'General case' 0 CA--C 1.595 2.681 0 C-N-CA 125.205 1.402 . . . . 0.0 108.223 -163.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.256 8.4 p -61.09 -12.19 5.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 N-CA-C 120.17 3.396 . . . . 0.0 120.17 161.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.59 -54.69 33.89 Favored 'General case' 0 N--CA 1.523 3.182 0 O-C-N 119.869 -1.77 . . . . 0.0 114.825 163.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.488 ' HG1' HD13 ' A' ' 61' ' ' LEU 0.268 1.1 t -48.43 -41.82 30.48 Favored 'General case' 0 CA--C 1.578 2.052 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 165.047 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -52.59 -50.54 62.82 Favored 'General case' 0 CA--C 1.567 1.621 0 O-C-N 118.214 -2.804 . . . . 0.0 112.222 173.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.297 29.6 mtmt -48.28 -51.56 25.22 Favored 'General case' 0 CA--C 1.599 2.831 0 N-CA-C 118.306 2.706 . . . . 0.0 118.306 164.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -65.33 -60.55 2.85 Favored 'General case' 0 N--CA 1.535 3.782 0 N-CA-C 115.219 1.563 . . . . 0.0 115.219 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.4 ' O ' HD13 ' A' ' 29' ' ' ILE . 40.7 t-80 -51.49 -62.25 1.74 Allowed 'General case' 0 CA--C 1.591 2.546 0 C-N-CA 126.956 2.102 . . . . 0.0 114.265 176.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.89 -58.76 6.28 Favored 'General case' 0 CA--C 1.62 3.648 0 N-CA-C 120.128 3.381 . . . . 0.0 120.128 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.311 52.3 mm-40 -54.6 -47.08 73.82 Favored 'General case' 0 N--CA 1.509 2.507 0 CA-C-O 115.251 -2.309 . . . . 0.0 114.266 168.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -52.35 -60.19 3.52 Favored 'General case' 0 CA--C 1.617 3.527 0 CA-C-N 122.109 2.231 . . . . 0.0 116.078 165.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.36 -86.61 0.02 OUTLIER Glycine 0 N--CA 1.491 2.313 0 C-N-CA 125.129 1.347 . . . . 0.0 116.174 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -75.84 99.39 4.45 Favored 'General case' 0 C--O 1.196 -1.737 0 CA-C-O 125.083 2.373 . . . . 0.0 105.103 163.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.16 -48.46 0.48 Allowed Glycine 1 CA--C 1.623 6.797 0 C-N-CA 126.912 2.196 . . . . 0.0 112.994 161.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m -92.91 122.71 35.56 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 128.447 2.699 . . . . 0.0 105.174 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -58.87 77.51 0.01 OUTLIER 'General case' 0 N--CA 1.521 3.109 0 CA-C-O 125.471 2.558 . . . . 0.0 113.233 169.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -165.05 171.35 14.0 Favored 'General case' 0 C--O 1.273 2.301 0 CA-C-N 113.522 -1.672 . . . . 0.0 109.358 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.2 tp -94.26 150.58 20.17 Favored 'General case' 0 CA--C 1.604 3.028 0 CA-C-O 126.633 3.111 . . . . 0.0 107.394 165.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.4 HD13 ' O ' ' A' ' 18' ' ' HIS 0.292 1.0 OUTLIER -139.97 144.18 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.856 1 CA-C-N 107.802 -4.272 . . . . 0.0 102.718 178.683 . . . . . . . . 5 4 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.7 t -146.02 136.06 18.02 Favored 'Isoleucine or valine' 0 C--O 1.249 1.076 0 O-C-N 126.727 2.517 . . . . 0.0 106.808 -171.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 6.0 p -152.48 116.7 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.403 2.917 0 CA-C-O 125.121 2.391 . . . . 0.0 113.857 -164.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -78.41 129.61 35.14 Favored 'General case' 0 CA--C 1.569 1.689 0 CA-C-O 125.982 2.801 . . . . 0.0 106.797 168.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -114.85 103.55 11.06 Favored 'General case' 0 CA--C 1.594 2.66 1 N-CA-C 99.425 -4.287 . . . . 0.0 99.425 169.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.1 t -148.81 150.51 33.17 Favored 'General case' 0 C--O 1.264 1.857 0 N-CA-C 101.054 -3.684 . . . . 0.0 101.054 -169.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.52 152.49 22.17 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 128.175 2.59 . . . . 0.0 111.088 172.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.6 t -56.13 -39.06 71.67 Favored 'General case' 0 CA--C 1.582 2.18 0 N-CA-C 117.867 2.544 . . . . 0.0 117.867 158.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -62.07 71.84 0.02 OUTLIER 'General case' 0 C--O 1.193 -1.89 0 N-CA-C 117.367 2.358 . . . . 0.0 117.367 154.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.0 t -168.63 96.67 0.55 Allowed Pre-proline 1 N--CA 1.544 4.273 0 C-N-CA 127.514 2.325 . . . . 0.0 112.914 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -65.38 -44.38 9.03 Favored 'Trans proline' 0 N--CA 1.531 3.695 1 C-N-CA 126.924 5.083 . . . . 0.0 112.613 165.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -46.78 -49.71 11.85 Favored 'Trans proline' 0 CA--C 1.583 2.928 0 N-CA-C 121.851 3.751 . . . . 0.0 121.851 165.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.454 60.4 m -70.79 -18.02 62.76 Favored 'General case' 0 N--CA 1.508 2.434 1 N-CA-C 121.822 4.008 . . . . 0.0 121.822 159.749 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -55.84 -53.88 51.37 Favored 'General case' 0 N--CA 1.52 3.047 0 O-C-N 118.419 -2.676 . . . . 0.0 114.859 160.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.323 24.9 ptt? -59.85 -40.37 88.34 Favored 'General case' 0 N--CA 1.525 3.291 0 N-CA-C 118.707 2.855 . . . . 0.0 118.707 163.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.593 1.0 OUTLIER -52.18 -35.07 18.72 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.202 0 N-CA-C 119.853 3.279 . . . . 0.0 119.853 163.405 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.268 . . -48.59 -73.0 0.12 Allowed Pre-proline 0 N--CA 1.524 3.27 0 O-C-N 118.765 -2.46 . . . . 0.0 111.167 169.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -46.58 -33.61 13.53 Favored 'Trans proline' 0 N--CA 1.501 1.963 1 N-CA-C 125.946 5.325 . . . . 0.0 125.946 162.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.527 19.4 mm -51.49 -63.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.378 1.813 0 N-CA-C 119.086 2.995 . . . . 0.0 119.086 163.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.33 68.3 t80 -46.7 -42.84 17.2 Favored 'General case' 0 CA--C 1.605 3.093 0 CA-C-N 110.413 -3.085 . . . . 0.0 115.063 171.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.333 . . -56.52 -52.77 63.51 Favored 'General case' 0 CA--C 1.612 3.33 1 N-CA-C 124.608 5.04 . . . . 0.0 124.608 160.214 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -59.6 -51.42 69.89 Favored 'General case' 0 C--N 1.378 1.836 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 171.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.281 1.2 tm? -51.98 -40.35 60.79 Favored 'General case' 0 N--CA 1.509 2.488 0 N-CA-C 117.079 2.251 . . . . 0.0 117.079 161.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.43 -36.57 73.82 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 117.884 2.55 . . . . 0.0 117.884 166.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -66.06 -34.96 79.26 Favored 'General case' 1 N--CA 1.552 4.651 0 N-CA-C 117.798 2.518 . . . . 0.0 117.798 167.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -69.68 -28.76 66.12 Favored 'General case' 0 CA--C 1.574 1.866 0 CA-C-N 110.877 -2.874 . . . . 0.0 116.528 172.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -137.04 102.8 9.05 Favored Pre-proline 0 CA--C 1.627 3.916 0 C-N-CA 131.486 3.914 . . . . 0.0 111.77 -159.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.353 0.3 OUTLIER -64.37 -38.67 33.02 Favored 'Trans proline' 0 C--N 1.41 3.796 2 N-CA-C 131.61 7.504 . . . . 0.0 131.61 175.442 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.286 5.8 p-10 -65.11 2.08 0.85 Allowed 'General case' 0 N--CA 1.515 2.815 0 C-N-CA 131.337 3.855 . . . . 0.0 115.875 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.306 7.4 p -144.49 102.13 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.609 3.218 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -148.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . 0.33 11.9 m -62.89 154.56 29.81 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 118.794 2.887 . . . . 0.0 118.794 149.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -145.79 132.61 20.07 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 112.324 -2.217 . . . . 0.0 107.365 -165.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.488 HD13 ' HG1' ' A' ' 14' ' ' THR . 0.7 OUTLIER -153.51 151.38 29.75 Favored 'General case' 0 C--N 1.365 1.259 0 N-CA-C 104.315 -2.476 . . . . 0.0 104.315 -165.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.286 44.7 pttt -144.77 113.67 6.84 Favored 'General case' 0 C--O 1.262 1.713 0 C-N-CA 125.755 1.622 . . . . 0.0 109.961 -170.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.5 t -89.46 113.34 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.75 1 C-N-CA 132.585 4.354 . . . . 0.0 110.898 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -59.46 104.72 0.29 Allowed 'General case' 0 N--CA 1.519 3.006 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 151.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.9 p -56.09 -43.6 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.724 0 C-N-CA 125.255 1.422 . . . . 0.0 114.757 174.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -45.7 -38.03 6.44 Favored 'General case' 0 N--CA 1.519 2.986 0 CA-C-N 122.221 2.282 . . . . 0.0 113.518 172.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -63.2 -48.07 79.89 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 125.388 1.475 . . . . 0.0 114.26 166.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.7 mt -139.45 52.91 1.72 Allowed 'General case' 0 CA--C 1.581 2.141 0 C-N-CA 129.12 2.968 . . . . 0.0 111.362 -157.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -73.74 -49.23 26.55 Favored 'General case' 0 CA--C 1.582 2.205 0 C-N-CA 128.754 2.821 . . . . 0.0 110.016 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.93 -57.07 7.05 Favored 'General case' 0 C--N 1.397 2.651 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.412 12.3 p -52.44 -50.36 39.24 Favored 'Isoleucine or valine' 0 C--N 1.378 1.829 0 N-CA-C 121.001 3.704 . . . . 0.0 121.001 161.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.92 -49.66 29.34 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 117.751 -3.093 . . . . 0.0 112.901 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -53.67 -53.6 49.68 Favored 'General case' 0 N--CA 1.503 2.181 0 CA-C-O 113.312 -3.232 . . . . 0.0 109.943 170.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.798 1.2 pt-20 -44.61 -58.59 2.93 Favored 'General case' 0 C--O 1.275 2.431 0 N-CA-C 120.234 3.42 . . . . 0.0 120.234 175.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -58.0 -43.29 86.55 Favored 'General case' 0 N--CA 1.497 1.924 1 O-C-N 115.357 -4.59 . . . . 0.0 115.221 171.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.292 8.9 t30 146.53 86.73 0.0 OUTLIER 'General case' 0 CA--C 1.614 3.416 0 CA-C-O 126.083 2.849 . . . . 0.0 103.486 146.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . 0.387 7.4 t -134.45 73.78 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.611 3.321 0 CA-C-N 112.323 -2.217 . . . . 0.0 110.636 -174.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.297 0.0 OUTLIER -64.47 -19.74 65.75 Favored 'General case' 0 CA--C 1.587 2.387 0 N-CA-C 120.804 3.631 . . . . 0.0 120.804 148.184 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.04 141.49 23.37 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 124.044 1.878 . . . . 0.0 110.295 -160.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.06 119.51 73.46 Favored Pre-proline 0 N--CA 1.499 1.987 0 CA-C-N 110.164 -3.198 . . . . 0.0 106.241 171.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.341 9.0 Cg_endo -157.5 149.85 0.0 OUTLIER 'Cis proline' 0 C--N 1.399 3.235 0 N-CA-C 120.362 3.178 . . . . 0.0 120.362 -3.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.2 m -118.9 112.46 19.68 Favored 'General case' 0 N--CA 1.496 1.839 2 CA-C-N 103.725 -6.125 . . . . 0.0 105.95 -142.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -93.21 120.21 33.24 Favored 'General case' 0 C--O 1.302 3.817 0 O-C-N 127.492 2.995 . . . . 0.0 106.263 169.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -108.29 144.62 16.56 Favored 'Isoleucine or valine' 1 CA--C 1.633 4.156 0 C-N-CA 130.541 3.537 . . . . 0.0 109.095 179.535 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -128.66 111.52 13.26 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 100.771 -3.788 . . . . 0.0 100.771 -161.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.35 127.09 20.45 Favored 'General case' 0 CA--C 1.566 1.568 1 CA-C-O 131.603 5.478 . . . . 0.0 103.658 -169.421 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -128.09 176.26 7.77 Favored 'General case' 0 C--O 1.282 2.809 1 O-C-N 114.914 -4.866 . . . . 0.0 110.366 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -60.81 41.04 0.01 OUTLIER 'General case' 1 N--CA 1.545 4.281 0 CA-C-O 127.121 3.343 . . . . 0.0 119.809 157.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.48 44.65 0.39 Allowed Glycine 0 N--CA 1.493 2.442 0 CA-C-N 112.787 -2.006 . . . . 0.0 111.6 177.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.297 51.6 mtmt 50.9 -157.06 0.11 Allowed 'General case' 0 N--CA 1.527 3.385 0 C-N-CA 125.428 1.491 . . . . 0.0 113.114 -172.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.4 tp -66.76 92.96 0.23 Allowed 'General case' 0 CA--C 1.594 2.657 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 170.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.4 m -68.31 -30.16 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 1 N-CA-C 122.585 4.291 . . . . 0.0 122.585 170.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -168.0 164.23 13.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.047 -1.658 . . . . 0.0 113.222 -177.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . 0.337 18.0 pttm -157.01 139.16 14.56 Favored 'General case' 0 CA--C 1.609 3.215 0 C-N-CA 126.09 1.756 . . . . 0.0 110.033 -173.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 38.1 m -162.52 149.02 12.98 Favored 'General case' 0 C--N 1.288 -2.079 0 CA-C-O 124.622 2.153 . . . . 0.0 109.435 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.82 99.39 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.514 2.737 0 CA-C-O 126.75 3.166 . . . . 0.0 109.41 -163.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -166.05 -149.43 5.91 Favored Glycine 0 C--O 1.273 2.55 0 O-C-N 117.923 -2.986 . . . . 0.0 115.575 -177.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -176.83 102.65 0.06 Allowed 'General case' 0 CA--C 1.556 1.195 0 CA-C-N 122.935 3.367 . . . . 0.0 109.03 177.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -165.74 132.35 2.7 Favored 'General case' 0 CA--C 1.58 2.122 0 CA-C-N 120.982 1.719 . . . . 0.0 109.133 -173.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.431 36.5 pttt -47.39 -66.38 0.41 Allowed 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 119.145 3.017 . . . . 0.0 119.145 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.398 9.4 p-10 -56.89 -43.15 81.01 Favored 'General case' 0 CA--C 1.591 2.557 0 N-CA-C 116.669 2.1 . . . . 0.0 116.669 167.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -39.83 -81.36 0.03 OUTLIER Glycine 1 N--CA 1.529 4.854 0 N-CA-C 117.949 1.94 . . . . 0.0 117.949 174.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.298 57.8 tp -37.69 -57.34 1.58 Allowed Pre-proline 0 N--CA 1.508 2.45 1 N-CA-C 123.891 4.774 . . . . 0.0 123.891 172.75 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -43.31 -47.72 8.74 Favored 'Trans proline' 0 CA--C 1.588 3.222 0 C-N-CA 124.11 3.207 . . . . 0.0 119.369 160.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.472 89.7 m -52.08 -60.26 3.41 Favored 'General case' 0 N--CA 1.52 3.036 0 N-CA-C 116.75 2.13 . . . . 0.0 116.75 170.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 45.8 tp -53.41 -59.66 4.29 Favored 'General case' 0 CA--C 1.573 1.837 0 C-N-CA 128.267 2.627 . . . . 0.0 115.088 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.282 84.0 t -45.64 -55.38 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.517 2.91 0 O-C-N 117.681 -3.137 . . . . 0.0 116.04 166.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.69 -52.93 10.14 Favored 'General case' 0 C--N 1.368 1.396 0 N-CA-C 119.254 3.057 . . . . 0.0 119.254 169.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -46.13 -52.15 12.72 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 117.208 2.299 . . . . 0.0 117.208 161.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -57.81 -71.18 0.11 Allowed 'General case' 0 CA--C 1.615 3.476 0 N-CA-C 117.515 2.413 . . . . 0.0 117.515 174.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . 0.274 . . -55.9 -49.75 72.57 Favored 'General case' 0 CA--C 1.586 2.355 0 N-CA-C 119.324 3.083 . . . . 0.0 119.324 177.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.335 11.9 m -48.72 -68.14 0.21 Allowed 'General case' 0 N--CA 1.51 2.526 0 O-C-N 127.088 2.742 . . . . 0.0 113.1 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.608 0 N-CA-C 121.175 3.768 . . . . 0.0 121.175 167.442 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.834 0 CA-C-O 122.479 1.133 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -158.98 89.54 0.94 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 119.506 -1.996 . . . . 0.0 110.126 -171.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -164.0 166.64 21.34 Favored 'General case' 0 N--CA 1.514 2.757 0 O-C-N 118.691 -2.506 . . . . 0.0 115.396 -174.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.92 -176.5 42.49 Favored Glycine 0 CA--C 1.549 2.161 0 CA-C-N 112.199 -2.273 . . . . 0.0 114.159 153.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -156.86 157.45 34.94 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-O 125.108 2.385 . . . . 0.0 111.201 -170.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.9 t -125.16 121.67 61.3 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.626 0 C-N-CA 129.122 2.969 . . . . 0.0 105.969 -161.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.1 125.29 51.31 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.125 0 N-CA-C 102.469 -3.16 . . . . 0.0 102.469 -165.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.86 141.15 51.27 Favored 'General case' 0 C--O 1.246 0.892 0 N-CA-C 119.335 3.087 . . . . 0.0 119.335 163.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.446 ' SG ' HD13 ' A' ' 61' ' ' LEU . 62.2 m -146.67 132.57 19.1 Favored 'General case' 0 CA--C 1.595 2.686 0 CA-C-O 127.395 3.474 . . . . 0.0 106.565 -166.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -141.46 -4.32 1.13 Allowed 'General case' 0 N--CA 1.507 2.423 0 CA-C-N 108.717 -3.856 . . . . 0.0 119.046 -170.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.3 p -149.77 -169.37 3.36 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 119.465 -2.022 . . . . 0.0 112.265 -157.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.359 14.5 p -56.89 -13.97 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.539 3.984 1 N-CA-C 121.917 4.043 . . . . 0.0 121.917 153.137 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.265 76.5 m-20 -48.49 -48.62 37.85 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 118.637 2.829 . . . . 0.0 118.637 169.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.294 6.6 t -63.26 -31.27 72.38 Favored 'General case' 0 CA--C 1.603 3.018 0 CA-C-N 111.824 -2.444 . . . . 0.0 116.059 169.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . 0.253 19.4 m95 -54.25 -41.79 69.19 Favored 'General case' 0 CA--C 1.593 2.611 0 O-C-N 118.685 -2.51 . . . . 0.0 117.131 165.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -61.88 -54.86 36.24 Favored 'General case' 2 N--CA 1.54 4.075 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 159.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.318 33.8 mt-10 -56.28 -63.67 1.11 Allowed 'General case' 0 CA--C 1.575 1.915 1 N-CA-C 126.739 5.829 . . . . 0.0 126.739 175.661 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -53.06 -62.71 1.48 Allowed 'General case' 0 CA--C 1.592 2.593 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 173.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.406 1.1 t80 -50.52 -58.85 4.82 Favored 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 174.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.369 39.2 mm-40 -61.07 -60.38 3.86 Favored 'General case' 0 CA--C 1.571 1.78 0 C-N-CA 127.985 2.514 . . . . 0.0 115.142 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -47.26 -56.91 5.86 Favored 'General case' 0 N--CA 1.5 2.025 0 CA-C-N 122.86 2.573 . . . . 0.0 112.099 167.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.59 -95.31 0.01 OUTLIER Glycine 1 CA--C 1.61 5.974 1 C-N-CA 130.723 4.011 . . . . 0.0 111.592 -177.976 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -70.53 100.33 1.79 Allowed 'General case' 0 C--N 1.383 2.055 0 CA-C-O 122.817 1.294 . . . . 0.0 110.527 157.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.34 -41.31 0.51 Allowed Glycine 0 CA--C 1.552 2.4 0 CA-C-N 112.671 -2.059 . . . . 0.0 114.517 160.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.8 m -106.65 124.77 50.11 Favored 'General case' 0 CA--C 1.605 3.071 0 O-C-N 129.314 3.597 . . . . 0.0 106.843 -172.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -65.62 75.65 0.07 Allowed 'General case' 0 N--CA 1.506 2.36 0 CA-C-N 113.498 -1.683 . . . . 0.0 114.582 167.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.284 0.1 OUTLIER -158.25 164.02 36.87 Favored 'General case' 0 CA--C 1.627 3.908 0 N-CA-C 102.334 -3.21 . . . . 0.0 102.334 -178.526 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.34 31.8 tp -89.31 152.85 21.31 Favored 'General case' 0 C--O 1.266 1.94 0 CA-C-N 110.195 -3.184 . . . . 0.0 111.966 161.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.332 1.4 pt -148.87 133.78 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 C-N-CA 129.843 3.257 . . . . 0.0 104.229 -175.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -139.14 140.25 38.45 Favored 'Isoleucine or valine' 0 CA--C 1.629 3.999 0 CA-C-O 126.717 3.151 . . . . 0.0 102.924 -173.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.7 p -150.96 109.16 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.452 0 CA-C-O 124.279 1.99 . . . . 0.0 110.329 -164.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -66.68 136.95 56.3 Favored 'General case' 0 CA--C 1.573 1.86 0 C-N-CA 127.228 2.211 . . . . 0.0 114.218 158.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -135.54 93.61 2.98 Favored 'General case' 0 CA--C 1.561 1.394 0 N-CA-C 102.682 -3.081 . . . . 0.0 102.682 -169.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.1 t -135.72 151.63 50.34 Favored 'General case' 0 C--O 1.272 2.238 0 CA-C-O 127.9 3.714 . . . . 0.0 103.722 -161.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.86 128.58 33.52 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 110.866 -2.879 . . . . 0.0 114.295 158.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.298 8.0 t -47.32 -33.9 6.24 Favored 'General case' 0 N--CA 1.517 2.885 0 N-CA-C 120.021 3.341 . . . . 0.0 120.021 172.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 54.1 p-90 -83.91 90.24 7.36 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 128.577 2.751 . . . . 0.0 105.309 166.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.496 ' SG ' ' HD2' ' A' ' 40' ' ' PRO . 53.4 t -170.06 95.92 0.48 Allowed Pre-proline 0 CA--C 1.565 1.524 0 CA-C-O 113.46 -3.162 . . . . 0.0 110.772 174.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -53.03 -42.25 65.91 Favored 'Trans proline' 1 CA--C 1.633 5.458 0 N-CA-C 120.074 3.067 . . . . 0.0 120.074 159.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.496 ' HD2' ' SG ' ' A' ' 38' ' ' CYS . 24.2 Cg_exo -53.74 -50.54 13.4 Favored 'Trans proline' 1 CA--C 1.611 4.336 0 C-N-CA 124.294 3.329 . . . . 0.0 116.027 168.756 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.636 66.7 m -62.66 -28.06 69.67 Favored 'General case' 0 CA--C 1.582 2.178 1 N-CA-C 124.791 5.108 . . . . 0.0 124.791 160.256 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -56.16 -51.62 67.33 Favored 'General case' 0 CA--C 1.572 1.818 0 CA-C-O 112.466 -3.635 . . . . 0.0 115.802 163.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.354 11.6 ptt? -63.18 -35.16 79.37 Favored 'General case' 0 N--CA 1.502 2.139 1 N-CA-C 122.394 4.22 . . . . 0.0 122.394 159.484 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.581 1.0 OUTLIER -54.58 -38.37 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 166.415 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.261 . . -50.21 -56.81 15.52 Favored Pre-proline 0 C--O 1.186 -2.254 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 165.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -48.52 -40.94 37.39 Favored 'Trans proline' 0 N--CA 1.507 2.311 2 O-C-N 113.173 -4.172 . . . . 0.0 121.304 161.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.38 40.4 mm -51.06 -55.57 7.08 Favored 'Isoleucine or valine' 0 C--N 1.392 2.422 1 O-C-N 115.215 -4.678 . . . . 0.0 115.412 162.292 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.31 -31.97 70.78 Favored 'General case' 0 C--N 1.395 2.546 0 C-N-CA 127.527 2.331 . . . . 0.0 116.199 171.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.36 . . -68.5 -55.49 11.57 Favored 'General case' 0 C--O 1.276 2.498 0 N-CA-C 117.535 2.42 . . . . 0.0 117.535 163.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.256 7.1 tm-20 -50.83 -58.26 6.39 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 118.254 -2.779 . . . . 0.0 116.919 167.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.5 -47.35 14.16 Favored 'General case' 0 CA--C 1.571 1.768 0 O-C-N 127.358 2.911 . . . . 0.0 115.262 169.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.01 -44.27 74.39 Favored 'General case' 0 CA--C 1.559 1.304 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 168.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -56.4 -38.44 71.52 Favored 'General case' 0 N--CA 1.504 2.24 0 CA-C-O 127.891 3.71 . . . . 0.0 117.652 168.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -62.07 -30.07 70.74 Favored 'General case' 0 CA--C 1.608 3.184 1 O-C-N 116.164 -4.085 . . . . 0.0 118.359 166.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -136.97 98.51 10.48 Favored Pre-proline 1 CA--C 1.633 4.165 0 C-N-CA 127.489 2.315 . . . . 0.0 113.688 -156.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.516 0.1 OUTLIER -66.37 -35.26 31.94 Favored 'Trans proline' 0 N--CA 1.512 2.59 2 C-N-CA 131.969 8.446 . . . . 0.0 129.911 -179.294 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.447 7.4 p30 -69.71 -2.82 12.92 Favored 'General case' 0 N--CA 1.503 2.217 0 C-N-CA 128.34 2.656 . . . . 0.0 114.511 -176.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.353 2.6 p -140.57 118.54 9.91 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.141 0 CA-C-O 115.927 -1.987 . . . . 0.0 108.716 -142.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.5 m -88.83 146.84 24.73 Favored 'General case' 0 CA--C 1.597 2.769 0 C-N-CA 130.122 3.369 . . . . 0.0 102.602 174.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -133.35 126.92 32.4 Favored 'General case' 0 C--O 1.266 1.957 0 C-N-CA 130.901 3.68 . . . . 0.0 109.975 -176.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.446 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.433 0.4 OUTLIER -149.43 139.8 22.35 Favored 'General case' 0 N--CA 1.533 3.69 0 O-C-N 120.619 -1.3 . . . . 0.0 109.731 -164.215 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -138.36 120.33 15.49 Favored 'General case' 0 CA--C 1.577 2.013 0 N-CA-C 104.98 -2.23 . . . . 0.0 104.98 -156.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.9 t -127.26 119.77 53.4 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.02 0 N-CA-C 101.449 -3.537 . . . . 0.0 101.449 -157.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -63.71 108.22 1.37 Allowed 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 111.923 -2.399 . . . . 0.0 110.7 161.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.262 0.8 OUTLIER -60.05 -37.93 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.916 0 C-N-CA 125.799 1.64 . . . . 0.0 114.781 178.272 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -48.57 -47.86 39.3 Favored 'General case' 0 CA--C 1.565 1.551 0 N-CA-C 119.699 3.222 . . . . 0.0 119.699 168.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -67.28 -34.55 77.63 Favored 'General case' 0 CA--C 1.58 2.114 0 N-CA-C 121.043 3.72 . . . . 0.0 121.043 159.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.6 mt -141.83 61.29 1.46 Allowed 'General case' 0 CA--C 1.59 2.509 0 CA-C-O 125.472 2.558 . . . . 0.0 110.854 -163.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -80.0 -41.18 26.35 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 112.394 -2.184 . . . . 0.0 115.623 172.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.335 . . -54.52 -59.52 4.59 Favored 'General case' 0 CA--C 1.605 3.077 0 CA-C-N 121.455 1.934 . . . . 0.0 114.92 175.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.288 7.7 p -56.65 -57.93 7.48 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.672 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 169.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.25 -45.37 2.9 Favored 'General case' 0 N--CA 1.536 3.867 0 N-CA-C 120.401 3.482 . . . . 0.0 120.401 168.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -54.41 -54.1 45.26 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 127.241 2.216 . . . . 0.0 111.382 168.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.71 -51.22 40.2 Favored 'General case' 0 C--N 1.415 3.443 0 C-N-CA 128.702 2.801 . . . . 0.0 115.207 171.194 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.459 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 37.7 m95 -55.01 -57.06 13.25 Favored 'General case' 0 CA--C 1.601 2.925 0 CA-C-N 123.973 3.078 . . . . 0.0 109.942 171.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 75' ' ' TRP . 5.4 t30 154.73 89.5 0.0 OUTLIER 'General case' 1 N--CA 1.562 5.147 0 O-C-N 127.383 2.927 . . . . 0.0 103.725 155.625 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 t -151.13 67.71 0.06 OUTLIER 'Isoleucine or valine' 1 N--CA 1.546 4.356 0 CA-C-O 124.652 2.168 . . . . 0.0 107.268 -168.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.34 2.0 pp20? -68.28 -8.53 40.29 Favored 'General case' 0 CA--C 1.599 2.856 0 N-CA-C 120.579 3.548 . . . . 0.0 120.579 149.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.92 139.71 38.11 Favored 'General case' 0 CA--C 1.582 2.186 0 C-N-CA 130.129 3.372 . . . . 0.0 112.523 -165.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.16 121.79 73.98 Favored Pre-proline 0 N--CA 1.532 3.627 0 O-C-N 128.417 3.573 . . . . 0.0 105.373 162.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.429 25.7 Cg_endo -151.94 134.34 0.0 OUTLIER 'Cis proline' 1 N--CA 1.543 4.405 0 N-CA-C 120.181 3.108 . . . . 0.0 120.181 -12.608 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . 0.39 7.3 m -97.97 132.94 43.1 Favored 'General case' 0 C--O 1.176 -2.786 3 CA-C-N 105.508 -5.315 . . . . 0.0 110.935 -154.437 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -111.85 125.1 53.66 Favored 'General case' 0 C--O 1.289 3.15 1 CA-C-N 107.62 -4.355 . . . . 0.0 108.231 162.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.1 mt -123.28 133.66 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.437 1 O-C-N 134.729 7.518 . . . . 0.0 105.803 -176.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -114.73 112.23 22.5 Favored 'General case' 0 CA--C 1.603 2.996 0 N-CA-C 100.352 -3.944 . . . . 0.0 100.352 -165.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.33 118.57 19.6 Favored 'General case' 0 CA--C 1.622 3.731 1 N-CA-C 99.99 -4.078 . . . . 0.0 99.99 -177.044 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.25 45.8 tttt -102.15 174.51 5.89 Favored 'General case' 0 CA--C 1.569 1.702 0 C-N-CA 131.08 3.752 . . . . 0.0 112.277 175.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.268 4.2 p-10 -53.83 45.06 0.0 OUTLIER 'General case' 0 CA--C 1.623 3.76 0 N-CA-C 120.153 3.39 . . . . 0.0 120.153 151.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -173.67 47.1 0.15 Allowed Glycine 1 CA--C 1.601 5.418 0 C-N-CA 125.627 1.584 . . . . 0.0 115.684 176.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.354 9.9 mptt 51.2 -167.42 0.04 OUTLIER 'General case' 0 CA--C 1.596 2.728 0 C-N-CA 127.04 2.136 . . . . 0.0 110.755 -169.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.1 tp -53.46 109.94 0.5 Allowed 'General case' 0 N--CA 1.51 2.575 0 O-C-N 117.764 -3.085 . . . . 0.0 111.698 175.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.53 26.2 m -77.44 -53.13 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.614 0 CA-C-N 108.688 -3.869 . . . . 0.0 112.456 167.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -166.15 172.05 11.67 Favored 'General case' 1 N--CA 1.557 4.893 0 O-C-N 117.684 -3.135 . . . . 0.0 108.659 -172.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -161.97 136.87 7.11 Favored 'General case' 0 CA--C 1.615 3.479 0 CA-C-N 112.215 -2.266 . . . . 0.0 110.475 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 92.7 m -144.31 159.49 42.61 Favored 'General case' 0 CA--C 1.601 2.94 0 C-N-CA 127.13 2.172 . . . . 0.0 107.514 -176.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.324 0.2 OUTLIER -151.72 106.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 100.797 -3.779 . . . . 0.0 100.797 -164.392 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -176.5 -163.45 28.91 Favored Glycine 1 CA--C 1.591 4.799 1 CA-C-O 128.656 4.476 . . . . 0.0 105.93 172.532 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.97 93.8 1.78 Allowed 'General case' 0 CA--C 1.566 1.579 1 CA-C-N 107.368 -4.416 . . . . 0.0 109.353 -176.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -156.06 116.06 3.65 Favored 'General case' 0 C--O 1.182 -2.471 0 CA-C-O 126.601 3.096 . . . . 0.0 106.594 -167.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.291 56.5 pttt -50.77 -51.53 49.54 Favored 'General case' 0 N--CA 1.52 3.042 0 CA-C-N 108.966 -3.743 . . . . 0.0 118.51 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.35 -44.38 25.26 Favored 'General case' 0 C--O 1.289 3.177 0 C-N-CA 125.602 1.561 . . . . 0.0 115.168 170.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -44.66 -56.53 5.64 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 120.244 2.858 . . . . 0.0 120.244 175.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.302 60.9 tp -53.67 -53.23 59.6 Favored Pre-proline 0 CA--C 1.592 2.575 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 174.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -49.01 -48.74 17.21 Favored 'Trans proline' 1 CA--C 1.608 4.183 0 CA-C-N 123.622 2.329 . . . . 0.0 117.604 159.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.334 31.8 m -54.29 -60.5 3.25 Favored 'General case' 0 N--CA 1.532 3.672 0 C-N-CA 124.4 1.08 . . . . 0.0 109.812 -179.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 27.1 tp -50.78 -56.88 10.02 Favored 'General case' 0 CA--C 1.62 3.652 0 C-N-CA 126.573 1.949 . . . . 0.0 114.467 173.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.4 t -55.13 -46.16 77.48 Favored 'Isoleucine or valine' 1 N--CA 1.547 4.415 0 CA-C-O 116.097 -1.906 . . . . 0.0 115.746 171.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.53 -57.52 6.04 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 168.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -53.97 -36.57 63.02 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 117.788 2.514 . . . . 0.0 117.788 169.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.26 7.6 m-70 -65.15 -59.55 3.98 Favored 'General case' 0 C--N 1.379 1.853 0 O-C-N 117.395 -3.316 . . . . 0.0 115.288 170.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.81 -52.07 61.49 Favored 'General case' 0 CA--C 1.601 2.931 0 N-CA-C 116.148 1.907 . . . . 0.0 116.148 170.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 20.4 m -52.53 -45.02 66.11 Favored 'General case' 0 CA--C 1.592 2.56 0 N-CA-C 117.21 2.3 . . . . 0.0 117.21 169.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.625 3.861 0 CA-C-O 125.17 2.414 . . . . 0.0 113.263 169.074 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.706 0 CA-C-O 118.613 -0.708 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -162.33 94.83 0.91 Allowed 'General case' 0 CA--C 1.573 1.829 0 O-C-N 126.065 2.103 . . . . 0.0 107.474 -176.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -175.7 159.95 2.37 Favored 'General case' 0 N--CA 1.539 3.998 0 CA-C-O 124.588 2.137 . . . . 0.0 115.44 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.64 -163.26 10.77 Favored Glycine 0 CA--C 1.557 2.657 2 N-CA-C 99.715 -5.354 . . . . 0.0 99.715 -173.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -152.36 150.58 29.86 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 118.688 -2.654 . . . . 0.0 107.128 -165.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.76 123.44 68.27 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.438 0 CA-C-N 109.534 -3.484 . . . . 0.0 104.364 174.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.52 129.9 64.72 Favored 'Isoleucine or valine' 1 CA--C 1.629 4.006 0 C-N-CA 127.918 2.487 . . . . 0.0 110.649 -175.263 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.27 118.22 13.78 Favored 'General case' 0 CA--C 1.581 2.164 0 N-CA-C 118.17 2.656 . . . . 0.0 118.17 174.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 73.0 m -122.6 135.03 54.51 Favored 'General case' 0 CA--C 1.609 3.214 1 C-N-CA 131.745 4.018 . . . . 0.0 108.793 -167.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -142.67 -24.8 0.64 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 119.454 3.131 . . . . 0.0 119.454 -166.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.7 p -147.86 -166.63 2.58 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.031 -1.668 . . . . 0.0 109.963 -160.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.8 p -57.92 -24.73 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.744 0 CA-C-O 126.04 2.829 . . . . 0.0 116.873 166.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -49.22 -35.84 18.4 Favored 'General case' 0 CA--C 1.581 2.159 1 O-C-N 116.257 -4.027 . . . . 0.0 121.226 166.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.373 0.6 OUTLIER -61.29 -44.34 97.38 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 160.612 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -44.77 -51.39 9.43 Favored 'General case' 0 N--CA 1.527 3.403 0 N-CA-C 117.819 2.526 . . . . 0.0 117.819 168.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -56.44 -39.02 72.43 Favored 'General case' 0 CA--C 1.606 3.119 0 N-CA-C 116.749 2.129 . . . . 0.0 116.749 164.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -73.97 -64.14 1.07 Allowed 'General case' 0 C--O 1.214 -0.786 0 C-N-CA 126.066 1.746 . . . . 0.0 111.526 174.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -49.58 -60.26 3.02 Favored 'General case' 0 N--CA 1.493 1.705 1 N-CA-C 122.434 4.235 . . . . 0.0 122.434 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -55.39 20.46 Favored 'General case' 0 CA--C 1.598 2.82 0 N-CA-C 118.39 2.737 . . . . 0.0 118.39 173.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.592 1.1 mm-40 -61.0 -43.13 99.33 Favored 'General case' 0 N--CA 1.522 3.134 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 175.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.423 31.9 mmtp -59.28 -63.3 1.35 Allowed 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 119.953 3.316 . . . . 0.0 119.953 162.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.76 -68.34 1.15 Allowed Glycine 1 CA--C 1.606 5.733 0 CA-C-N 113.287 -1.779 . . . . 0.0 116.69 177.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm -83.83 88.14 7.1 Favored 'General case' 0 C--O 1.276 2.486 0 CA-C-N 113.284 -1.458 . . . . 0.0 110.518 157.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.26 -35.42 0.17 Allowed Glycine 0 CA--C 1.554 2.51 0 CA-C-N 108.928 -3.76 . . . . 0.0 117.75 169.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.9 m -120.01 139.55 52.33 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 129.919 3.288 . . . . 0.0 104.969 -168.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -72.63 80.4 1.1 Allowed 'General case' 0 N--CA 1.518 2.928 0 CA-C-N 112.041 -2.345 . . . . 0.0 110.644 165.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -167.51 163.68 14.79 Favored 'General case' 0 C--N 1.395 2.584 0 C-N-CA 128.755 2.822 . . . . 0.0 110.532 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 35.6 tp -86.22 142.38 28.63 Favored 'General case' 0 CA--C 1.585 2.303 0 C-N-CA 127.983 2.513 . . . . 0.0 109.154 161.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.292 0.9 OUTLIER -145.17 126.67 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.615 0 N-CA-C 102.241 -3.244 . . . . 0.0 102.241 -172.425 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 t -129.46 151.79 36.33 Favored 'Isoleucine or valine' 0 C--O 1.259 1.579 0 C-N-CA 130.775 3.63 . . . . 0.0 114.867 -169.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 p -156.36 122.11 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 C-N-CA 126.331 1.852 . . . . 0.0 108.053 -170.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -81.87 108.31 15.29 Favored 'General case' 0 CA--C 1.607 3.168 0 CA-C-N 111.807 -2.451 . . . . 0.0 116.419 157.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -85.43 102.42 13.43 Favored 'General case' 0 CA--C 1.594 2.651 0 C-N-CA 129.284 3.034 . . . . 0.0 105.012 168.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.8 t -151.22 144.71 24.9 Favored 'General case' 0 N--CA 1.515 2.804 0 N-CA-C 103.319 -2.845 . . . . 0.0 103.319 -168.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.262 . . -73.22 151.26 41.51 Favored 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 111.404 -2.635 . . . . 0.0 115.633 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.9 t -56.39 -39.87 73.67 Favored 'General case' 0 N--CA 1.52 3.061 0 O-C-N 117.596 -3.19 . . . . 0.0 118.297 154.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 61.5 p-90 -66.95 61.09 0.05 OUTLIER 'General case' 0 N--CA 1.503 2.206 0 C-N-CA 127.701 2.4 . . . . 0.0 114.476 161.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 28.6 t -156.38 79.96 3.85 Favored Pre-proline 0 C--N 1.406 3.047 0 CA-C-N 112.303 -2.226 . . . . 0.0 110.427 -172.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -52.63 -48.56 21.34 Favored 'Trans proline' 0 N--CA 1.513 2.674 1 C-N-CA 128.904 6.402 . . . . 0.0 114.496 161.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.298 71.9 Cg_exo -44.43 -50.85 7.59 Favored 'Trans proline' 0 C--N 1.39 2.735 0 C-N-CA 124.54 3.493 . . . . 0.0 118.573 168.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 38' ' ' CYS 0.347 5.6 m -71.39 -22.06 61.93 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 121.35 3.833 . . . . 0.0 121.35 166.202 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.29 56.8 tttp -63.0 -34.63 77.97 Favored 'General case' 0 CA--C 1.587 2.397 0 CA-C-N 120.376 1.444 . . . . 0.0 113.723 163.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.312 4.3 ptt? -67.92 -49.71 60.26 Favored 'General case' 1 N--CA 1.589 6.484 0 O-C-N 117.718 -3.114 . . . . 0.0 116.991 155.257 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.409 1.0 OUTLIER -50.73 -36.7 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.166 0 N-CA-C 118.392 2.738 . . . . 0.0 118.392 171.791 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.358 . . -44.68 -67.45 0.36 Allowed Pre-proline 0 N--CA 1.523 3.198 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 167.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -43.34 -43.03 10.56 Favored 'Trans proline' 0 C--O 1.252 1.22 1 N-CA-C 124.302 4.693 . . . . 0.0 124.302 156.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.276 38.4 mm -53.18 -63.87 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.604 3.023 0 O-C-N 118.564 -2.585 . . . . 0.0 113.855 167.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -51.33 -27.98 11.05 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 115.69 -2.1 . . . . 0.0 113.224 171.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.14 -48.77 50.1 Favored 'General case' 0 CA--C 1.581 2.166 0 C-N-CA 129.768 3.227 . . . . 0.0 114.663 164.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.279 3.7 tm-20 -49.43 -57.22 7.36 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-N 123.215 2.734 . . . . 0.0 114.404 166.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.417 HD22 ' O ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -49.87 -48.58 51.25 Favored 'General case' 0 N--CA 1.428 -1.562 0 CA-C-O 115.262 -2.304 . . . . 0.0 116.231 166.257 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.65 -48.99 28.53 Favored 'General case' 0 CA--C 1.581 2.16 0 N-CA-C 120.263 3.431 . . . . 0.0 120.263 167.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -56.13 -44.57 79.3 Favored 'General case' 0 N--CA 1.508 2.464 0 CA-C-O 115.606 -2.14 . . . . 0.0 115.188 166.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -54.57 -27.27 37.63 Favored 'General case' 1 CA--C 1.646 4.667 0 N-CA-C 119.734 3.235 . . . . 0.0 119.734 169.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -136.2 78.64 45.58 Favored Pre-proline 0 CA--C 1.556 1.18 0 CA-C-N 111.031 -2.804 . . . . 0.0 107.891 -159.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.251 18.5 Cg_endo -63.51 -19.89 68.64 Favored 'Trans proline' 0 CA--C 1.594 3.522 2 C-N-CA 127.913 5.742 . . . . 0.0 126.262 163.255 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.333 8.3 p30 -65.07 -4.54 4.91 Favored 'General case' 0 N--CA 1.531 3.601 0 C-N-CA 127.16 2.184 . . . . 0.0 116.63 173.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 28' ' ' LEU 0.414 3.4 p -145.89 110.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.417 3.515 0 CA-C-N 114.398 -1.274 . . . . 0.0 109.542 -154.035 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.2 m -67.47 154.49 41.26 Favored 'General case' 0 CA--C 1.578 2.03 0 O-C-N 118.555 -2.59 . . . . 0.0 112.808 160.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -139.0 130.33 26.95 Favored 'General case' 0 C--O 1.267 2.022 1 C-N-CA 131.97 4.108 . . . . 0.0 115.704 178.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.38 0.7 OUTLIER -137.29 157.46 46.57 Favored 'General case' 0 CA--C 1.582 2.173 0 C-N-CA 127.342 2.257 . . . . 0.0 109.891 -170.724 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -153.58 104.73 2.75 Favored 'General case' 0 N--CA 1.504 2.264 1 CA-C-O 128.613 4.054 . . . . 0.0 102.094 -163.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.8 t -80.34 115.49 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.189 1 CA-C-N 107.617 -4.356 . . . . 0.0 111.609 172.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -67.83 105.9 2.11 Favored 'General case' 0 N--CA 1.524 3.252 0 CA-C-O 123.334 1.54 . . . . 0.0 107.871 148.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.387 0.3 OUTLIER -63.83 -14.31 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.218 1 N-CA-C 122.169 4.137 . . . . 0.0 122.169 176.211 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -51.78 -58.7 5.66 Favored 'General case' 0 C--O 1.201 -1.489 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 166.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -64.51 -19.54 65.66 Favored 'General case' 0 CA--C 1.616 3.49 0 CA-C-O 113.989 -2.91 . . . . 0.0 117.141 169.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.5 mt -145.92 40.31 1.16 Allowed 'General case' 0 CA--C 1.582 2.189 0 C-N-CA 127.112 2.165 . . . . 0.0 113.501 -158.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.303 25.5 pttm -63.58 -54.66 32.58 Favored 'General case' 0 CA--C 1.597 2.757 0 C-N-CA 126.931 2.092 . . . . 0.0 116.442 163.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.02 -57.11 2.11 Favored 'General case' 1 N--CA 1.551 4.576 0 O-C-N 117.32 -3.362 . . . . 0.0 112.575 178.372 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.432 ' HA ' ' HG2' ' A' ' 74' ' ' GLU 0.263 9.9 p -61.42 -48.83 87.06 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.247 0 C-N-CA 128.694 2.798 . . . . 0.0 115.325 170.059 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.46 -55.97 2.66 Favored 'General case' 0 N--CA 1.511 2.608 0 N-CA-C 116.777 2.14 . . . . 0.0 116.777 170.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -59.68 -52.97 63.21 Favored 'General case' 0 CA--C 1.588 2.418 0 CA-C-N 111.706 -2.497 . . . . 0.0 111.287 173.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.432 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 2.0 pt-20 -52.1 -50.72 61.06 Favored 'General case' 0 N--CA 1.531 3.577 0 CA-C-N 123.243 2.747 . . . . 0.0 115.453 177.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.333 5.7 m95 -57.37 -45.67 84.2 Favored 'General case' 0 C--N 1.385 2.144 0 CA-C-N 125.079 3.581 . . . . 0.0 116.951 167.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.2 t30 148.04 90.65 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.08 0 O-C-N 126.349 2.281 . . . . 0.0 105.818 147.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.3 t -146.9 85.17 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 CA-C-O 125.74 2.686 . . . . 0.0 105.49 -170.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.74 3.36 19.61 Favored 'General case' 0 N--CA 1.513 2.718 0 N-CA-C 119.207 3.04 . . . . 0.0 119.207 156.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -160.12 129.63 5.18 Favored 'General case' 0 C--N 1.395 2.568 0 CA-C-O 122.758 1.266 . . . . 0.0 114.022 -169.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . 0.317 0.0 OUTLIER -62.65 116.57 24.42 Favored Pre-proline 0 CA--C 1.612 3.358 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.492 154.896 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -151.58 143.69 0.0 OUTLIER 'Cis proline' 2 CA--C 1.617 4.627 1 N-CA-C 127.848 6.057 . . . . 0.0 127.848 -4.497 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.8 m -133.33 125.77 29.94 Favored 'General case' 0 C--O 1.256 1.417 0 CA-C-O 125.774 2.702 . . . . 0.0 108.311 -136.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -104.02 130.86 51.7 Favored 'General case' 0 CA--C 1.583 2.218 1 CA-C-N 106.485 -4.87 . . . . 0.0 104.305 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -134.72 143.38 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.635 0 N-CA-C 102.16 -3.274 . . . . 0.0 102.16 -166.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -137.2 116.61 12.76 Favored 'General case' 0 CA--C 1.594 2.668 0 N-CA-C 100.442 -3.91 . . . . 0.0 100.442 -153.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.267 0.2 OUTLIER -128.37 128.63 44.89 Favored 'General case' 0 N--CA 1.511 2.591 0 C-N-CA 129.685 3.194 . . . . 0.0 103.695 -176.094 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -96.89 165.21 12.2 Favored 'General case' 0 C--O 1.194 -1.825 0 CA-C-N 109.148 -3.66 . . . . 0.0 113.148 174.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.253 3.5 p30 -63.9 52.33 0.02 OUTLIER 'General case' 1 N--CA 1.54 4.064 0 O-C-N 119.626 -1.921 . . . . 0.0 114.279 143.827 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -177.08 35.29 0.08 OUTLIER Glycine 0 CA--C 1.575 3.837 0 C-N-CA 128.781 3.086 . . . . 0.0 116.189 174.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.4 mptt 71.54 176.11 0.28 Allowed 'General case' 2 N--CA 1.554 4.774 0 C-N-CA 128.329 2.652 . . . . 0.0 111.189 -177.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . 0.258 19.4 tp -45.94 98.21 0.01 OUTLIER 'General case' 0 C--O 1.29 3.236 1 O-C-N 129.179 4.049 . . . . 0.0 112.197 175.473 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.385 12.0 m -70.9 -71.53 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.266 1.95 0 C-N-CA 126.995 2.118 . . . . 0.0 112.456 172.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . 0.267 5.2 t70 -153.41 177.52 10.81 Favored 'General case' 0 CA--C 1.566 1.593 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -163.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.9 pttm -164.17 159.35 20.13 Favored 'General case' 1 N--CA 1.541 4.12 0 C-N-CA 126.053 1.741 . . . . 0.0 112.557 -174.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 37.9 m -160.72 133.14 6.15 Favored 'General case' 0 CA--C 1.562 1.417 0 N-CA-C 103.024 -2.954 . . . . 0.0 103.024 -177.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.32 1.8 p -113.03 98.45 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.628 3.959 0 C-N-CA 129.675 3.19 . . . . 0.0 108.015 -174.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -176.42 -161.68 25.83 Favored Glycine 1 N--CA 1.534 5.22 0 CA-C-O 123.992 1.885 . . . . 0.0 113.45 172.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -163.16 101.96 0.97 Allowed 'General case' 0 N--CA 1.532 3.635 0 CA-C-N 112.719 -1.741 . . . . 0.0 108.25 -174.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -156.82 128.55 7.16 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 127.548 3.03 . . . . 0.0 106.357 -168.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -56.34 -61.33 2.47 Favored 'General case' 0 CA--C 1.597 2.751 0 C-N-CA 128.447 2.699 . . . . 0.0 116.779 -174.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -71.67 -44.44 64.27 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 118.701 2.852 . . . . 0.0 118.701 157.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -35.83 -53.61 1.14 Allowed Glycine 2 CA--C 1.604 5.627 0 N-CA-C 121.289 3.276 . . . . 0.0 121.289 172.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.293 13.5 tp -60.39 -56.58 33.92 Favored Pre-proline 0 CA--C 1.563 1.46 1 CA-C-O 111.568 -4.063 . . . . 0.0 112.494 168.779 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -48.49 -32.85 21.71 Favored 'Trans proline' 1 CA--C 1.619 4.743 2 CA-C-N 129.892 4.569 . . . . 0.0 117.829 165.841 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 49.1 m -60.81 -62.69 1.68 Allowed 'General case' 0 N--CA 1.519 2.986 0 C-N-CA 125.467 1.507 . . . . 0.0 112.458 172.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.3 tp -51.51 -59.65 4.02 Favored 'General case' 0 CA--C 1.563 1.459 1 O-C-N 129.908 4.505 . . . . 0.0 116.242 175.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.259 91.9 t -48.68 -50.7 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.539 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 167.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.68 -54.06 20.83 Favored 'General case' 0 N--CA 1.51 2.541 0 CA-C-O 123.411 1.577 . . . . 0.0 111.573 174.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . 0.339 88.5 mttt -49.81 -50.13 46.16 Favored 'General case' 0 C--O 1.2 -1.538 0 N-CA-C 120.224 3.416 . . . . 0.0 120.224 166.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -61.95 -46.89 87.29 Favored 'General case' 0 CA--C 1.605 3.059 0 N-CA-C 118.543 2.794 . . . . 0.0 118.543 172.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.3 -54.93 21.86 Favored 'General case' 0 CA--C 1.593 2.611 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.311 11.1 m -53.73 -47.2 70.82 Favored 'General case' 0 N--CA 1.505 2.314 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 171.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.285 2.945 0 C-N-CA 127.758 2.423 . . . . 0.0 112.421 158.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.826 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -146.53 83.87 1.61 Allowed 'General case' 0 C--N 1.373 1.6 0 O-C-N 117.97 -2.956 . . . . 0.0 106.769 -157.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -153.64 153.31 32.06 Favored 'General case' 0 C--O 1.278 2.56 0 CA-C-O 126.037 2.827 . . . . 0.0 116.193 -161.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.11 -166.66 18.6 Favored Glycine 0 C--O 1.253 1.295 0 CA-C-N 112.5 -2.136 . . . . 0.0 112.303 151.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -149.01 110.58 4.49 Favored 'General case' 0 N--CA 1.503 2.204 0 C-N-CA 125.445 1.498 . . . . 0.0 107.3 -169.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.3 t -85.95 112.56 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 C-N-CA 128.324 2.65 . . . . 0.0 108.614 173.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.58 128.03 50.58 Favored 'Isoleucine or valine' 1 CA--C 1.632 4.103 0 O-C-N 117.816 -3.053 . . . . 0.0 106.794 -162.411 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.17 145.28 47.56 Favored 'General case' 0 CA--C 1.581 2.165 0 C-N-CA 126.124 1.77 . . . . 0.0 115.285 166.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.558 ' SG ' ' HB2' ' A' ' 61' ' ' LEU . 96.6 m -150.51 141.88 23.34 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 103.113 -2.921 . . . . 0.0 103.113 -167.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -147.64 -15.17 0.38 Allowed 'General case' 0 CA--C 1.602 2.981 0 N-CA-C 118.074 2.62 . . . . 0.0 118.074 -168.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.1 p -146.08 -173.97 4.31 Favored 'General case' 0 CA--C 1.596 2.723 0 O-C-N 118.311 -2.743 . . . . 0.0 109.706 -154.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.17 -13.52 12.56 Favored 'Isoleucine or valine' 0 CA--C 1.62 3.655 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 160.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.273 18.1 m-20 -60.76 -39.9 90.48 Favored 'General case' 0 CA--C 1.578 2.024 0 N-CA-C 118.063 2.616 . . . . 0.0 118.063 169.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.89 -38.45 90.95 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 118.87 2.915 . . . . 0.0 118.87 163.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -47.6 -53.85 13.51 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-O 116.861 -1.542 . . . . 0.0 113.39 160.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -50.49 -33.82 22.76 Favored 'General case' 0 CA--C 1.608 3.2 0 N-CA-C 121.163 3.764 . . . . 0.0 121.163 164.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -76.28 -58.16 3.44 Favored 'General case' 0 CA--C 1.583 2.242 0 C-N-CA 130.706 3.602 . . . . 0.0 115.713 173.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.325 1.8 t-80 -51.75 -62.03 1.88 Allowed 'General case' 0 CA--C 1.571 1.785 0 O-C-N 127.122 2.764 . . . . 0.0 115.689 176.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -67.28 -55.89 12.06 Favored 'General case' 0 CA--C 1.577 1.986 0 O-C-N 127.596 3.06 . . . . 0.0 117.373 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -58.39 -48.89 79.18 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 123.647 2.93 . . . . 0.0 117.122 170.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -53.76 -61.66 2.16 Favored 'General case' 0 N--CA 1.525 3.303 0 O-C-N 118.652 -2.53 . . . . 0.0 115.822 161.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.92 -86.94 0.01 OUTLIER Glycine 0 C--N 1.377 2.848 0 N-CA-C 118.534 2.173 . . . . 0.0 118.534 174.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.69 97.98 3.34 Favored 'General case' 0 CA--C 1.579 2.058 0 O-C-N 127.127 2.31 . . . . 0.0 110.551 157.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.38 -58.96 0.13 Allowed Glycine 0 N--CA 1.488 2.163 0 CA-C-N 111.789 -2.46 . . . . 0.0 107.263 173.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.252 56.0 m -116.24 135.21 54.1 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 130.126 3.371 . . . . 0.0 111.424 -178.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -57.57 77.99 0.01 OUTLIER 'General case' 0 C--N 1.409 3.168 0 C-N-CA 127.984 2.514 . . . . 0.0 111.332 171.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -156.12 145.93 21.15 Favored 'General case' 0 C--O 1.273 2.331 0 C-N-CA 126.428 1.891 . . . . 0.0 108.952 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 20.0 tp -71.28 153.49 42.36 Favored 'General case' 0 CA--C 1.608 3.182 0 CA-C-O 125.288 2.47 . . . . 0.0 110.815 156.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.326 1.5 pp -149.28 126.41 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.911 0 N-CA-C 102.632 -3.099 . . . . 0.0 102.632 -175.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -136.03 112.09 12.52 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.895 0 C-N-CA 128.829 2.852 . . . . 0.0 103.755 -156.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.305 0.4 OUTLIER -130.07 101.93 6.52 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.31 0 CA-C-N 111.695 -2.502 . . . . 0.0 105.97 -156.727 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -65.66 150.67 48.09 Favored 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 130.316 3.446 . . . . 0.0 110.969 168.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -147.19 96.02 2.65 Favored 'General case' 0 C--O 1.283 2.818 1 N-CA-C 99.844 -4.132 . . . . 0.0 99.844 -174.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.491 ' HG1' ' HG ' ' A' ' 41' ' ' CYS . 14.9 t -145.53 154.54 42.3 Favored 'General case' 1 N--CA 1.541 4.097 0 CA-C-O 127.206 3.384 . . . . 0.0 103.469 -173.14 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.42 145.62 25.21 Favored 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 130.005 3.322 . . . . 0.0 110.999 169.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.8 t -54.63 -38.5 66.91 Favored 'General case' 0 C--O 1.204 -1.323 0 O-C-N 128.966 3.916 . . . . 0.0 118.309 168.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 28.2 p-90 -66.78 78.76 0.12 Allowed 'General case' 0 CA--C 1.58 2.121 0 N-CA-C 117.083 2.253 . . . . 0.0 117.083 162.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.8 t -167.02 89.78 0.75 Allowed Pre-proline 0 C--O 1.267 2.013 0 CA-C-O 117.049 -1.453 . . . . 0.0 110.697 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -48.82 -43.15 35.78 Favored 'Trans proline' 0 CA--C 1.599 3.752 0 N-CA-C 118.029 2.28 . . . . 0.0 118.029 161.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.376 25.8 Cg_exo -40.64 -59.21 0.8 Allowed 'Trans proline' 0 C--N 1.393 2.911 1 N-CA-C 123.05 4.212 . . . . 0.0 123.05 164.426 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.491 ' HG ' ' HG1' ' A' ' 34' ' ' THR . 0.9 OUTLIER -71.35 -14.9 62.34 Favored 'General case' 0 CA--C 1.583 2.214 0 N-CA-C 120.443 3.497 . . . . 0.0 120.443 163.474 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.32 20.8 tttp -57.9 -41.45 82.63 Favored 'General case' 0 CA--C 1.602 2.946 0 N-CA-C 121.344 3.831 . . . . 0.0 121.344 154.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.353 16.6 ptt? -67.82 -40.8 83.78 Favored 'General case' 0 N--CA 1.535 3.812 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 159.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.466 0.9 OUTLIER -56.83 -44.01 81.1 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.2 0 N-CA-C 117.364 2.357 . . . . 0.0 117.364 169.761 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.39 . . -41.29 -60.15 1.92 Allowed Pre-proline 0 N--CA 1.52 3.054 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 170.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -46.54 -47.21 16.02 Favored 'Trans proline' 0 CA--C 1.549 1.236 1 C-N-CA 125.883 4.388 . . . . 0.0 119.465 161.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.371 44.9 mm -54.76 -42.54 62.5 Favored 'Isoleucine or valine' 0 C--N 1.402 2.89 0 C-N-CA 126.516 1.926 . . . . 0.0 115.498 172.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -36.68 82.31 Favored 'General case' 0 N--CA 1.532 3.675 0 C-N-CA 129.757 3.223 . . . . 0.0 113.535 171.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.463 . . -62.3 -52.75 62.42 Favored 'General case' 0 CA--C 1.576 1.942 0 N-CA-C 121.384 3.846 . . . . 0.0 121.384 165.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.6 -57.2 8.75 Favored 'General case' 0 C--O 1.257 1.471 0 N-CA-C 117.263 2.319 . . . . 0.0 117.263 162.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.435 HD11 HG11 ' A' ' 107' ' ' VAL 0.339 1.5 tm? -48.74 -45.55 39.78 Favored 'General case' 0 CA--C 1.595 2.675 0 N-CA-C 117.898 2.555 . . . . 0.0 117.898 165.038 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.26 -41.62 50.65 Favored 'General case' 0 CA--C 1.594 2.652 0 CA-C-N 122.667 2.485 . . . . 0.0 117.388 168.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -63.99 -38.56 91.52 Favored 'General case' 0 CA--C 1.58 2.104 0 C-N-CA 128.902 2.881 . . . . 0.0 116.821 169.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -61.16 -38.16 85.47 Favored 'General case' 0 CA--C 1.598 2.808 0 N-CA-C 119.578 3.177 . . . . 0.0 119.578 167.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -129.39 78.35 75.91 Favored Pre-proline 1 CA--C 1.655 5.0 0 CA-C-N 111.557 -2.565 . . . . 0.0 116.093 -156.389 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -60.37 -20.34 62.67 Favored 'Trans proline' 1 CA--C 1.66 6.808 2 N-CA-C 129.056 6.522 . . . . 0.0 129.056 179.196 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.259 9.8 p30 -81.57 16.07 1.87 Allowed 'General case' 0 C--O 1.187 -2.201 0 C-N-CA 129.967 3.307 . . . . 0.0 118.402 175.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 28' ' ' LEU 0.469 4.3 p -151.64 118.08 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 120.151 -1.593 . . . . 0.0 109.522 -160.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.3 m -85.52 158.52 20.14 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 125.216 2.436 . . . . 0.0 105.497 172.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -150.61 124.83 9.42 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-O 124.763 2.221 . . . . 0.0 108.314 -164.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.558 ' HB2' ' SG ' ' A' ' 9' ' ' CYS 0.417 1.6 pp -146.27 156.15 43.17 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 125.826 2.727 . . . . 0.0 108.236 -170.238 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -146.25 108.94 4.52 Favored 'General case' 0 N--CA 1.507 2.404 0 CA-C-O 124.449 2.071 . . . . 0.0 108.86 -168.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.459 HG13 HD12 ' A' ' 68' ' ' LEU . 66.3 t -83.15 120.57 34.69 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.097 0 CA-C-N 110.61 -2.995 . . . . 0.0 107.284 177.398 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -70.97 106.81 3.79 Favored 'General case' 0 CA--C 1.586 2.347 0 CA-C-N 110.727 -2.942 . . . . 0.0 109.639 159.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.504 HG11 ' SD ' ' A' ' 80' ' ' MET 0.468 0.3 OUTLIER -55.23 -37.68 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 N-CA-C 119.552 3.167 . . . . 0.0 119.552 -179.641 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.77 -40.09 72.15 Favored 'General case' 0 C--O 1.246 0.896 0 C-N-CA 127.51 2.324 . . . . 0.0 112.777 175.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.8 -37.55 87.15 Favored 'General case' 0 C--N 1.365 1.242 0 N-CA-C 121.401 3.852 . . . . 0.0 121.401 165.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.459 HD12 HG13 ' A' ' 63' ' ' VAL . 38.3 mt -148.32 43.4 1.03 Allowed 'General case' 0 CA--C 1.601 2.925 0 CA-C-O 126.291 2.948 . . . . 0.0 116.535 -162.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -63.49 -46.51 85.82 Favored 'General case' 0 C--O 1.261 1.671 0 CA-C-N 110.421 -3.081 . . . . 0.0 117.937 171.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.14 -62.02 1.76 Allowed 'General case' 0 CA--C 1.599 2.863 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 174.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.365 5.5 p -50.74 -55.08 7.64 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.811 0 N-CA-C 119.406 3.113 . . . . 0.0 119.406 166.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.84 -56.7 10.96 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 113.762 -1.563 . . . . 0.0 113.631 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -54.73 -43.52 72.71 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 112.211 -2.268 . . . . 0.0 111.205 172.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.543 0.0 OUTLIER -41.78 -59.18 1.75 Allowed 'General case' 1 N--CA 1.542 4.156 0 N-CA-C 120.514 3.524 . . . . 0.0 120.514 168.557 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.348 10.0 m95 -53.31 -52.13 60.11 Favored 'General case' 0 CA--C 1.584 2.283 0 O-C-N 126.371 2.295 . . . . 0.0 115.22 166.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 23.7 t30 150.46 77.0 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 131.026 3.73 . . . . 0.0 107.962 151.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . 0.478 39.0 t -98.42 83.35 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.605 3.093 0 C-N-CA 129.314 3.046 . . . . 0.0 111.8 171.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.295 0.0 OUTLIER -63.01 -37.2 86.25 Favored 'General case' 0 N--CA 1.506 2.345 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 160.339 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.59 153.67 42.03 Favored 'General case' 0 C--O 1.258 1.507 0 CA-C-O 126.443 3.021 . . . . 0.0 110.01 -158.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.504 ' SD ' HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -73.61 109.65 7.08 Favored Pre-proline 0 C--N 1.385 2.125 1 CA-C-N 107.606 -4.361 . . . . 0.0 108.702 143.948 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.432 ' HG3' ' SG ' ' A' ' 41' ' ' CYS 0.286 58.8 Cg_endo -153.41 137.15 0.0 OUTLIER 'Cis proline' 0 CA--C 1.592 3.403 0 CA-C-O 129.602 3.918 . . . . 0.0 120.935 -5.164 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 m -101.07 135.56 42.33 Favored 'General case' 1 CA--C 1.661 5.233 2 C-N-CA 132.924 4.49 . . . . 0.0 104.077 -159.601 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -123.21 137.59 54.85 Favored 'General case' 0 C--N 1.399 2.738 0 CA-C-N 108.99 -3.732 . . . . 0.0 103.612 171.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.32 145.55 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 1 CA-C-N 107.948 -4.206 . . . . 0.0 106.982 -167.225 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -134.72 114.42 12.66 Favored 'General case' 0 N--CA 1.522 3.14 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 -154.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.84 120.77 24.18 Favored 'General case' 0 CA--C 1.609 3.242 1 N-CA-C 96.813 -5.255 . . . . 0.0 96.813 -171.803 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.335 50.9 tptt -101.2 177.9 4.81 Favored 'General case' 0 C--O 1.289 3.168 0 C-N-CA 127.526 2.331 . . . . 0.0 113.92 170.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -59.09 37.08 0.01 OUTLIER 'General case' 1 CA--C 1.653 4.937 0 N-CA-C 120.722 3.601 . . . . 0.0 120.722 147.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -159.46 35.31 0.47 Allowed Glycine 0 C--O 1.19 -2.629 0 N-CA-C 118.909 2.324 . . . . 0.0 118.909 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.28 7.8 mptt 68.82 -164.43 0.19 Allowed 'General case' 0 CA--C 1.583 2.218 0 C-N-CA 127.351 2.26 . . . . 0.0 111.244 -169.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.9 tp -69.97 95.9 0.99 Allowed 'General case' 0 C--N 1.398 2.679 0 C-N-CA 129.754 3.222 . . . . 0.0 111.837 173.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.263 20.4 m -70.15 -51.54 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.94 0 O-C-N 119.544 -1.972 . . . . 0.0 114.36 174.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -152.97 163.61 39.5 Favored 'General case' 0 CA--C 1.587 2.367 0 O-C-N 118.96 -2.338 . . . . 0.0 114.853 -161.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -163.18 123.11 2.22 Favored 'General case' 0 CA--C 1.587 2.386 0 O-C-N 125.986 2.054 . . . . 0.0 112.248 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.8 m -149.65 142.5 24.73 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 104.69 -2.337 . . . . 0.0 104.69 -171.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 p -135.24 106.95 7.18 Favored 'Isoleucine or valine' 0 C--N 1.258 -3.374 0 N-CA-C 102.606 -3.109 . . . . 0.0 102.606 -161.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 176.1 -163.26 32.59 Favored Glycine 0 C--N 1.379 2.946 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 170.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . 0.348 . . -165.32 106.73 0.78 Allowed 'General case' 0 N--CA 1.537 3.888 0 CA-C-O 124.203 1.954 . . . . 0.0 109.933 -176.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -155.85 131.17 9.49 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 125.967 1.707 . . . . 0.0 109.589 -175.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.28 50.5 pttt -41.75 -62.67 0.85 Allowed 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 120.444 3.498 . . . . 0.0 120.444 177.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.267 2.5 p-10 -62.21 -50.27 72.44 Favored 'General case' 0 N--CA 1.527 3.421 0 N-CA-C 121.549 3.907 . . . . 0.0 121.549 158.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -38.14 -64.09 0.85 Allowed Glycine 0 CA--C 1.566 3.219 0 N-CA-C 118.528 2.171 . . . . 0.0 118.528 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.307 60.1 tp -53.56 -56.14 27.9 Favored Pre-proline 0 CA--C 1.588 2.438 0 N-CA-C 117.993 2.59 . . . . 0.0 117.993 172.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -40.46 -43.2 4.09 Favored 'Trans proline' 0 CA--C 1.585 3.028 1 C-N-CA 125.304 4.003 . . . . 0.0 121.331 164.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.297 93.3 m -68.47 -49.85 56.76 Favored 'General case' 0 CA--C 1.597 2.766 0 O-C-N 127.938 3.274 . . . . 0.0 118.307 173.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.9 tp -53.65 -47.42 70.36 Favored 'General case' 1 N--CA 1.543 4.214 0 N-CA-C 119.41 3.115 . . . . 0.0 119.41 166.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.435 HG11 HD11 ' A' ' 51' ' ' LEU 0.363 57.7 t -61.36 -56.36 18.38 Favored 'Isoleucine or valine' 0 C--N 1.386 2.185 0 C-N-CA 130.087 3.355 . . . . 0.0 115.693 173.483 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.12 -49.81 50.57 Favored 'General case' 0 CA--C 1.582 2.179 0 N-CA-C 118.04 2.607 . . . . 0.0 118.04 169.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -53.27 -37.99 62.65 Favored 'General case' 0 CA--C 1.616 3.488 0 CA-C-O 124.027 1.87 . . . . 0.0 114.366 168.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.522 80.7 m-70 -66.82 -52.65 41.34 Favored 'General case' 0 CA--C 1.577 2.007 1 N-CA-C 123.113 4.486 . . . . 0.0 123.113 167.679 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.63 -37.78 76.65 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 119.565 3.172 . . . . 0.0 119.565 166.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 85.9 m -54.8 -75.28 0.03 OUTLIER 'General case' 1 CA--C 1.633 4.152 0 O-C-N 124.056 0.848 . . . . 0.0 112.315 158.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.971 0 C-N-CA 130.1 3.36 . . . . 0.0 119.082 172.17 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.58 2.109 0 CA-C-O 121.662 0.744 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -153.7 116.73 4.53 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 -169.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.36 12.0 pt-20 -155.41 161.22 41.05 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.474 1.509 . . . . 0.0 110.886 -174.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.99 165.79 37.62 Favored Glycine 1 CA--C 1.582 4.224 0 CA-C-N 111.998 -2.364 . . . . 0.0 114.638 155.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -152.51 117.4 5.12 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 123.897 1.808 . . . . 0.0 108.685 -164.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.4 t -84.48 118.42 31.65 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.705 0 C-N-CA 127.961 2.504 . . . . 0.0 106.312 174.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.274 0.3 OUTLIER -124.33 126.84 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.021 0 C-N-CA 131.022 3.729 . . . . 0.0 108.34 -175.83 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.76 142.82 58.0 Favored 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 121.393 3.849 . . . . 0.0 121.393 165.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.1 m -149.98 128.95 12.59 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 128.061 2.545 . . . . 0.0 108.783 -170.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -143.55 -17.04 0.63 Allowed 'General case' 0 CA--C 1.582 2.211 0 O-C-N 128.893 3.871 . . . . 0.0 115.928 -165.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.0 p -146.41 -175.56 4.83 Favored 'General case' 0 C--N 1.38 1.917 0 C-N-CA 127.741 2.416 . . . . 0.0 113.07 -160.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -52.75 -22.83 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.532 3.662 0 O-C-N 116.849 -3.657 . . . . 0.0 117.686 162.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.278 20.4 m-20 -44.56 -43.67 8.22 Favored 'General case' 0 N--CA 1.514 2.738 0 N-CA-C 118.475 2.768 . . . . 0.0 118.475 159.528 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.03 -28.3 68.76 Favored 'General case' 0 CA--C 1.578 2.02 0 N-CA-C 119.688 3.218 . . . . 0.0 119.688 163.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -56.65 -48.62 77.17 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 115.129 -2.367 . . . . 0.0 111.115 162.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.359 28.4 mtmt -55.98 -57.54 11.67 Favored 'General case' 0 N--CA 1.509 2.49 0 N-CA-C 118.414 2.746 . . . . 0.0 118.414 164.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -55.3 -65.36 0.6 Allowed 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 127.447 2.299 . . . . 0.0 114.549 177.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -50.0 -57.55 7.34 Favored 'General case' 0 N--CA 1.52 3.074 0 N-CA-C 117.333 2.345 . . . . 0.0 117.333 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.291 2.4 t80 -60.33 -62.77 1.62 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 127.763 3.164 . . . . 0.0 114.786 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.272 13.4 mm-40 -53.2 -50.27 65.03 Favored 'General case' 0 CA--C 1.598 2.805 0 N-CA-C 120.408 3.485 . . . . 0.0 120.408 174.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -58.29 -60.61 3.5 Favored 'General case' 0 CA--C 1.585 2.298 0 CA-C-O 123.882 1.801 . . . . 0.0 114.457 169.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.89 -88.38 0.01 OUTLIER Glycine 0 C--N 1.392 3.664 0 CA-C-N 113.315 -1.766 . . . . 0.0 112.791 176.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -71.74 97.75 1.83 Allowed 'General case' 0 N--CA 1.513 2.697 0 CA-C-N 113.954 -1.123 . . . . 0.0 111.883 158.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.66 -36.8 0.58 Allowed Glycine 0 CA--C 1.578 3.994 0 N-CA-C 118.042 1.977 . . . . 0.0 118.042 160.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.3 m -104.26 134.31 47.71 Favored 'General case' 0 CA--C 1.582 2.2 1 N-CA-C 99.912 -4.107 . . . . 0.0 99.912 176.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.313 8.1 mp0 -67.84 84.31 0.21 Allowed 'General case' 0 N--CA 1.509 2.512 0 CA-C-N 110.568 -3.014 . . . . 0.0 114.208 163.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -164.78 161.6 20.59 Favored 'General case' 0 CA--C 1.601 2.935 0 C-N-CA 128.706 2.802 . . . . 0.0 108.9 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 tp -95.46 144.37 26.02 Favored 'General case' 0 CA--C 1.57 1.718 2 O-C-N 129.716 4.385 . . . . 0.0 105.789 166.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.556 HG22 ' HB ' ' A' ' 59' ' ' THR 0.304 3.3 pt -138.11 144.47 30.61 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 CA-C-N 110.865 -2.88 . . . . 0.0 105.848 179.087 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.8 t -136.96 141.7 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.582 0 C-N-CA 128.853 2.861 . . . . 0.0 105.302 -169.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.439 2.6 p -144.01 106.35 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 127.105 2.162 . . . . 0.0 114.362 -168.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -65.04 151.04 47.01 Favored 'General case' 1 N--CA 1.552 4.632 0 CA-C-O 125.322 2.487 . . . . 0.0 113.44 152.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -141.17 99.63 3.62 Favored 'General case' 1 N--CA 1.563 5.182 1 N-CA-C 96.833 -5.247 . . . . 0.0 96.833 -173.496 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.0 t -148.92 140.16 23.17 Favored 'General case' 0 C--O 1.291 3.247 1 N-CA-C 99.678 -4.193 . . . . 0.0 99.678 -162.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.261 . . -78.39 154.38 30.77 Favored 'General case' 1 CA--C 1.65 4.811 0 C-N-CA 127.579 2.351 . . . . 0.0 108.68 167.389 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.251 0.2 OUTLIER -55.91 -48.89 74.85 Favored 'General case' 0 C--O 1.279 2.657 0 CA-C-O 124.774 2.226 . . . . 0.0 114.623 170.497 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 44.9 p-90 -66.66 86.53 0.12 Allowed 'General case' 0 CA--C 1.61 3.256 0 CA-C-N 110.392 -3.094 . . . . 0.0 113.905 161.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.9 t -168.0 89.05 0.68 Allowed Pre-proline 0 N--CA 1.5 2.071 0 CA-C-O 116.434 -1.746 . . . . 0.0 111.611 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -51.26 -40.65 60.8 Favored 'Trans proline' 1 CA--C 1.629 5.267 0 N-CA-C 122.09 3.842 . . . . 0.0 122.09 166.023 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.25 75.2 Cg_exo -53.49 -55.01 3.98 Favored 'Trans proline' 0 N--CA 1.501 1.964 0 C-N-CA 123.215 2.61 . . . . 0.0 117.746 165.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.462 ' SG ' ' HG3' ' A' ' 81' ' ' PRO 0.321 12.5 m -62.59 -20.76 65.04 Favored 'General case' 0 CA--C 1.584 2.261 0 N-CA-C 120.02 3.341 . . . . 0.0 120.02 162.779 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -57.62 -39.8 77.73 Favored 'General case' 0 CA--C 1.578 2.046 0 O-C-N 118.249 -2.782 . . . . 0.0 116.984 158.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.402 22.7 ptt? -67.55 -53.39 28.82 Favored 'General case' 0 N--CA 1.508 2.468 0 N-CA-C 117.889 2.551 . . . . 0.0 117.889 154.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.366 1.0 OUTLIER -49.44 -31.7 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 1 N-CA-C 122.192 4.145 . . . . 0.0 122.192 172.732 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.311 . . -54.22 -59.05 11.06 Favored Pre-proline 0 CA--C 1.591 2.538 0 C-N-CA 125.184 1.394 . . . . 0.0 113.843 171.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -54.65 -39.5 88.66 Favored 'Trans proline' 0 CA--C 1.586 3.118 0 N-CA-C 122.317 3.93 . . . . 0.0 122.317 160.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.29 47.2 mm -55.23 -54.38 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.293 0 O-C-N 124.862 1.351 . . . . 0.0 112.514 167.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.87 -47.34 8.25 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 118.475 2.769 . . . . 0.0 118.475 170.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.94 92.43 Favored 'General case' 0 CA--C 1.574 1.89 0 N-CA-C 119.696 3.221 . . . . 0.0 119.696 167.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -56.67 -51.49 68.55 Favored 'General case' 0 N--CA 1.537 3.884 0 N-CA-C 117.025 2.232 . . . . 0.0 117.025 164.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.3 2.2 tm? -53.21 -59.43 4.57 Favored 'General case' 0 CA--C 1.571 1.763 0 O-C-N 125.908 2.005 . . . . 0.0 115.461 168.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.75 -44.64 38.77 Favored 'General case' 0 N--CA 1.526 3.351 0 N-CA-C 117.3 2.333 . . . . 0.0 117.3 167.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -50.52 -45.58 56.72 Favored 'General case' 0 N--CA 1.508 2.435 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 163.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -56.66 -31.29 64.25 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 121.24 3.793 . . . . 0.0 121.24 170.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -131.69 95.09 23.88 Favored Pre-proline 0 N--CA 1.519 2.989 0 C-N-CA 128.648 2.779 . . . . 0.0 112.618 -159.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.429 35.8 Cg_endo -66.14 -40.47 15.48 Favored 'Trans proline' 0 CA--C 1.578 2.695 2 C-N-CA 130.712 7.608 . . . . 0.0 125.972 174.544 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -68.36 3.67 1.64 Allowed 'General case' 0 C--O 1.289 3.141 0 C-N-CA 127.7 2.4 . . . . 0.0 114.669 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.36 6.0 p -144.35 118.45 3.34 Favored 'Isoleucine or valine' 0 C--N 1.392 2.427 0 CA-C-O 126.189 2.899 . . . . 0.0 106.099 -155.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.556 ' HB ' HG22 ' A' ' 29' ' ' ILE . 15.6 m -87.16 155.89 19.92 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-O 128.21 3.862 . . . . 0.0 109.72 165.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -137.93 144.73 41.4 Favored 'General case' 0 C--N 1.361 1.069 0 CA-C-N 111.611 -2.541 . . . . 0.0 109.755 -172.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 pp -158.06 151.58 23.5 Favored 'General case' 0 CA--C 1.581 2.153 0 CA-C-O 124.468 2.08 . . . . 0.0 108.121 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -137.03 109.6 7.46 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 127.106 3.336 . . . . 0.0 105.898 -169.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.5 t -84.93 122.12 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 1 CA-C-N 107.285 -4.507 . . . . 0.0 102.422 174.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -79.01 115.33 18.62 Favored 'General case' 0 CA--C 1.577 1.984 0 O-C-N 116.301 -3.999 . . . . 0.0 105.354 158.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.381 0.3 OUTLIER -58.47 -42.34 84.08 Favored 'Isoleucine or valine' 0 C--N 1.386 2.172 0 C-N-CA 129.515 3.126 . . . . 0.0 114.774 -175.221 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.274 7.5 m-20 -43.95 -60.09 1.99 Allowed 'General case' 1 N--CA 1.545 4.29 0 C-N-CA 126.819 2.048 . . . . 0.0 110.925 179.253 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.96 -18.65 61.09 Favored 'General case' 0 C--O 1.255 1.347 0 N-CA-C 118.997 2.962 . . . . 0.0 118.997 169.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.5 mt -153.72 51.75 0.7 Allowed 'General case' 1 N--CA 1.548 4.451 0 O-C-N 117.4 -3.313 . . . . 0.0 109.749 -159.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.348 9.4 ptpt -67.13 -56.12 11.34 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 118.157 -2.839 . . . . 0.0 118.044 173.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.332 . . -46.32 -57.9 4.19 Favored 'General case' 0 N--CA 1.394 -3.237 0 O-C-N 127.379 2.925 . . . . 0.0 115.436 177.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.4 p -52.62 -52.16 29.13 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.139 0 N-CA-C 121.098 3.74 . . . . 0.0 121.098 158.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . 0.47 . . -44.6 -54.32 6.23 Favored 'General case' 1 N--CA 1.585 6.282 0 O-C-N 128.298 3.499 . . . . 0.0 118.458 173.555 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -52.53 -48.12 66.26 Favored 'General case' 0 C--N 1.273 -2.756 0 O-C-N 125.904 2.002 . . . . 0.0 112.689 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.456 0.0 OUTLIER -56.21 -42.13 76.71 Favored 'General case' 1 C--O 1.347 6.189 0 O-C-N 117.306 -3.371 . . . . 0.0 117.066 170.388 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.491 64.4 m95 -48.49 -54.18 15.25 Favored 'General case' 0 C--N 1.401 2.829 0 O-C-N 117.466 -3.271 . . . . 0.0 117.509 163.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.275 18.0 t-20 150.77 65.14 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.463 0 N-CA-C 103.893 -2.632 . . . . 0.0 103.893 154.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.5 t -135.8 94.05 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.536 3.835 2 N-CA-C 97.401 -5.037 . . . . 0.0 97.401 -160.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.85 -17.38 60.6 Favored 'General case' 2 N--CA 1.576 5.831 1 N-CA-C 122.96 4.43 . . . . 0.0 122.96 146.358 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -143.4 151.25 40.18 Favored 'General case' 0 CA--C 1.595 2.71 1 CA-C-O 128.582 4.039 . . . . 0.0 114.239 -168.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.3 mmt -102.06 107.64 53.44 Favored Pre-proline 0 C--O 1.285 2.968 0 CA-C-N 109.411 -3.54 . . . . 0.0 110.385 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.462 ' HG3' ' SG ' ' A' ' 41' ' ' CYS 0.33 0.4 OUTLIER -149.65 154.49 0.0 OUTLIER 'Cis proline' 1 CA--C 1.628 5.178 0 CA-C-O 128.567 3.486 . . . . 0.0 119.597 5.081 . . . . . . . . 5 4 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.532 HG23 ' HB ' ' A' ' 96' ' ' VAL 0.36 2.8 m -117.68 136.63 53.21 Favored 'General case' 0 CA--C 1.578 2.024 2 CA-C-N 103.153 -6.385 . . . . 0.0 104.01 -141.023 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -135.16 113.85 11.78 Favored 'General case' 0 C--N 1.379 1.886 1 O-C-N 114.604 -5.06 . . . . 0.0 110.739 -176.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 mt -125.82 136.75 59.86 Favored 'Isoleucine or valine' 1 CA--C 1.632 4.133 0 CA-C-N 109.096 -3.683 . . . . 0.0 103.891 -165.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -116.36 120.3 38.42 Favored 'General case' 0 N--CA 1.406 -2.657 1 CA-C-N 108.054 -4.157 . . . . 0.0 107.587 -165.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.43 119.64 12.15 Favored 'General case' 0 N--CA 1.512 2.668 1 N-CA-C 95.102 -5.888 . . . . 0.0 95.102 -166.881 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.299 70.2 tttt -120.42 178.58 4.61 Favored 'General case' 0 CA--C 1.588 2.428 0 C-N-CA 129.29 3.036 . . . . 0.0 108.368 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -54.54 40.41 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.288 1 N-CA-C 123.894 4.776 . . . . 0.0 123.894 155.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.37 54.48 0.14 Allowed Glycine 0 N--CA 1.499 2.892 0 C-N-CA 125.305 1.431 . . . . 0.0 114.428 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.428 ' HG2' ' H ' ' A' ' 91' ' ' LEU 0.497 17.4 ttmt 61.81 -165.08 0.23 Allowed 'General case' 0 N--CA 1.528 3.437 0 C-N-CA 126.332 1.853 . . . . 0.0 113.426 -176.017 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.428 ' H ' ' HG2' ' A' ' 90' ' ' LYS . 33.3 tp -55.39 104.49 0.13 Allowed 'General case' 0 C--O 1.267 2.004 0 C-N-CA 125.916 1.686 . . . . 0.0 115.265 168.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.407 31.6 m -76.19 -51.15 20.61 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.643 0 C-N-CA 130.165 3.386 . . . . 0.0 115.571 173.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -164.69 162.1 21.11 Favored 'General case' 0 C--N 1.403 2.913 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -169.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.87 144.54 21.47 Favored 'General case' 0 C--O 1.248 1.013 0 O-C-N 126.114 2.134 . . . . 0.0 111.49 -171.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.8 m -165.33 151.89 10.15 Favored 'General case' 0 CA--C 1.603 2.988 0 CA-C-O 126.932 3.253 . . . . 0.0 102.377 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.532 ' HB ' HG23 ' A' ' 82' ' ' THR 0.287 0.2 OUTLIER -134.68 101.69 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.801 0 N-CA-C 100.663 -3.829 . . . . 0.0 100.663 -171.127 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 176.14 112.75 0.32 Allowed Glycine 0 CA--C 1.568 3.371 0 CA-C-N 113.933 -1.485 . . . . 0.0 115.579 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.12 106.51 5.01 Favored 'General case' 0 CA--C 1.585 2.297 0 CA-C-O 116.231 -1.843 . . . . 0.0 113.671 170.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -162.06 113.6 1.66 Allowed 'General case' 0 C--N 1.384 2.089 0 N-CA-C 106.074 -1.825 . . . . 0.0 106.074 -173.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.294 38.2 pttt -39.79 -53.37 2.25 Favored 'General case' 0 CA--C 1.576 1.977 1 N-CA-C 124.885 5.143 . . . . 0.0 124.885 175.978 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.343 0.6 OUTLIER -65.64 -49.1 69.9 Favored 'General case' 0 CA--C 1.579 2.096 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 163.168 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -41.95 -68.7 0.66 Allowed Glycine 0 CA--C 1.55 2.255 0 C-N-CA 128.525 2.964 . . . . 0.0 117.67 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.6 tp -49.62 -48.54 76.09 Favored Pre-proline 0 CA--C 1.585 2.32 0 N-CA-C 117.192 2.293 . . . . 0.0 117.192 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -54.77 -41.06 81.59 Favored 'Trans proline' 0 N--CA 1.529 3.593 0 N-CA-C 122.106 3.848 . . . . 0.0 122.106 161.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.8 m -56.48 -56.28 23.24 Favored 'General case' 0 CA--C 1.589 2.467 0 N-CA-C 118.251 2.686 . . . . 0.0 118.251 166.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.1 tp -56.94 -38.04 72.35 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 119.517 3.154 . . . . 0.0 119.517 167.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.485 38.0 t -58.96 -52.04 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.812 0 C-N-CA 127.247 2.219 . . . . 0.0 116.525 165.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.27 -51.71 42.52 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 119.868 3.284 . . . . 0.0 119.868 170.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -55.94 -42.46 76.18 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 165.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.31 28.1 m-70 -60.69 -45.38 94.4 Favored 'General case' 0 C--N 1.4 2.764 1 N-CA-C 123.129 4.492 . . . . 0.0 123.129 166.362 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.2 -47.3 85.85 Favored 'General case' 0 CA--C 1.583 2.242 0 N-CA-C 116.801 2.149 . . . . 0.0 116.801 163.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 90.1 m -53.75 -67.31 0.27 Allowed 'General case' 0 CA--C 1.575 1.91 0 O-C-N 124.071 0.857 . . . . 0.0 112.134 172.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 123.946 1.832 . . . . 0.0 115.026 175.71 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 1.245 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -142.39 108.49 5.22 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 126.535 1.934 . . . . 0.0 106.843 -172.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.286 11.1 pt-20 -154.1 175.42 13.45 Favored 'General case' 0 CA--C 1.558 1.278 0 CA-C-O 124.228 1.966 . . . . 0.0 108.775 -166.271 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.58 167.22 50.55 Favored Glycine 0 N--CA 1.502 3.09 0 C-N-CA 126.819 2.152 . . . . 0.0 114.16 168.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -151.94 126.41 9.41 Favored 'General case' 0 CA--C 1.57 1.742 0 CA-C-N 112.276 -1.962 . . . . 0.0 106.224 -163.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.282 38.8 t -104.49 119.92 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.962 1 C-N-CA 131.878 4.071 . . . . 0.0 104.176 -177.375 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -135.53 130.99 50.85 Favored 'Isoleucine or valine' 1 N--CA 1.54 4.074 0 C-N-CA 129.686 3.194 . . . . 0.0 105.652 -179.542 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.42 152.94 13.49 Favored 'General case' 0 N--CA 1.515 2.824 0 N-CA-C 117.897 2.554 . . . . 0.0 117.897 153.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.596 ' SG ' HD13 ' A' ' 61' ' ' LEU . 68.9 m -150.41 144.07 25.21 Favored 'General case' 0 CA--C 1.606 3.132 0 CA-C-O 126.473 3.035 . . . . 0.0 108.943 -170.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -137.79 -46.59 0.54 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 119.411 -2.056 . . . . 0.0 116.234 -149.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -145.5 -169.51 3.23 Favored 'General case' 0 CA--C 1.607 3.173 0 C-N-CA 127.319 2.248 . . . . 0.0 113.422 -161.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.4 p -49.48 -18.43 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.533 3.701 0 N-CA-C 119.206 3.039 . . . . 0.0 119.206 156.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -56.22 -44.27 79.4 Favored 'General case' 0 C--N 1.365 1.265 0 O-C-N 117.138 -3.476 . . . . 0.0 115.585 164.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.43 3.8 t -58.6 -32.42 68.98 Favored 'General case' 0 N--CA 1.528 3.466 0 N-CA-C 117.279 2.326 . . . . 0.0 117.279 167.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -51.46 -37.05 46.9 Favored 'General case' 0 N--CA 1.507 2.393 0 N-CA-C 118.215 2.672 . . . . 0.0 118.215 160.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.271 27.6 mtmt -56.88 -59.03 5.65 Favored 'General case' 0 CA--C 1.561 1.396 0 CA-C-O 113.239 -3.267 . . . . 0.0 117.236 156.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -61.39 -64.67 0.87 Allowed 'General case' 0 CA--C 1.585 2.313 0 CA-C-N 121.997 2.18 . . . . 0.0 113.961 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -55.59 -59.76 4.39 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 129.054 2.942 . . . . 0.0 116.158 -178.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.313 1.7 t80 -58.67 -60.51 3.71 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 175.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.261 5.2 mm-40 -47.95 -56.48 7.52 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 120.393 3.479 . . . . 0.0 120.393 173.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -55.35 -60.21 3.72 Favored 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 117.756 2.502 . . . . 0.0 117.756 164.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.05 -86.78 0.01 OUTLIER Glycine 0 CA--C 1.554 2.516 0 N-CA-C 118.763 2.265 . . . . 0.0 118.763 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -69.53 99.17 1.23 Allowed 'General case' 0 CA--C 1.577 2.003 0 CA-C-O 123.713 1.721 . . . . 0.0 111.258 155.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.07 -54.44 0.45 Allowed Glycine 0 CA--C 1.559 2.843 0 CA-C-N 113.058 -1.883 . . . . 0.0 114.484 159.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.3 m -82.24 130.18 35.03 Favored 'General case' 0 CA--C 1.609 3.231 0 O-C-N 128.561 3.153 . . . . 0.0 111.049 171.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -56.75 77.54 0.0 OUTLIER 'General case' 0 CA--C 1.587 2.385 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 162.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -157.89 155.22 29.21 Favored 'General case' 0 CA--C 1.582 2.202 0 C-N-CA 127.712 2.405 . . . . 0.0 108.549 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 58' ' ' VAL 0.273 32.5 tp -76.72 152.48 35.68 Favored 'General case' 0 CA--C 1.606 3.131 0 CA-C-O 125.756 2.693 . . . . 0.0 112.264 152.087 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.3 pt -145.48 123.85 5.14 Favored 'Isoleucine or valine' 0 CA--C 1.605 3.066 0 N-CA-C 101.011 -3.7 . . . . 0.0 101.011 177.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.9 t -119.85 141.73 38.64 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.019 0 C-N-CA 130.287 3.435 . . . . 0.0 103.796 -177.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.413 6.8 p -151.1 104.56 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.85 0 CA-C-N 113.476 -1.693 . . . . 0.0 109.028 -161.462 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -58.51 141.69 51.13 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 120.432 3.493 . . . . 0.0 120.432 149.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -131.07 110.04 10.91 Favored 'General case' 0 C--O 1.293 3.381 1 C-N-CA 134.046 4.938 . . . . 0.0 102.158 177.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 t -146.71 152.26 38.54 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 103.235 -2.876 . . . . 0.0 103.235 -165.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.25 159.62 20.94 Favored 'General case' 0 N--CA 1.509 2.517 0 C-N-CA 127.156 2.182 . . . . 0.0 115.173 155.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 t -63.16 -43.58 97.89 Favored 'General case' 0 CA--C 1.588 2.414 0 C-N-CA 126.304 1.842 . . . . 0.0 108.433 161.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.297 60.9 p-90 -67.13 67.12 0.07 Allowed 'General case' 0 CA--C 1.613 3.375 0 N-CA-C 117.918 2.562 . . . . 0.0 117.918 162.008 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.9 t -166.01 89.21 0.88 Allowed Pre-proline 0 N--CA 1.509 2.513 0 O-C-N 121.356 -0.84 . . . . 0.0 108.737 -176.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -54.83 -45.65 39.32 Favored 'Trans proline' 0 CA--C 1.568 2.18 0 C-N-CA 125.151 3.901 . . . . 0.0 118.844 165.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -40.13 -50.53 3.46 Favored 'Trans proline' 1 N--CA 1.564 5.668 0 N-CA-C 122.32 3.931 . . . . 0.0 122.32 162.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 81' ' ' PRO 0.42 5.0 m -69.35 -29.01 66.72 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 117.734 2.494 . . . . 0.0 117.734 164.179 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.265 57.8 tttp -47.89 -49.73 28.87 Favored 'General case' 0 CA--C 1.581 2.164 0 O-C-N 116.666 -3.771 . . . . 0.0 116.062 161.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.408 3.7 ptt? -60.54 -48.4 81.95 Favored 'General case' 0 CA--C 1.587 2.379 0 CA-C-O 126.016 2.817 . . . . 0.0 118.062 162.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.34 1.0 OUTLIER -55.22 -34.78 33.89 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.547 0 N-CA-C 118.914 2.931 . . . . 0.0 118.914 175.609 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.453 ' HB3' ' HD3' ' A' ' 46' ' ' PRO 0.255 . . -48.56 -60.87 3.82 Favored Pre-proline 0 CA--C 1.584 2.267 0 CA-C-O 115.051 -2.404 . . . . 0.0 114.317 172.263 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' A' ' 45' ' ' ALA 0.412 25.8 Cg_exo -53.55 -43.22 59.54 Favored 'Trans proline' 0 CA--C 1.555 1.56 1 C-N-CA 126.098 4.532 . . . . 0.0 118.927 163.405 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.447 29.5 mm -50.16 -56.6 3.44 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.184 0 N-CA-C 121.399 3.851 . . . . 0.0 121.399 162.282 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -54.83 -28.32 48.7 Favored 'General case' 0 N--CA 1.51 2.553 0 C-N-CA 126.467 1.907 . . . . 0.0 113.849 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.93 -45.21 64.61 Favored 'General case' 0 C--O 1.282 2.771 0 N-CA-C 120.652 3.575 . . . . 0.0 120.652 163.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -58.83 -52.4 65.89 Favored 'General case' 0 N--CA 1.516 2.863 0 O-C-N 119.853 -1.78 . . . . 0.0 112.09 166.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.38 -47.09 47.94 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 168.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.74 -45.14 78.06 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 119.542 3.164 . . . . 0.0 119.542 173.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -57.3 -42.7 82.27 Favored 'General case' 0 CA--C 1.563 1.47 0 N-CA-C 115.556 1.688 . . . . 0.0 115.556 166.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.345 33.2 ttmt -51.09 -38.96 54.88 Favored 'General case' 1 CA--C 1.63 4.042 0 N-CA-C 118.706 2.854 . . . . 0.0 118.706 167.855 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . 0.292 2.5 m-85 -134.7 103.88 10.99 Favored Pre-proline 1 CA--C 1.632 4.097 0 O-C-N 125.838 1.961 . . . . 0.0 108.22 -156.618 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.291 44.1 Cg_endo -70.95 -39.16 4.45 Favored 'Trans proline' 0 N--CA 1.526 3.423 2 C-N-CA 129.277 6.651 . . . . 0.0 128.424 167.503 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -57.69 -4.11 0.25 Allowed 'General case' 1 CA--C 1.642 4.494 0 C-N-CA 127.068 2.147 . . . . 0.0 114.192 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 28' ' ' LEU 0.274 3.6 p -144.85 110.66 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.337 0 CA-C-O 125.738 2.685 . . . . 0.0 107.787 -152.107 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.3 m -65.27 158.15 27.06 Favored 'General case' 0 CA--C 1.606 3.111 0 O-C-N 119.161 -2.212 . . . . 0.0 113.416 164.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -149.44 114.39 5.41 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 117.077 -3.514 . . . . 0.0 109.09 -167.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.596 HD13 ' SG ' ' A' ' 9' ' ' CYS . 1.1 pp -143.74 155.44 44.19 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 126.195 1.798 . . . . 0.0 110.73 -166.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -151.53 121.91 7.32 Favored 'General case' 0 C--O 1.261 1.687 0 CA-C-O 126.236 2.922 . . . . 0.0 108.994 -164.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 70.3 t -94.12 131.41 41.1 Favored 'Isoleucine or valine' 1 CA--C 1.668 5.486 0 C-N-CA 129.273 3.029 . . . . 0.0 108.34 -176.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -75.55 100.73 4.66 Favored 'General case' 0 N--CA 1.512 2.632 0 CA-C-N 112.081 -2.327 . . . . 0.0 110.199 157.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.321 2.9 p -45.46 -42.81 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.446 0 C-N-CA 129.643 3.177 . . . . 0.0 118.341 173.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.462 8.5 m-20 -53.43 -54.38 37.8 Favored 'General case' 0 N--CA 1.533 3.696 0 CA-C-N 120.702 1.592 . . . . 0.0 111.774 169.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.399 42.7 mt-10 -52.21 -31.37 31.58 Favored 'General case' 0 CA--C 1.605 3.093 0 N-CA-C 118.214 2.672 . . . . 0.0 118.214 170.238 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.6 mt -156.09 64.9 0.57 Allowed 'General case' 0 CA--C 1.624 3.82 0 O-C-N 116.622 -3.799 . . . . 0.0 107.153 -170.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -63.54 -49.2 74.4 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 119.285 3.068 . . . . 0.0 119.285 165.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.92 -63.91 0.97 Allowed 'General case' 1 CA--C 1.636 4.288 0 N-CA-C 119.143 3.016 . . . . 0.0 119.143 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.0 p -59.57 -35.6 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.197 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 164.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.82 -51.34 67.82 Favored 'General case' 0 N--CA 1.515 2.81 0 O-C-N 117.485 -3.259 . . . . 0.0 113.99 170.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -50.88 -50.49 57.07 Favored 'General case' 0 N--CA 1.491 1.609 1 CA-C-O 109.656 -4.973 . . . . 0.0 109.492 172.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.478 0.0 OUTLIER -48.73 -56.77 7.65 Favored 'General case' 0 CA--C 1.617 3.545 0 O-C-N 127.113 2.758 . . . . 0.0 115.644 177.601 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -59.49 -43.57 93.28 Favored 'General case' 0 C--N 1.41 3.197 0 CA-C-O 116.289 -1.815 . . . . 0.0 111.829 176.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.409 28.8 t-20 147.61 86.66 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 113.769 -3.015 . . . . 0.0 107.782 148.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.1 t -145.9 86.86 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.433 1 N-CA-C 98.286 -4.709 . . . . 0.0 98.286 -169.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.423 ' H ' ' HG3' ' A' ' 78' ' ' GLU 0.306 0.0 OUTLIER -85.24 -9.36 57.84 Favored 'General case' 0 N--CA 1.415 -2.183 0 C-N-CA 129.62 3.168 . . . . 0.0 116.627 148.461 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . 0.338 . . -152.66 143.76 23.1 Favored 'General case' 0 N--CA 1.537 3.879 0 CA-C-O 125.445 2.545 . . . . 0.0 112.008 -170.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.4 mmt -67.82 128.23 93.4 Favored Pre-proline 1 CA--C 1.66 5.181 0 N-CA-C 117.215 2.302 . . . . 0.0 117.215 153.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HB2' ' SG ' ' A' ' 41' ' ' CYS 0.46 93.5 Cg_endo -143.24 159.33 0.0 OUTLIER 'Cis proline' 0 C--O 1.158 -3.489 1 C-N-CA 117.095 -4.127 . . . . 0.0 116.563 -15.634 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 m -131.32 121.08 24.08 Favored 'General case' 0 C--O 1.271 2.195 1 CA-C-N 107.154 -4.567 . . . . 0.0 111.083 -140.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -99.63 128.44 45.74 Favored 'General case' 0 C--N 1.381 1.945 1 CA-C-O 129.862 4.649 . . . . 0.0 110.748 173.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.257 2.0 mt -128.09 134.8 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.542 0 CA-C-N 109.138 -3.664 . . . . 0.0 108.225 -174.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.451 ' HB2' ' HB3' ' A' ' 93' ' ' ASP . 71.3 m-85 -123.46 104.88 9.35 Favored 'General case' 0 C--O 1.264 1.831 2 O-C-N 131.819 5.699 . . . . 0.0 101.942 -166.419 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.98 129.47 49.3 Favored 'General case' 0 C--N 1.382 1.988 1 CA-C-O 129.164 4.316 . . . . 0.0 101.313 -179.195 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.306 52.8 tttt -141.06 169.07 18.31 Favored 'General case' 0 N--CA 1.527 3.399 0 O-C-N 117.555 -3.216 . . . . 0.0 105.826 -172.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -51.76 57.94 0.0 OUTLIER 'General case' 0 C--N 1.392 2.436 1 N-CA-C 122.474 4.249 . . . . 0.0 122.474 163.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 175.59 51.32 0.06 OUTLIER Glycine 0 CA--C 1.556 2.64 0 C-N-CA 128.241 2.829 . . . . 0.0 110.125 167.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt 57.81 -160.01 0.25 Allowed 'General case' 0 CA--C 1.618 3.569 0 CA-C-N 122.655 3.228 . . . . 0.0 115.962 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.9 tp -61.48 86.8 0.02 OUTLIER 'General case' 0 CA--C 1.581 2.14 0 C-N-CA 129.152 2.981 . . . . 0.0 118.108 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.271 27.7 m -68.37 -50.56 55.9 Favored 'Isoleucine or valine' 0 CA--C 1.613 3.384 1 CA-C-O 111.489 -4.1 . . . . 0.0 118.191 175.516 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.451 ' HB3' ' HB2' ' A' ' 85' ' ' PHE . 21.5 t70 -157.38 164.08 37.91 Favored 'General case' 0 CA--C 1.615 3.448 0 CA-C-N 122.684 2.493 . . . . 0.0 108.053 -166.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.36 144.3 20.72 Favored 'General case' 0 C--O 1.275 2.41 0 O-C-N 126.701 2.5 . . . . 0.0 112.583 -177.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 36.6 m -162.11 111.66 1.5 Allowed 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 103.451 -2.796 . . . . 0.0 103.451 -177.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.25 4.0 p -93.08 97.43 7.17 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.358 0 C-N-CA 130.372 3.469 . . . . 0.0 106.136 176.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 152.88 99.13 0.18 Allowed Glycine 0 C--O 1.29 3.616 0 CA-C-N 112.79 -2.004 . . . . 0.0 112.518 160.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.36 134.25 18.92 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 118.762 2.875 . . . . 0.0 118.762 166.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -153.75 133.22 12.83 Favored 'General case' 0 C--N 1.397 2.647 0 N-CA-C 102.261 -3.237 . . . . 0.0 102.261 -175.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.292 54.3 pttt -50.11 -58.64 5.1 Favored 'General case' 0 CA--C 1.612 3.337 0 N-CA-C 118.577 2.806 . . . . 0.0 118.577 178.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -70.27 -44.53 68.23 Favored 'General case' 0 CA--C 1.614 3.43 0 N-CA-C 118.873 2.916 . . . . 0.0 118.873 168.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -48.85 -43.2 30.23 Favored Glycine 0 C--N 1.344 0.976 0 CA-C-O 125.703 2.835 . . . . 0.0 119.79 177.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.279 37.8 tp -53.41 -68.8 0.4 Allowed Pre-proline 0 CA--C 1.602 2.98 0 O-C-N 117.284 -3.48 . . . . 0.0 109.933 168.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -38.08 -42.3 1.46 Allowed 'Trans proline' 0 C--O 1.214 -0.681 3 C-N-CA 127.564 5.509 . . . . 0.0 124.592 157.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 m -56.79 -60.57 3.37 Favored 'General case' 0 C--O 1.269 2.079 0 N-CA-C 118.303 2.705 . . . . 0.0 118.303 173.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 40.8 tp -58.98 -51.28 70.76 Favored 'General case' 0 CA--C 1.587 2.369 0 C-N-CA 127.706 2.402 . . . . 0.0 116.129 170.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 62.0 t -52.06 -55.6 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 CA-C-N 122.08 2.218 . . . . 0.0 112.55 173.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.79 -41.89 24.59 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 119.992 3.33 . . . . 0.0 119.992 168.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -58.53 -48.11 81.95 Favored 'General case' 0 CA--C 1.6 2.889 0 N-CA-C 117.792 2.516 . . . . 0.0 117.792 158.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.356 4.2 m-70 -59.87 -66.69 0.48 Allowed 'General case' 0 CA--C 1.577 1.986 0 C-N-CA 129.631 3.172 . . . . 0.0 113.543 174.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.0 -51.31 54.24 Favored 'General case' 0 N--CA 1.525 3.277 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 172.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.416 15.6 m -56.85 -89.12 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.525 0 C-N-CA 127.947 2.499 . . . . 0.0 116.933 164.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.91 0 O-C-N 126.337 2.273 . . . . 0.0 113.545 170.792 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.512 2.634 0 CA-C-O 124.108 1.909 . . . . 0.0 112.644 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -139.33 114.16 9.35 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 104.183 -2.525 . . . . 0.0 104.183 -165.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.423 8.2 pt-20 -151.33 154.55 36.93 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 123.952 1.834 . . . . 0.0 115.857 -167.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.6 170.38 13.08 Favored Glycine 0 N--CA 1.507 3.408 0 CA-C-N 110.976 -2.829 . . . . 0.0 117.219 157.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -150.22 108.57 3.78 Favored 'General case' 0 CA--C 1.567 1.602 0 CA-C-O 123.268 1.508 . . . . 0.0 108.361 -165.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.9 t -82.21 126.26 39.93 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 CA-C-N 112.41 -2.177 . . . . 0.0 107.594 173.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.251 0.3 OUTLIER -132.32 129.96 59.95 Favored 'Isoleucine or valine' 0 C--O 1.303 3.919 0 C-N-CA 128.572 2.749 . . . . 0.0 104.052 -177.568 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.93 149.92 49.18 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 119.502 -1.999 . . . . 0.0 115.315 159.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.466 ' SG ' HD13 ' A' ' 61' ' ' LEU . 66.9 m -149.7 125.57 10.51 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-O 125.101 2.381 . . . . 0.0 106.153 -164.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -123.47 -41.0 2.31 Favored 'General case' 0 CA--C 1.618 3.586 0 C-N-CA 130.868 3.667 . . . . 0.0 113.7 -160.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.2 p -149.54 -170.96 3.77 Favored 'General case' 0 CA--C 1.592 2.589 0 C-N-CA 126.749 2.02 . . . . 0.0 108.806 -167.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 p -59.37 -11.14 2.25 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.98 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 172.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.42 -38.96 72.26 Favored 'General case' 0 CA--C 1.586 2.348 1 CA-C-O 110.421 -4.609 . . . . 0.0 115.92 153.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.49 -38.51 59.66 Favored 'General case' 0 CA--C 1.617 3.542 0 CA-C-N 124.745 3.43 . . . . 0.0 115.996 158.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 41.0 m95 -51.4 -52.22 47.86 Favored 'General case' 0 N--CA 1.504 2.239 0 CA-C-N 120.948 1.704 . . . . 0.0 115.332 165.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.357 38.1 mtmt -52.08 -34.67 44.92 Favored 'General case' 0 CA--C 1.606 3.111 1 N-CA-C 121.81 4.004 . . . . 0.0 121.81 163.919 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -73.05 -63.51 1.16 Allowed 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 173.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -59.6 -58.41 8.72 Favored 'General case' 0 N--CA 1.506 2.343 1 C-N-CA 134.496 5.119 . . . . 0.0 119.079 -172.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.301 0.2 OUTLIER -64.52 -53.65 44.64 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 128.025 2.53 . . . . 0.0 116.665 174.024 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -49.14 -53.22 21.89 Favored 'General case' 0 C--O 1.268 2.076 0 N-CA-C 118.704 2.853 . . . . 0.0 118.704 166.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -57.65 -59.23 5.51 Favored 'General case' 0 CA--C 1.614 3.431 0 CA-C-O 123.456 1.598 . . . . 0.0 114.018 169.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.2 -83.79 0.02 OUTLIER Glycine 0 C--O 1.256 1.476 0 CA-C-O 123.576 1.653 . . . . 0.0 116.61 177.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -80.58 92.55 5.95 Favored 'General case' 0 C--N 1.288 -2.089 0 C-N-CA 126.141 1.776 . . . . 0.0 109.562 162.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.39 -31.64 0.23 Allowed Glycine 0 CA--C 1.55 2.224 0 CA-C-N 111.633 -2.53 . . . . 0.0 115.608 167.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.4 m -119.52 136.31 54.4 Favored 'General case' 0 CA--C 1.602 2.963 0 C-N-CA 131.536 3.934 . . . . 0.0 101.994 -167.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -70.08 74.53 0.48 Allowed 'General case' 0 CA--C 1.597 2.785 0 C-N-CA 127.13 2.172 . . . . 0.0 114.304 163.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -156.0 156.22 34.08 Favored 'General case' 0 CA--C 1.585 2.316 0 CA-C-O 125.721 2.677 . . . . 0.0 108.313 -178.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 10.1 tp -79.15 138.13 37.76 Favored 'General case' 0 CA--C 1.627 3.916 0 CA-C-N 111.52 -2.582 . . . . 0.0 115.615 152.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.423 HG22 ' HB ' ' A' ' 59' ' ' THR 0.433 1.0 OUTLIER -133.71 121.71 41.04 Favored 'Isoleucine or valine' 0 CA--C 1.627 3.941 0 C-N-CA 131.276 3.831 . . . . 0.0 107.039 -177.513 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.4 t -129.65 131.17 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 CA-C-N 111.886 -2.415 . . . . 0.0 105.483 -160.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.28 2.5 p -138.99 104.95 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.318 1 O-C-N 129.804 4.44 . . . . 0.0 115.665 -164.955 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -62.87 148.55 46.84 Favored 'General case' 0 N--CA 1.521 3.124 0 CA-C-O 124.542 2.115 . . . . 0.0 110.172 158.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -144.7 98.11 3.13 Favored 'General case' 0 C--N 1.406 3.06 1 N-CA-C 98.01 -4.811 . . . . 0.0 98.01 -178.041 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.536 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 8.5 t -153.95 151.68 29.7 Favored 'General case' 0 CA--C 1.585 2.308 0 CA-C-O 128.174 3.845 . . . . 0.0 103.456 -172.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.402 ' HB1' ' CD1' ' A' ' 37' ' ' TRP 0.33 . . -77.36 134.26 38.52 Favored 'General case' 0 C--O 1.296 3.506 1 CA-C-N 108.324 -4.035 . . . . 0.0 116.752 160.887 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.3 t -47.87 -40.48 21.7 Favored 'General case' 0 CA--C 1.567 1.625 0 N-CA-C 118.182 2.66 . . . . 0.0 118.182 169.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.402 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 3.1 p-90 -68.64 88.55 0.36 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 127.515 3.009 . . . . 0.0 111.288 152.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.9 t -177.09 96.89 0.23 Allowed Pre-proline 0 C--O 1.182 -2.487 0 O-C-N 117.207 -3.433 . . . . 0.0 106.106 176.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -52.21 -48.79 19.94 Favored 'Trans proline' 0 N--CA 1.505 2.17 1 C-N-CA 126.851 5.034 . . . . 0.0 115.163 168.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.321 24.6 Cg_exo -44.73 -45.34 13.57 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 124.651 3.568 . . . . 0.0 118.204 167.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.468 ' HA ' HG22 ' A' ' 44' ' ' ILE 0.601 78.5 m -69.78 -31.63 69.66 Favored 'General case' 0 C--O 1.205 -1.281 1 N-CA-C 123.402 4.593 . . . . 0.0 123.402 165.587 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -57.43 -45.85 84.2 Favored 'General case' 0 N--CA 1.505 2.314 0 N-CA-C 119.596 3.184 . . . . 0.0 119.596 159.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 15.0 ptm -64.17 -48.23 76.79 Favored 'General case' 0 C--N 1.399 2.747 0 CA-C-N 121.678 2.036 . . . . 0.0 113.371 159.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.468 HG22 ' HA ' ' A' ' 41' ' ' CYS 0.588 1.0 OUTLIER -45.77 -38.37 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.742 1 N-CA-C 123.335 4.569 . . . . 0.0 123.335 169.341 . . . . . . . . 5 4 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.463 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . . . -54.74 -54.54 48.22 Favored Pre-proline 0 CA--C 1.614 3.405 0 CA-C-O 114.036 -2.888 . . . . 0.0 117.87 169.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.463 ' HD3' ' HB3' ' A' ' 45' ' ' ALA . 25.8 Cg_exo -45.96 -44.26 18.96 Favored 'Trans proline' 0 CA--C 1.583 2.949 0 C-N-CA 124.869 3.712 . . . . 0.0 120.543 153.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.308 28.5 mm -52.16 -57.08 4.32 Favored 'Isoleucine or valine' 1 N--CA 1.55 4.556 0 CA-C-N 122.039 2.2 . . . . 0.0 113.81 163.11 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -44.02 -44.56 7.42 Favored 'General case' 0 N--CA 1.519 2.989 0 N-CA-C 118.792 2.886 . . . . 0.0 118.792 171.035 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.16 -45.74 76.14 Favored 'General case' 0 CA--C 1.62 3.648 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 168.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -53.9 -52.62 59.95 Favored 'General case' 0 CA--C 1.599 2.828 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 168.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.374 1.4 tm? -62.91 -36.0 81.93 Favored 'General case' 0 C--O 1.192 -1.965 0 C-N-CA 126.22 1.808 . . . . 0.0 113.3 174.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.26 77.61 Favored 'General case' 0 C--N 1.378 1.816 0 O-C-N 118.703 -2.498 . . . . 0.0 117.071 160.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -60.2 -33.04 71.68 Favored 'General case' 0 CA--C 1.605 3.075 0 CA-C-O 114.268 -2.777 . . . . 0.0 117.676 165.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.26 39.3 ttmt -65.63 -30.96 71.74 Favored 'General case' 0 C--O 1.28 2.698 0 C-N-CA 127.703 2.401 . . . . 0.0 116.958 167.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -140.47 97.56 7.48 Favored Pre-proline 0 CA--C 1.625 3.854 0 C-N-CA 127.385 2.274 . . . . 0.0 107.595 -157.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -85.99 -6.21 8.54 Favored 'Trans proline' 0 N--CA 1.497 1.725 2 C-N-CA 132.313 8.676 . . . . 0.0 129.41 170.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -76.89 11.57 1.7 Allowed 'General case' 0 N--CA 1.514 2.729 1 O-C-N 116.027 -4.17 . . . . 0.0 117.187 164.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 28' ' ' LEU 0.373 3.4 p -149.16 99.78 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.627 3.929 0 CA-C-O 117.112 -1.423 . . . . 0.0 107.961 -151.567 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.423 ' HB ' HG22 ' A' ' 29' ' ' ILE . 48.3 m -61.17 151.77 30.46 Favored 'General case' 0 N--CA 1.533 3.691 0 CA-C-O 125.618 2.628 . . . . 0.0 113.004 160.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -138.87 144.03 39.0 Favored 'General case' 0 C--O 1.201 -1.478 0 C-N-CA 127.126 2.171 . . . . 0.0 111.01 -172.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.466 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.306 1.5 pp -155.08 164.86 38.27 Favored 'General case' 0 CA--C 1.628 3.951 0 CA-C-O 124.834 2.254 . . . . 0.0 108.555 -174.476 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.334 10.3 ptmm? -152.91 107.61 3.18 Favored 'General case' 0 CA--C 1.617 3.537 0 CA-C-N 110.617 -2.992 . . . . 0.0 116.892 -168.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.0 t -92.24 119.55 39.93 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.049 0 C-N-CA 130.806 3.642 . . . . 0.0 106.299 -169.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -69.58 105.51 2.69 Favored 'General case' 0 C--O 1.196 -1.719 0 N-CA-C 103.021 -2.955 . . . . 0.0 103.021 163.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.423 HG11 ' SD ' ' A' ' 80' ' ' MET 0.399 1.1 p -52.47 -39.32 28.65 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.265 0 N-CA-C 120.191 3.404 . . . . 0.0 120.191 178.081 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.34 21.5 m-20 -51.6 -54.66 25.39 Favored 'General case' 0 N--CA 1.536 3.831 0 CA-C-N 112.665 -2.061 . . . . 0.0 111.377 175.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -52.58 -26.74 14.23 Favored 'General case' 0 C--O 1.284 2.912 0 N-CA-C 119.414 3.116 . . . . 0.0 119.414 159.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.3 mt -159.02 53.73 0.41 Allowed 'General case' 0 N--CA 1.507 2.417 0 CA-C-N 125.286 3.675 . . . . 0.0 107.867 -160.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -69.4 -50.22 48.05 Favored 'General case' 0 C--N 1.386 2.194 0 CA-C-N 111.172 -2.74 . . . . 0.0 117.477 171.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.2 -60.27 3.41 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 117.077 -3.514 . . . . 0.0 119.296 174.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.2 p -50.2 -51.19 18.39 Favored 'Isoleucine or valine' 0 C--O 1.295 3.46 0 N-CA-C 117.936 2.569 . . . . 0.0 117.936 164.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.79 -59.27 2.61 Favored 'General case' 0 C--N 1.389 2.324 0 CA-C-O 115.588 -2.149 . . . . 0.0 112.615 171.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -53.71 -46.08 70.64 Favored 'General case' 0 CA--C 1.597 2.772 1 CA-C-O 109.373 -5.108 . . . . 0.0 112.014 173.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.524 0.0 OUTLIER -51.65 -51.23 57.47 Favored 'General case' 0 C--O 1.205 -1.243 1 N-CA-C 124.055 4.835 . . . . 0.0 124.055 171.947 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.321 31.7 m95 -50.95 -53.22 34.83 Favored 'General case' 0 N--CA 1.527 3.38 0 CA-C-O 112.553 -3.594 . . . . 0.0 116.113 162.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 149.69 82.04 0.0 OUTLIER 'General case' 0 CA--C 1.579 2.064 1 O-C-N 130.31 4.756 . . . . 0.0 105.623 150.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . 0.263 61.6 t -130.2 78.72 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 126.521 2.388 . . . . 0.0 109.479 -174.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.312 8.4 pt-20 -71.85 -12.42 61.27 Favored 'General case' 0 N--CA 1.516 2.86 0 N-CA-C 120.942 3.682 . . . . 0.0 120.942 158.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.26 145.49 26.23 Favored 'General case' 0 CA--C 1.576 1.969 0 CA-C-N 114.492 -1.231 . . . . 0.0 113.98 -163.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.536 ' SD ' ' HA ' ' A' ' 34' ' ' THR 0.398 12.2 mmt -73.78 121.96 86.44 Favored Pre-proline 0 C--O 1.305 3.993 0 CA-C-O 113.071 -3.347 . . . . 0.0 105.017 167.742 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.302 67.6 Cg_endo -151.97 150.9 0.0 OUTLIER 'Cis proline' 0 CA--C 1.603 3.971 1 CA-C-O 131.488 4.704 . . . . 0.0 118.619 -17.846 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.9 m -120.43 130.64 54.42 Favored 'General case' 0 CA--C 1.621 3.69 1 CA-C-O 130.591 4.996 . . . . 0.0 105.118 -137.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -119.49 109.67 16.0 Favored 'General case' 0 CA--C 1.61 3.264 0 C-N-CA 130.601 3.56 . . . . 0.0 105.151 -174.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.372 2.7 mt -106.31 137.7 35.41 Favored 'Isoleucine or valine' 1 CA--C 1.64 4.439 0 CA-C-N 109.646 -3.434 . . . . 0.0 106.452 -172.323 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -130.7 105.8 8.05 Favored 'General case' 0 CA--C 1.581 2.162 0 N-CA-C 101.99 -3.337 . . . . 0.0 101.99 -158.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.77 128.18 24.44 Favored 'General case' 0 CA--C 1.571 1.754 0 O-C-N 118.471 -2.643 . . . . 0.0 104.684 -167.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -127.4 175.32 8.3 Favored 'General case' 0 C--N 1.293 -1.854 1 C-N-CA 133.144 4.577 . . . . 0.0 115.624 -172.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -53.56 55.53 0.0 OUTLIER 'General case' 1 N--CA 1.561 5.091 0 O-C-N 120.04 -1.663 . . . . 0.0 114.211 150.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.85 22.95 0.06 OUTLIER Glycine 1 CA--C 1.601 5.435 0 CA-C-O 116.124 -2.486 . . . . 0.0 111.186 177.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.418 ' HG2' ' H ' ' A' ' 91' ' ' LEU 0.556 12.4 ttmt 65.7 -167.15 0.22 Allowed 'General case' 0 CA--C 1.592 2.567 0 CA-C-N 122.269 3.034 . . . . 0.0 117.146 -160.587 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.418 ' H ' ' HG2' ' A' ' 90' ' ' LYS . 55.6 tp -59.44 101.37 0.1 Allowed 'General case' 0 C--O 1.295 3.486 0 CA-C-O 126.618 3.104 . . . . 0.0 113.051 172.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.384 11.1 m -74.96 -40.23 45.31 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.289 0 N-CA-C 119.801 3.26 . . . . 0.0 119.801 171.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -165.33 171.13 13.86 Favored 'General case' 0 CA--C 1.615 3.476 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -171.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.96 137.69 12.15 Favored 'General case' 0 C--N 1.368 1.391 0 CA-C-N 113.742 -1.572 . . . . 0.0 109.69 -173.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.3 m -166.98 141.68 3.99 Favored 'General case' 0 C--O 1.262 1.73 0 N-CA-C 100.629 -3.841 . . . . 0.0 100.629 177.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.33 96.37 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.169 1 CA-C-N 108.121 -4.127 . . . . 0.0 109.534 -171.026 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.37 106.99 0.19 Allowed Glycine 0 CA--C 1.552 2.384 0 CA-C-N 111.097 -2.774 . . . . 0.0 116.347 171.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.27 120.1 10.92 Favored 'General case' 0 N--CA 1.505 2.281 0 C-N-CA 125.47 1.508 . . . . 0.0 113.41 168.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -164.06 125.95 2.35 Favored 'General case' 0 C--N 1.394 2.535 0 N-CA-C 103.497 -2.779 . . . . 0.0 103.497 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.368 57.3 pttt -43.41 -51.11 6.7 Favored 'General case' 0 CA--C 1.596 2.738 1 N-CA-C 122.06 4.096 . . . . 0.0 122.06 -179.357 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.366 2.3 p30 -74.9 -51.92 12.59 Favored 'General case' 0 C--O 1.271 2.228 0 C-N-CA 127.324 2.25 . . . . 0.0 116.404 173.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -51.07 -48.7 45.55 Favored Glycine 0 C--N 1.365 2.162 0 N-CA-C 118.532 2.173 . . . . 0.0 118.532 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.288 44.9 tp -54.82 -53.16 63.93 Favored Pre-proline 0 CA--C 1.607 3.137 0 C-N-CA 126.364 1.866 . . . . 0.0 114.936 175.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -45.48 -51.18 8.32 Favored 'Trans proline' 0 C--N 1.413 3.971 0 N-CA-C 120.516 3.237 . . . . 0.0 120.516 157.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.255 90.5 m -50.19 -50.93 47.8 Favored 'General case' 0 CA--C 1.622 3.744 0 CA-C-O 113.66 -3.067 . . . . 0.0 117.64 164.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.255 41.4 tp -52.55 -60.83 2.76 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 117.618 2.451 . . . . 0.0 117.618 168.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.3 t -49.7 -50.52 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.274 0 N-CA-C 121.252 3.797 . . . . 0.0 121.252 167.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.84 -53.4 32.56 Favored 'General case' 0 C--O 1.195 -1.812 0 O-C-N 118.826 -2.421 . . . . 0.0 114.23 168.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -47.33 -48.87 25.16 Favored 'General case' 0 C--N 1.408 3.124 0 O-C-N 119.537 -1.977 . . . . 0.0 113.016 162.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.513 16.1 m-70 -56.97 -64.16 0.97 Allowed 'General case' 0 C--N 1.382 2.009 0 N-CA-C 119.585 3.18 . . . . 0.0 119.585 174.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.64 -41.05 61.04 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 128.848 3.842 . . . . 0.0 118.818 169.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.0 m -55.35 -55.05 36.0 Favored 'General case' 0 N--CA 1.523 3.219 0 CA-C-O 114.364 -2.731 . . . . 0.0 112.131 165.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 125.91 2.767 . . . . 0.0 118.327 166.825 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.358 0 CA-C-O 121.843 0.83 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -155.97 140.6 16.95 Favored 'General case' 0 C--O 1.242 0.689 0 O-C-N 128.187 3.429 . . . . 0.0 110.592 -177.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -161.8 162.41 29.48 Favored 'General case' 0 N--CA 1.5 2.031 1 CA-C-O 129.249 4.357 . . . . 0.0 112.221 -171.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.91 165.22 53.1 Favored Glycine 0 N--CA 1.48 1.624 0 CA-C-N 110.521 -3.036 . . . . 0.0 108.864 164.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -145.61 110.89 5.31 Favored 'General case' 0 CA--C 1.589 2.442 0 CA-C-N 110.308 -2.946 . . . . 0.0 105.748 -161.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.3 t -83.72 131.3 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 C-N-CA 127.533 2.333 . . . . 0.0 111.13 167.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.45 117.32 27.33 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.807 0 N-CA-C 102.619 -3.104 . . . . 0.0 102.619 -170.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.28 137.9 57.85 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 118.722 -2.486 . . . . 0.0 113.936 165.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.477 ' SG ' HD13 ' A' ' 61' ' ' LEU . 82.4 m -141.36 147.31 37.86 Favored 'General case' 0 C--O 1.188 -2.182 0 C-N-CA 129.336 3.054 . . . . 0.0 108.666 -160.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -147.37 -52.2 0.2 Allowed 'General case' 0 N--CA 1.519 3.025 0 O-C-N 120.176 -1.577 . . . . 0.0 112.398 -155.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 p -137.53 -166.41 1.94 Allowed 'General case' 0 CA--C 1.591 2.544 0 C-N-CA 127.535 2.334 . . . . 0.0 111.278 -155.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 p -54.65 -20.07 4.86 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.979 0 N-CA-C 118.33 2.715 . . . . 0.0 118.33 160.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -56.22 -39.37 72.37 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 117.719 -3.113 . . . . 0.0 118.436 164.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.397 0.6 OUTLIER -60.2 -39.4 86.42 Favored 'General case' 0 CA--C 1.579 2.067 0 N-CA-C 118.497 2.777 . . . . 0.0 118.497 158.493 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -50.94 -41.64 59.19 Favored 'General case' 0 CA--C 1.577 2.017 0 O-C-N 128.003 3.314 . . . . 0.0 116.218 171.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -64.49 -40.86 96.46 Favored 'General case' 0 CA--C 1.582 2.196 1 N-CA-C 122.136 4.125 . . . . 0.0 122.136 160.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -58.27 -58.85 6.68 Favored 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 116.786 2.143 . . . . 0.0 116.786 169.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -58.37 -59.64 5.03 Favored 'General case' 0 C--O 1.201 -1.489 1 C-N-CA 131.845 4.058 . . . . 0.0 116.119 -177.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.383 85.8 t80 -57.48 -55.86 29.36 Favored 'General case' 0 N--CA 1.522 3.148 0 N-CA-C 120.347 3.462 . . . . 0.0 120.347 172.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -56.94 -53.69 55.13 Favored 'General case' 0 N--CA 1.514 2.753 0 O-C-N 126.348 2.28 . . . . 0.0 114.135 171.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.277 27.1 mmtp -54.44 -62.25 1.78 Allowed 'General case' 0 N--CA 1.51 2.556 0 CA-C-N 123.051 2.66 . . . . 0.0 112.6 167.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -37.59 -95.99 0.01 OUTLIER Glycine 1 CA--C 1.587 4.58 0 C-N-CA 128.603 3.002 . . . . 0.0 113.129 176.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -74.84 99.18 3.7 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 123.445 1.593 . . . . 0.0 109.173 162.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.65 -26.54 0.46 Allowed Glycine 1 CA--C 1.584 4.371 0 CA-C-O 126.159 3.088 . . . . 0.0 116.801 159.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.6 m -123.31 118.33 27.3 Favored 'General case' 0 CA--C 1.571 1.784 0 C-N-CA 131.623 3.969 . . . . 0.0 107.517 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.264 1.8 mp0 -59.16 70.31 0.01 OUTLIER 'General case' 1 N--CA 1.539 4.001 0 CA-C-N 110.073 -3.24 . . . . 0.0 113.779 176.069 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -158.26 155.95 29.82 Favored 'General case' 0 C--N 1.29 -2.02 0 CA-C-O 125.135 2.398 . . . . 0.0 105.073 -177.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 tp -71.35 150.57 44.96 Favored 'General case' 0 C--O 1.197 -1.682 0 C-N-CA 126.767 2.027 . . . . 0.0 110.579 154.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.251 1.4 pt -142.08 132.47 24.69 Favored 'Isoleucine or valine' 0 C--O 1.265 1.912 0 N-CA-C 101.216 -3.624 . . . . 0.0 101.216 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -138.28 129.7 37.42 Favored 'Isoleucine or valine' 1 N--CA 1.54 4.038 0 O-C-N 117.891 -3.006 . . . . 0.0 102.937 -167.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.335 2.6 p -140.84 111.55 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.166 0 CA-C-O 125.221 2.438 . . . . 0.0 110.138 -159.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -76.47 108.16 9.25 Favored 'General case' 0 N--CA 1.499 2.003 0 C-N-CA 128.911 2.885 . . . . 0.0 111.464 167.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -87.31 114.01 23.54 Favored 'General case' 0 N--CA 1.509 2.489 0 O-C-N 125.827 1.954 . . . . 0.0 108.961 156.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.693 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 11.4 t -153.79 155.27 35.53 Favored 'General case' 0 CA--C 1.56 1.359 0 CA-C-N 111.514 -2.585 . . . . 0.0 104.371 -175.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.07 146.53 25.45 Favored 'General case' 0 C--N 1.251 -3.693 0 C-N-CA 129.825 3.25 . . . . 0.0 108.788 173.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -42.41 -46.32 4.66 Favored 'General case' 1 N--CA 1.573 5.712 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 171.13 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 -72.3 89.4 1.21 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.705 2.002 . . . . 0.0 113.125 166.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.8 t -165.68 82.01 1.1 Allowed Pre-proline 0 N--CA 1.488 1.474 0 C-N-CA 128.243 2.617 . . . . 0.0 109.1 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -53.62 -42.69 63.95 Favored 'Trans proline' 0 CA--C 1.554 1.485 0 C-N-CA 123.735 2.957 . . . . 0.0 118.922 167.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -51.24 -58.88 1.38 Allowed 'Trans proline' 1 C--N 1.416 4.131 0 C-N-CA 125.26 3.973 . . . . 0.0 112.194 163.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.299 62.8 m -55.46 -21.86 18.07 Favored 'General case' 0 C--O 1.272 2.251 0 N-CA-C 120.989 3.7 . . . . 0.0 120.989 162.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -53.81 -56.62 15.93 Favored 'General case' 0 CA--C 1.564 1.497 0 O-C-N 116.833 -3.667 . . . . 0.0 111.048 162.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.374 2.1 ptt? -64.03 -40.65 96.79 Favored 'General case' 0 N--CA 1.535 3.78 0 N-CA-C 118.59 2.811 . . . . 0.0 118.59 161.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.344 1.0 OUTLIER -56.9 -35.53 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.697 0 O-C-N 117.655 -3.153 . . . . 0.0 116.36 169.336 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.394 . . -50.33 -57.31 13.35 Favored Pre-proline 0 C--N 1.383 2.035 0 O-C-N 119.282 -2.137 . . . . 0.0 115.569 166.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -49.16 -43.76 35.69 Favored 'Trans proline' 1 CA--C 1.62 4.814 0 C-N-CA 124.508 3.472 . . . . 0.0 117.437 162.256 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.361 30.3 mm -50.16 -64.04 0.35 Allowed 'Isoleucine or valine' 1 N--CA 1.543 4.187 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 162.695 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.285 3.1 t80 -41.81 -49.65 4.39 Favored 'General case' 0 CA--C 1.57 1.718 0 CA-C-O 112.455 -3.64 . . . . 0.0 116.784 169.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.72 -52.17 63.3 Favored 'General case' 0 CA--C 1.565 1.522 1 N-CA-C 123.957 4.799 . . . . 0.0 123.957 160.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.384 15.1 tt0 -50.89 -56.34 12.73 Favored 'General case' 1 N--CA 1.545 4.279 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 171.269 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.257 1.9 tm? -54.86 -42.26 71.79 Favored 'General case' 0 CA--C 1.585 2.321 0 N-CA-C 118.233 2.679 . . . . 0.0 118.233 169.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.7 -53.19 19.82 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 118.472 -2.643 . . . . 0.0 112.686 161.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -55.13 -38.26 67.97 Favored 'General case' 0 N--CA 1.529 3.517 0 N-CA-C 120.812 3.634 . . . . 0.0 120.812 169.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.299 36.7 ttmt -61.83 -35.12 77.31 Favored 'General case' 0 CA--C 1.616 3.51 0 N-CA-C 116.693 2.109 . . . . 0.0 116.693 173.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -128.46 100.77 22.05 Favored Pre-proline 0 CA--C 1.6 2.89 0 C-N-CA 127.248 2.219 . . . . 0.0 106.928 -158.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.255 25.0 Cg_endo -65.95 -26.4 51.41 Favored 'Trans proline' 1 CA--C 1.67 7.313 2 C-N-CA 129.729 6.952 . . . . 0.0 126.358 171.126 . . . . . . . . 4 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -74.38 2.56 9.12 Favored 'General case' 0 CA--C 1.609 3.237 0 C-N-CA 128.09 2.556 . . . . 0.0 116.966 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.5 p -147.18 115.34 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.612 3.335 0 CA-C-O 124.325 2.012 . . . . 0.0 109.108 -157.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.2 m -73.28 156.05 38.86 Favored 'General case' 0 CA--C 1.581 2.155 0 CA-C-O 124.594 2.14 . . . . 0.0 112.987 164.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -145.79 130.13 17.69 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-O 124.165 1.936 . . . . 0.0 110.909 -168.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.477 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.426 0.4 OUTLIER -148.03 144.97 28.28 Favored 'General case' 1 N--CA 1.555 4.802 0 CA-C-O 126.556 3.074 . . . . 0.0 109.932 -170.187 . . . . . . . . 5 4 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.272 10.9 ptmm? -145.27 119.87 9.77 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 126.546 3.07 . . . . 0.0 110.284 -162.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.7 t -122.15 121.12 63.17 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.429 0 C-N-CA 129.821 3.248 . . . . 0.0 113.189 -160.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -59.48 101.69 0.11 Allowed 'General case' 0 C--N 1.363 1.193 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.009 156.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.441 HG11 ' SD ' ' A' ' 80' ' ' MET 0.271 1.4 p -59.79 -36.23 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.091 0 C-N-CA 131.167 3.787 . . . . 0.0 117.518 170.461 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.341 2.4 m-20 -46.72 -47.11 20.6 Favored 'General case' 0 CA--C 1.586 2.352 1 O-C-N 115.935 -4.228 . . . . 0.0 119.28 163.61 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.37 -22.84 65.55 Favored 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 118.949 2.944 . . . . 0.0 118.949 169.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.9 mt -149.3 56.58 1.0 Allowed 'General case' 0 N--CA 1.488 1.438 0 O-C-N 118.452 -2.655 . . . . 0.0 113.268 -168.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.328 2.4 ptpt -81.05 -50.74 9.29 Favored 'General case' 0 CA--C 1.615 3.471 0 C-N-CA 127.991 2.516 . . . . 0.0 111.605 176.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.271 . . -48.83 -51.33 30.1 Favored 'General case' 0 N--CA 1.513 2.721 0 N-CA-C 118.496 2.776 . . . . 0.0 118.496 175.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.407 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 8.2 p -66.82 -43.69 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.5 0 CA-C-O 115.134 -2.365 . . . . 0.0 115.182 167.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.38 -56.48 4.19 Favored 'General case' 0 C--O 1.271 2.21 0 CA-C-N 125.441 3.746 . . . . 0.0 116.081 169.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -50.38 -57.31 8.25 Favored 'General case' 0 CA--C 1.575 1.927 0 CA-C-N 110.334 -3.121 . . . . 0.0 110.017 173.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.407 ' HG2' ' HA ' ' A' ' 71' ' ' VAL 0.387 0.1 OUTLIER -44.25 -50.13 9.0 Favored 'General case' 0 C--O 1.275 2.426 0 O-C-N 128.526 3.641 . . . . 0.0 119.178 176.521 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -67.31 -31.83 72.4 Favored 'General case' 0 N--CA 1.499 1.989 1 N-CA-C 123.502 4.63 . . . . 0.0 123.502 166.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.598 10.4 t-20 146.84 78.58 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.911 0 CA-C-O 122.935 1.35 . . . . 0.0 112.886 149.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.2 t -149.19 112.93 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.518 2.939 0 O-C-N 118.538 -2.602 . . . . 0.0 109.133 -163.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -104.04 -24.01 13.26 Favored 'General case' 0 CA--C 1.614 3.43 0 CA-C-N 110.958 -2.837 . . . . 0.0 108.968 169.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -151.89 148.35 27.68 Favored 'General case' 0 C--N 1.407 3.107 0 CA-C-N 123.525 2.875 . . . . 0.0 103.48 -154.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.693 ' SD ' ' HA ' ' A' ' 34' ' ' THR . 33.8 mmt -73.66 131.48 82.08 Favored Pre-proline 0 CA--C 1.595 2.689 0 CA-C-O 114.692 -2.575 . . . . 0.0 109.621 166.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -142.97 144.64 0.0 OUTLIER 'Cis proline' 0 C--O 1.194 -1.701 1 N-CA-C 124.986 4.956 . . . . 0.0 124.986 -18.901 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -122.52 129.82 52.38 Favored 'General case' 1 N--CA 1.54 4.072 1 CA-C-N 107.107 -4.588 . . . . 0.0 110.034 -136.911 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -119.71 122.38 41.32 Favored 'General case' 1 N--CA 1.567 5.418 1 N-CA-C 93.598 -6.445 . . . . 0.0 93.598 -167.911 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.54 137.21 55.95 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.955 1 CA-C-N 107.537 -4.392 . . . . 0.0 102.226 -178.544 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -126.04 101.07 6.62 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 101.976 -3.342 . . . . 0.0 101.976 -158.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.19 122.19 29.24 Favored 'General case' 0 CA--C 1.607 3.15 0 N-CA-C 100.911 -3.736 . . . . 0.0 100.911 -172.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.32 31.9 tttp -110.54 -176.21 2.92 Favored 'General case' 0 CA--C 1.623 3.753 0 CA-C-O 124.854 2.264 . . . . 0.0 105.402 178.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -64.64 58.21 0.02 OUTLIER 'General case' 0 CA--C 1.578 2.028 0 CA-C-N 110.71 -2.95 . . . . 0.0 115.501 152.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.02 38.5 0.13 Allowed Glycine 0 C--N 1.381 3.052 0 O-C-N 117.216 -3.427 . . . . 0.0 108.288 175.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.444 3.6 ttmt 48.69 -162.55 0.03 OUTLIER 'General case' 0 N--CA 1.525 3.3 1 N-CA-C 122.129 4.122 . . . . 0.0 122.129 -159.566 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.6 tp -60.25 99.08 0.07 Allowed 'General case' 0 N--CA 1.505 2.322 0 C-N-CA 131.144 3.778 . . . . 0.0 108.525 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.36 16.0 m -76.9 -50.97 19.88 Favored 'Isoleucine or valine' 1 N--CA 1.544 4.245 1 CA-C-O 109.652 -4.975 . . . . 0.0 110.807 168.586 . . . . . . . . 4 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.08 167.48 4.92 Favored 'General case' 0 CA--C 1.628 3.98 1 CA-C-N 127.982 4.901 . . . . 0.0 112.692 -175.123 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.89 151.94 36.74 Favored 'General case' 0 N--CA 1.513 2.707 1 CA-C-O 129.461 4.458 . . . . 0.0 111.431 -172.41 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.1 m -158.17 98.3 1.57 Allowed 'General case' 0 C--O 1.257 1.497 0 O-C-N 118.404 -2.685 . . . . 0.0 107.163 -175.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.73 99.86 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.628 3.966 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 163.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 164.34 99.24 0.14 Allowed Glycine 0 CA--C 1.561 2.907 0 CA-C-O 114.153 -3.582 . . . . 0.0 112.981 164.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -50.75 115.63 1.59 Allowed 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 127.895 2.478 . . . . 0.0 117.443 165.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -160.5 114.98 2.19 Favored 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 104.987 -2.227 . . . . 0.0 104.987 -171.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -48.57 -45.1 37.29 Favored 'General case' 0 C--N 1.291 -1.978 1 N-CA-C 122.104 4.113 . . . . 0.0 122.104 -174.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.338 3.1 p-10 -79.18 -49.27 12.82 Favored 'General case' 0 CA--C 1.612 3.363 0 C-N-CA 126.777 2.031 . . . . 0.0 110.414 167.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -45.95 -57.01 6.4 Favored Glycine 0 N--CA 1.508 3.456 1 N-CA-C 124.634 4.614 . . . . 0.0 124.634 175.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.256 52.7 tp -50.74 -55.85 23.74 Favored Pre-proline 0 CA--C 1.57 1.713 0 N-CA-C 119.625 3.194 . . . . 0.0 119.625 168.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.3 -28.33 52.3 Favored 'Trans proline' 0 CA--C 1.569 2.269 1 C-N-CA 125.563 4.175 . . . . 0.0 122.216 162.287 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 61.9 m -53.57 -57.69 9.82 Favored 'General case' 0 N--CA 1.519 3.011 0 C-N-CA 125.875 1.67 . . . . 0.0 114.717 161.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.405 54.4 tp -57.11 -46.76 82.34 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 120.922 3.675 . . . . 0.0 120.922 173.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 39.2 t -59.68 -42.64 89.2 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.484 0 N-CA-C 116.786 2.143 . . . . 0.0 116.786 163.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.87 -53.31 59.4 Favored 'General case' 0 N--CA 1.523 3.187 0 C-N-CA 128.412 2.685 . . . . 0.0 113.221 173.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -53.94 -49.61 68.31 Favored 'General case' 0 N--CA 1.482 1.137 1 N-CA-C 122.009 4.077 . . . . 0.0 122.009 164.125 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -55.84 -52.98 62.14 Favored 'General case' 0 C--N 1.403 2.894 0 N-CA-C 118.295 2.702 . . . . 0.0 118.295 161.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -45.72 -49.01 15.16 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 126.386 2.304 . . . . 0.0 116.125 172.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 29.5 m -55.06 -64.78 0.73 Allowed 'General case' 0 C--O 1.249 1.037 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 170.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 121.006 3.706 . . . . 0.0 121.006 174.983 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 124.004 1.859 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -170.17 135.26 1.3 Allowed 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 113.193 -1.821 . . . . 0.0 108.95 177.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.369 6.9 pt-20 -161.56 168.7 23.07 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-O 124.998 2.333 . . . . 0.0 109.374 -175.368 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.1 170.62 19.7 Favored Glycine 0 N--CA 1.506 3.316 0 CA-C-N 113.34 -1.754 . . . . 0.0 114.205 165.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -152.43 113.14 4.14 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 103.827 -2.657 . . . . 0.0 103.827 -172.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.1 t -77.06 131.62 34.44 Favored 'Isoleucine or valine' 0 CA--C 1.627 3.904 0 C-N-CA 127.431 2.292 . . . . 0.0 105.901 166.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.363 0.3 OUTLIER -130.51 131.7 64.95 Favored 'Isoleucine or valine' 0 C--N 1.368 1.405 0 C-N-CA 128.075 2.55 . . . . 0.0 108.835 -178.167 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.58 142.51 57.46 Favored 'General case' 0 CA--C 1.574 1.903 0 CA-C-O 124.906 2.289 . . . . 0.0 115.285 163.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.433 ' SG ' HD13 ' A' ' 61' ' ' LEU . 89.3 m -148.23 134.41 19.37 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 117.792 -3.068 . . . . 0.0 111.399 -170.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . 0.391 30.9 m80 -134.11 -38.21 0.87 Allowed 'General case' 0 CA--C 1.605 3.076 0 CA-C-N 110.797 -2.91 . . . . 0.0 117.517 -155.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.7 p -144.98 -170.51 3.43 Favored 'General case' 0 C--O 1.193 -1.912 0 CA-C-O 125.741 2.686 . . . . 0.0 111.412 -158.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 p -53.95 -19.76 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.34 0 N-CA-C 119.726 3.232 . . . . 0.0 119.726 157.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.91 -43.87 63.58 Favored 'General case' 0 C--N 1.403 2.911 0 O-C-N 117.8 -3.062 . . . . 0.0 115.096 162.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.404 0.6 OUTLIER -56.96 -38.23 72.67 Favored 'General case' 0 N--CA 1.523 3.216 0 C-N-CA 125.183 1.393 . . . . 0.0 114.541 170.166 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -51.79 -46.9 64.38 Favored 'General case' 0 N--CA 1.523 3.176 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 164.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -51.71 -62.19 1.78 Allowed 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 159.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -52.79 -63.03 1.28 Allowed 'General case' 0 N--CA 1.52 3.041 0 N-CA-C 118.374 2.731 . . . . 0.0 118.374 174.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -53.41 -62.59 1.55 Allowed 'General case' 1 N--CA 1.549 4.493 0 C-N-CA 128.408 2.683 . . . . 0.0 113.444 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.6 1.1 t80 -59.05 -60.33 4.04 Favored 'General case' 0 C--N 1.287 -2.125 0 C-N-CA 128.237 2.615 . . . . 0.0 113.826 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.362 13.3 mm-40 -51.04 -59.99 3.57 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 176.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -52.76 -63.04 1.28 Allowed 'General case' 0 N--CA 1.506 2.335 0 O-C-N 118.024 -2.923 . . . . 0.0 112.479 166.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -35.8 -84.77 0.01 OUTLIER Glycine 0 CA--C 1.565 3.166 0 N-CA-C 120.14 2.816 . . . . 0.0 120.14 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -79.33 107.91 12.44 Favored 'General case' 0 CA--C 1.576 1.953 0 CA-C-O 127.084 3.326 . . . . 0.0 108.71 151.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.46 -38.78 0.36 Allowed Glycine 1 CA--C 1.618 6.521 0 CA-C-N 110.531 -3.031 . . . . 0.0 115.355 168.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.7 m -126.3 128.77 47.65 Favored 'General case' 0 C--O 1.267 1.983 0 O-C-N 127.922 2.778 . . . . 0.0 105.939 -166.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -62.77 77.51 0.02 OUTLIER 'General case' 0 CA--C 1.58 2.114 0 CA-C-O 128.081 3.801 . . . . 0.0 118.035 165.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -162.08 176.99 10.13 Favored 'General case' 0 CA--C 1.588 2.409 1 CA-C-N 108.138 -4.119 . . . . 0.0 112.081 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.9 tp -110.65 151.12 28.06 Favored 'General case' 0 C--O 1.264 1.863 0 C-N-CA 130.198 3.399 . . . . 0.0 107.234 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.299 1.7 pt -151.15 134.02 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 129.292 3.037 . . . . 0.0 107.212 -175.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.7 t -132.26 136.76 55.87 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.28 0 O-C-N 127.881 3.238 . . . . 0.0 103.488 -161.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.44 3.3 p -152.47 106.74 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 117.106 -3.496 . . . . 0.0 112.38 -161.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -65.14 126.78 29.18 Favored 'General case' 0 N--CA 1.406 -2.667 0 CA-C-O 125.205 2.431 . . . . 0.0 113.304 161.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -110.99 111.43 22.54 Favored 'General case' 0 CA--C 1.577 2.009 0 N-CA-C 100.831 -3.766 . . . . 0.0 100.831 169.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.8 t -157.84 145.19 18.3 Favored 'General case' 0 CA--C 1.608 3.181 0 CA-C-O 125.019 2.343 . . . . 0.0 107.334 -172.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.35 130.4 35.15 Favored 'General case' 0 C--N 1.262 -3.236 0 CA-C-N 108.885 -3.78 . . . . 0.0 106.28 174.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.6 t -46.93 -42.24 17.37 Favored 'General case' 0 CA--C 1.587 2.381 0 C-N-CA 125.64 1.576 . . . . 0.0 114.584 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -70.96 88.73 0.76 Allowed 'General case' 0 C--O 1.276 2.464 0 C-N-CA 128.68 2.792 . . . . 0.0 109.173 160.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.8 t -171.44 91.89 0.44 Allowed Pre-proline 0 CA--C 1.595 2.684 0 CA-C-N 110.121 -3.218 . . . . 0.0 109.464 174.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -52.54 -40.24 72.85 Favored 'Trans proline' 1 CA--C 1.604 4.012 0 N-CA-C 118.761 2.562 . . . . 0.0 118.761 158.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.308 34.4 Cg_exo -42.38 -61.45 0.53 Allowed 'Trans proline' 0 C--N 1.399 3.23 0 C-N-CA 124.833 3.689 . . . . 0.0 120.349 160.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.506 ' HA ' HG22 ' A' ' 44' ' ' ILE 0.415 76.3 m -58.66 -38.83 78.99 Favored 'General case' 0 C--N 1.362 1.143 1 N-CA-C 122.253 4.168 . . . . 0.0 122.253 161.611 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -43.78 -43.16 5.97 Favored 'General case' 0 CA--C 1.604 3.032 0 N-CA-C 118.675 2.843 . . . . 0.0 118.675 166.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.331 21.5 ptt? -70.15 -41.55 73.7 Favored 'General case' 0 CA--C 1.578 2.027 0 C-N-CA 125.248 1.419 . . . . 0.0 113.435 166.004 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.506 HG22 ' HA ' ' A' ' 41' ' ' CYS 0.397 1.1 tp -52.97 -39.9 34.46 Favored 'Isoleucine or valine' 0 C--O 1.266 1.972 0 O-C-N 117.947 -2.97 . . . . 0.0 117.165 168.242 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.473 . . -44.53 -59.1 4.29 Favored Pre-proline 1 CA--C 1.649 4.757 0 O-C-N 118.367 -2.708 . . . . 0.0 113.109 166.043 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -54.15 -38.52 87.73 Favored 'Trans proline' 0 CA--C 1.576 2.59 0 N-CA-C 120.536 3.245 . . . . 0.0 120.536 159.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.548 HG21 ' HA ' ' A' ' 100' ' ' LYS 0.622 29.8 mm -55.55 -53.72 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 118.532 -2.605 . . . . 0.0 116.945 165.362 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.291 8.3 t80 -54.01 -51.03 65.25 Favored 'General case' 0 N--CA 1.51 2.53 0 C-N-CA 126.848 2.059 . . . . 0.0 112.369 171.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.267 . . -51.09 -52.32 44.74 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 121.249 3.796 . . . . 0.0 121.249 168.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -52.93 -54.67 31.47 Favored 'General case' 0 CA--C 1.591 2.533 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 169.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.493 HD11 HG21 ' A' ' 107' ' ' VAL . 0.5 OUTLIER -53.4 -44.99 69.14 Favored 'General case' 0 CA--C 1.597 2.785 0 C-N-CA 126.506 1.922 . . . . 0.0 115.999 170.805 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.52 -37.41 49.14 Favored 'General case' 0 CA--C 1.562 1.43 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 165.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . 0.277 94.0 mttt -61.57 -46.91 87.88 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 117.597 2.443 . . . . 0.0 117.597 164.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -53.53 -37.28 62.67 Favored 'General case' 0 CA--C 1.599 2.851 0 N-CA-C 119.656 3.206 . . . . 0.0 119.656 171.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -129.89 104.17 17.08 Favored Pre-proline 0 CA--C 1.577 1.992 0 C-N-CA 129.252 3.021 . . . . 0.0 108.533 -153.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.453 12.3 Cg_endo -71.51 -39.84 3.38 Favored 'Trans proline' 0 CA--C 1.581 2.845 2 C-N-CA 130.646 7.564 . . . . 0.0 126.587 171.792 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.282 10.3 p30 -63.89 10.5 0.05 Allowed 'General case' 0 N--CA 1.527 3.406 0 N-CA-C 118.61 2.818 . . . . 0.0 118.61 174.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.354 4.3 p -148.27 113.06 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.589 2.447 0 C-N-CA 123.564 0.746 . . . . 0.0 110.19 -158.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.1 m -73.63 153.6 40.09 Favored 'General case' 0 C--N 1.379 1.884 0 CA-C-O 128.474 3.988 . . . . 0.0 106.879 161.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -139.84 136.55 34.12 Favored 'General case' 0 N--CA 1.515 2.818 1 CA-C-O 129.164 4.316 . . . . 0.0 104.731 -175.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.433 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.395 0.5 OUTLIER -152.5 157.64 41.42 Favored 'General case' 0 CA--C 1.598 2.805 0 CA-C-N 110.52 -3.036 . . . . 0.0 108.153 -172.369 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -156.48 112.76 3.04 Favored 'General case' 0 N--CA 1.502 2.156 0 CA-C-O 124.363 2.03 . . . . 0.0 105.945 -166.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.8 t -88.07 119.59 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 C-N-CA 130.11 3.364 . . . . 0.0 110.704 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -65.14 107.47 1.56 Allowed 'General case' 0 C--O 1.299 3.668 0 O-C-N 125.513 1.758 . . . . 0.0 113.509 156.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.281 0.4 OUTLIER -56.69 -37.88 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 119.185 3.032 . . . . 0.0 119.185 178.69 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.81 -40.56 55.85 Favored 'General case' 0 N--CA 1.529 3.507 0 N-CA-C 119.588 3.181 . . . . 0.0 119.588 168.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.3 24.9 mt-10 -67.15 -32.91 74.35 Favored 'General case' 0 CA--C 1.598 2.816 1 N-CA-C 121.87 4.026 . . . . 0.0 121.87 162.26 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.9 mt -152.28 66.33 0.83 Allowed 'General case' 0 C--N 1.387 2.201 0 CA-C-O 125.339 2.495 . . . . 0.0 109.19 -164.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -93.47 -37.64 11.84 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 110.77 -2.923 . . . . 0.0 108.75 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.55 -68.1 0.23 Allowed 'General case' 0 C--O 1.274 2.375 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 170.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.305 4.2 p -46.3 -58.9 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.603 2.993 0 N-CA-C 120.994 3.702 . . . . 0.0 120.994 160.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.24 -51.76 2.69 Favored 'General case' 0 C--N 1.388 2.268 0 N-CA-C 118.531 2.789 . . . . 0.0 118.531 174.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.67 -50.31 68.54 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 113.818 -2.991 . . . . 0.0 114.927 168.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.513 1.1 pt-20 -44.2 -52.14 7.63 Favored 'General case' 0 C--N 1.41 3.224 0 N-CA-C 118.966 2.95 . . . . 0.0 118.966 172.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.401 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 27.1 m95 -59.3 -53.79 54.21 Favored 'General case' 0 CA--C 1.613 3.38 0 O-C-N 125.302 1.626 . . . . 0.0 113.541 174.153 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 75' ' ' TRP . 12.0 t-20 155.87 88.53 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 127.133 2.771 . . . . 0.0 107.565 158.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.7 t -151.98 74.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.372 1.563 0 CA-C-O 128.271 3.891 . . . . 0.0 101.062 -174.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -68.6 -6.21 24.37 Favored 'General case' 0 C--N 1.404 2.94 2 N-CA-C 125.311 5.3 . . . . 0.0 125.311 140.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.92 141.65 27.98 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-O 125.015 2.34 . . . . 0.0 107.495 -158.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.46 ' CE ' ' HA ' ' A' ' 80' ' ' MET . 28.6 mmt -96.27 112.71 60.65 Favored Pre-proline 1 CA--C 1.636 4.286 0 C-N-CA 131.423 3.889 . . . . 0.0 104.485 175.075 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.328 62.5 Cg_endo -153.7 149.12 0.0 OUTLIER 'Cis proline' 0 C--O 1.274 2.277 0 N-CA-C 121.411 3.581 . . . . 0.0 121.411 3.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.8 m -123.09 138.66 54.61 Favored 'General case' 0 C--O 1.183 -2.432 0 C-N-CA 130.809 3.644 . . . . 0.0 114.249 -142.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -127.53 121.42 30.62 Favored 'General case' 0 CA--C 1.623 3.787 1 N-CA-C 100.02 -4.067 . . . . 0.0 100.02 -163.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.449 2.2 mt -128.35 135.74 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.85 3 O-C-N 129.584 4.303 . . . . 0.0 108.989 -166.116 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -135.89 107.54 6.99 Favored 'General case' 0 CA--C 1.623 3.753 1 N-CA-C 100.019 -4.067 . . . . 0.0 100.019 -153.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.58 127.16 30.71 Favored 'General case' 0 N--CA 1.499 1.983 1 N-CA-C 98.577 -4.601 . . . . 0.0 98.577 -170.608 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -130.37 -175.43 3.64 Favored 'General case' 0 CA--C 1.589 2.455 0 CA-C-N 109.576 -3.465 . . . . 0.0 104.677 -169.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -65.78 46.96 0.03 OUTLIER 'General case' 1 CA--C 1.675 5.751 0 N-CA-C 116.531 2.049 . . . . 0.0 116.531 163.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 176.89 51.4 0.06 OUTLIER Glycine 0 C--N 1.293 -1.825 0 CA-C-N 112.942 -1.936 . . . . 0.0 113.179 172.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.452 7.0 ttmt 55.25 -162.09 0.15 Allowed 'General case' 0 N--CA 1.526 3.362 0 N-CA-C 117.923 2.564 . . . . 0.0 117.923 -173.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.3 tp -56.1 97.94 0.02 OUTLIER 'General case' 0 C--N 1.273 -2.733 0 CA-C-O 124.705 2.193 . . . . 0.0 109.954 175.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.422 4.6 m -69.27 -43.37 81.33 Favored 'Isoleucine or valine' 0 C--O 1.254 1.32 1 N-CA-C 123.219 4.525 . . . . 0.0 123.219 163.046 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.55 161.77 29.98 Favored 'General case' 1 N--CA 1.572 5.635 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 -172.904 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.33 139.21 11.77 Favored 'General case' 0 C--N 1.384 2.101 0 CA-C-O 123.217 1.484 . . . . 0.0 107.62 -171.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.2 m -154.9 157.26 37.52 Favored 'General case' 0 N--CA 1.502 2.159 0 N-CA-C 102.205 -3.257 . . . . 0.0 102.205 -172.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.9 p -151.69 102.26 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.611 3.308 0 N-CA-C 102.389 -3.189 . . . . 0.0 102.389 -169.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 160.79 112.88 0.3 Allowed Glycine 0 N--CA 1.508 3.439 0 CA-C-O 114.694 -3.281 . . . . 0.0 107.681 162.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.94 124.78 15.09 Favored 'General case' 0 C--N 1.382 2.019 0 O-C-N 126.844 2.144 . . . . 0.0 115.897 166.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -160.75 125.52 3.68 Favored 'General case' 0 C--N 1.376 1.731 0 C-N-CA 125.975 1.71 . . . . 0.0 111.349 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.548 ' HA ' HG21 ' A' ' 47' ' ' ILE 0.416 19.9 pttt -39.68 -66.1 0.33 Allowed 'General case' 0 N--CA 1.531 3.608 1 N-CA-C 122.23 4.159 . . . . 0.0 122.23 165.225 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.4 -47.83 84.39 Favored 'General case' 0 C--N 1.376 1.754 0 C-N-CA 125.697 1.599 . . . . 0.0 114.365 171.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -39.35 -76.55 0.08 OUTLIER Glycine 0 CA--C 1.576 3.85 0 C-N-CA 129.037 3.208 . . . . 0.0 117.914 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.253 28.4 tp -52.01 -50.65 77.28 Favored Pre-proline 0 N--CA 1.508 2.471 1 N-CA-C 123.319 4.563 . . . . 0.0 123.319 174.031 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -45.27 -40.74 16.93 Favored 'Trans proline' 0 N--CA 1.528 3.535 0 N-CA-C 118.06 2.292 . . . . 0.0 118.06 157.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.0 m -67.03 -54.27 23.27 Favored 'General case' 1 N--CA 1.551 4.624 0 C-N-CA 127.079 2.152 . . . . 0.0 113.815 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.268 55.5 tp -53.74 -51.36 63.59 Favored 'General case' 0 C--O 1.196 -1.759 0 C-N-CA 127.697 2.399 . . . . 0.0 116.387 171.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.493 HG21 HD11 ' A' ' 51' ' ' LEU . 79.6 t -58.84 -51.73 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.532 3.669 0 C-N-CA 125.532 1.533 . . . . 0.0 110.699 168.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.3 -48.97 6.87 Favored 'General case' 0 C--O 1.264 1.828 0 CA-C-N 122.314 2.325 . . . . 0.0 117.224 170.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -59.13 -42.58 90.94 Favored 'General case' 0 C--O 1.196 -1.744 1 N-CA-C 122.721 4.341 . . . . 0.0 122.721 165.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.328 4.7 m-70 -63.01 -61.35 2.45 Favored 'General case' 0 N--CA 1.532 3.626 0 N-CA-C 119.266 3.061 . . . . 0.0 119.266 172.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.93 -35.81 81.9 Favored 'General case' 0 N--CA 1.525 3.296 1 N-CA-C 124.011 4.819 . . . . 0.0 124.011 171.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.273 29.8 m -60.45 -49.58 76.98 Favored 'General case' 1 CA--C 1.633 4.158 0 O-C-N 118.669 -2.519 . . . . 0.0 114.169 157.615 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.382 2.012 0 CA-C-O 127.574 3.559 . . . . 0.0 118.897 162.314 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 123.256 1.503 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -159.71 120.34 3.09 Favored 'General case' 0 CA--C 1.559 1.32 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 -176.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -161.2 166.82 27.21 Favored 'General case' 0 CA--C 1.573 1.842 0 CA-C-O 124.903 2.287 . . . . 0.0 109.927 -168.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.94 177.54 52.06 Favored Glycine 0 C--N 1.368 2.354 0 CA-C-N 110.468 -3.06 . . . . 0.0 114.478 165.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -152.22 117.6 5.29 Favored 'General case' 0 N--CA 1.521 3.109 0 N-CA-C 102.504 -3.147 . . . . 0.0 102.504 -160.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.6 t -98.55 119.33 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 CA-C-N 111.275 -2.693 . . . . 0.0 110.151 174.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.259 0.3 OUTLIER -130.79 129.66 63.99 Favored 'Isoleucine or valine' 0 CA--C 1.628 3.959 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 -171.377 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.23 138.39 57.64 Favored 'General case' 0 CA--C 1.553 1.074 0 O-C-N 127.766 3.166 . . . . 0.0 114.285 164.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 68.4 m -138.7 143.5 39.16 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 111.459 -2.609 . . . . 0.0 107.617 -172.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -134.61 -38.01 0.83 Allowed 'General case' 0 CA--C 1.586 2.356 0 CA-C-N 109.242 -3.617 . . . . 0.0 113.878 -156.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.415 ' O ' HG22 ' A' ' 14' ' ' THR . 44.7 p -152.32 -166.73 2.56 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 117.86 -3.025 . . . . 0.0 108.815 -162.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.6 p -51.68 -16.66 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.528 3.473 0 N-CA-C 117.49 2.404 . . . . 0.0 117.49 160.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.37 -47.1 37.58 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 118.472 2.768 . . . . 0.0 118.472 156.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 11' ' ' THR 0.385 0.9 OUTLIER -56.21 -42.93 78.01 Favored 'General case' 1 N--CA 1.54 4.049 0 N-CA-C 117.804 2.52 . . . . 0.0 117.804 166.596 . . . . . . . . 5 4 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -53.73 -38.98 64.9 Favored 'General case' 0 CA--C 1.626 3.903 0 O-C-N 125.31 1.632 . . . . 0.0 113.531 171.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -66.2 -51.86 53.62 Favored 'General case' 0 CA--C 1.608 3.207 0 CA-C-N 121.155 1.798 . . . . 0.0 112.618 161.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.65 -64.23 0.88 Allowed 'General case' 0 CA--C 1.58 2.098 0 N-CA-C 119.57 3.174 . . . . 0.0 119.57 173.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -53.06 -57.41 10.48 Favored 'General case' 0 C--O 1.263 1.797 0 C-N-CA 126.259 1.824 . . . . 0.0 115.529 177.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -58.77 -54.09 51.05 Favored 'General case' 0 N--CA 1.539 3.995 0 CA-C-O 116.602 -1.666 . . . . 0.0 114.124 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -55.91 -49.49 73.31 Favored 'General case' 0 N--CA 1.534 3.758 0 C-N-CA 127.916 2.486 . . . . 0.0 112.799 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -56.77 -61.82 2.17 Favored 'General case' 0 N--CA 1.525 3.279 0 C-N-CA 125.349 1.46 . . . . 0.0 113.318 167.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.37 -89.3 0.01 OUTLIER Glycine 0 N--CA 1.492 2.398 0 CA-C-O 127.037 3.576 . . . . 0.0 118.249 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -73.36 98.04 2.63 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 125.813 2.721 . . . . 0.0 107.011 156.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.52 -48.4 0.38 Allowed Glycine 0 CA--C 1.572 3.624 0 CA-C-N 110.245 -3.161 . . . . 0.0 113.379 162.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.6 m -103.75 122.4 44.99 Favored 'General case' 0 C--N 1.392 2.415 0 CA-C-N 109.717 -3.242 . . . . 0.0 109.831 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -69.24 71.58 0.27 Allowed 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 128.736 2.814 . . . . 0.0 112.495 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -158.75 175.93 12.99 Favored 'General case' 0 CA--C 1.575 1.926 0 O-C-N 126.904 2.627 . . . . 0.0 108.525 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.2 tp -92.85 151.9 19.72 Favored 'General case' 0 CA--C 1.562 1.422 0 CA-C-N 111.531 -2.577 . . . . 0.0 109.072 169.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.554 HG22 ' HB ' ' A' ' 59' ' ' THR 0.267 4.1 pt -146.8 136.6 17.05 Favored 'Isoleucine or valine' 0 CA--C 1.627 3.915 3 CA-C-O 130.384 4.897 . . . . 0.0 99.877 -176.055 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.395 4.5 t -145.46 121.71 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.78 1 O-C-N 116.002 -4.186 . . . . 0.0 110.512 -168.393 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 p -139.53 107.83 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.463 0 CA-C-O 125.002 2.334 . . . . 0.0 110.395 -153.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -64.81 149.32 49.6 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-O 126.633 3.111 . . . . 0.0 118.325 161.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -138.44 108.15 6.26 Favored 'General case' 0 CA--C 1.601 2.939 1 N-CA-C 93.316 -6.55 . . . . 0.0 93.316 -174.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.9 t -154.47 145.15 22.38 Favored 'General case' 0 CA--C 1.603 2.992 0 O-C-N 127.076 2.735 . . . . 0.0 105.91 -171.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.27 . . -77.59 147.2 35.77 Favored 'General case' 2 C--N 1.237 -4.293 0 CA-C-N 112.691 -2.05 . . . . 0.0 113.959 161.058 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.7 t -53.56 -47.48 70.0 Favored 'General case' 0 N--CA 1.533 3.692 0 O-C-N 118.789 -2.444 . . . . 0.0 115.45 164.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -65.05 74.23 0.04 OUTLIER 'General case' 0 CA--C 1.606 3.102 0 CA-C-O 124.839 2.257 . . . . 0.0 114.229 166.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.6 t -164.34 83.37 1.26 Allowed Pre-proline 0 N--CA 1.524 3.26 0 CA-C-N 112.949 -1.932 . . . . 0.0 108.022 -176.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.407 44.5 Cg_exo -46.82 -42.05 24.84 Favored 'Trans proline' 1 CA--C 1.621 4.871 1 C-N-CA 127.795 5.663 . . . . 0.0 118.689 167.193 . . . . . . . . 4 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -56.03 -45.34 39.15 Favored 'Trans proline' 0 CA--C 1.604 3.977 0 C-N-CA 124.758 3.639 . . . . 0.0 119.332 164.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.559 7.9 m -67.41 -25.99 66.21 Favored 'General case' 0 N--CA 1.536 3.83 0 N-CA-C 121.329 3.826 . . . . 0.0 121.329 156.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.542 15.3 tttp -48.84 -58.55 4.65 Favored 'General case' 0 C--N 1.393 2.46 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 158.118 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.416 14.3 ptt? -59.59 -38.74 82.03 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 119.377 3.102 . . . . 0.0 119.377 164.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.432 1.0 OUTLIER -60.02 -21.75 22.72 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.142 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 170.219 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.402 . . -62.13 -59.62 12.54 Favored Pre-proline 0 C--N 1.396 2.61 0 CA-C-N 123.187 2.721 . . . . 0.0 112.355 170.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -52.66 -41.28 70.03 Favored 'Trans proline' 1 CA--C 1.613 4.442 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 162.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.251 29.0 mm -52.34 -57.58 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 CA-C-N 122.734 2.515 . . . . 0.0 116.324 167.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -54.64 -42.76 71.66 Favored 'General case' 0 CA--C 1.574 1.897 0 O-C-N 126.995 2.685 . . . . 0.0 115.816 173.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.97 95.41 Favored 'General case' 0 CA--C 1.593 2.606 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 162.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -49.88 -58.22 5.84 Favored 'General case' 0 CA--C 1.581 2.159 0 N-CA-C 116.974 2.213 . . . . 0.0 116.974 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.666 HD11 HG11 ' A' ' 107' ' ' VAL . 1.9 tm? -56.33 -38.62 71.59 Favored 'General case' 0 CA--C 1.579 2.064 1 CA-C-O 109.553 -5.022 . . . . 0.0 115.427 170.432 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.16 -43.69 61.31 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 119.725 3.232 . . . . 0.0 119.725 162.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -60.89 -44.54 96.96 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 113.039 -1.891 . . . . 0.0 114.084 169.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -54.54 -38.51 66.67 Favored 'General case' 0 CA--C 1.603 2.984 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 169.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -137.13 91.67 14.55 Favored Pre-proline 0 CA--C 1.61 3.267 0 C-N-CA 125.705 1.602 . . . . 0.0 108.32 -151.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -61.04 -29.6 88.01 Favored 'Trans proline' 1 CA--C 1.611 4.326 2 C-N-CA 128.095 5.864 . . . . 0.0 122.772 170.772 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -62.18 3.95 0.15 Allowed 'General case' 0 C--O 1.27 2.16 0 C-N-CA 129.316 3.046 . . . . 0.0 116.888 -177.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.263 3.4 p -147.53 107.53 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.873 0 CA-C-O 123.394 1.568 . . . . 0.0 113.313 -150.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.554 ' HB ' HG22 ' A' ' 29' ' ' ILE 0.303 57.1 m -66.6 156.14 35.9 Favored 'General case' 0 CA--C 1.596 2.716 0 CA-C-O 128.176 3.846 . . . . 0.0 113.216 160.856 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -148.41 136.42 20.98 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 125.588 2.613 . . . . 0.0 110.546 -171.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 pp -154.06 159.03 41.37 Favored 'General case' 0 N--CA 1.501 2.091 0 CA-C-O 126.751 3.167 . . . . 0.0 107.28 -174.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -148.69 110.2 4.45 Favored 'General case' 0 C--O 1.272 2.262 0 CA-C-O 128.177 3.846 . . . . 0.0 111.236 -166.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.464 HG13 HD12 ' A' ' 68' ' ' LEU . 94.6 t -91.46 119.37 38.61 Favored 'Isoleucine or valine' 0 C--O 1.275 2.397 0 O-C-N 116.746 -3.722 . . . . 0.0 112.064 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . 0.264 30.6 t70 -67.33 102.39 1.08 Allowed 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 126.281 1.832 . . . . 0.0 108.112 166.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.391 0.3 OUTLIER -51.94 -40.95 29.83 Favored 'Isoleucine or valine' 0 C--O 1.272 2.257 0 C-N-CA 130.958 3.703 . . . . 0.0 115.609 177.264 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -50.39 -58.06 6.55 Favored 'General case' 0 N--CA 1.507 2.419 0 C-N-CA 127.169 2.187 . . . . 0.0 112.885 174.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -55.19 -31.75 61.65 Favored 'General case' 0 N--CA 1.518 2.953 1 N-CA-C 124.563 5.023 . . . . 0.0 124.563 158.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.464 HD12 HG13 ' A' ' 63' ' ' VAL . 69.2 mt -145.45 48.0 1.27 Allowed 'General case' 0 CA--C 1.575 1.916 0 CA-C-O 125.696 2.665 . . . . 0.0 114.947 -161.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.335 16.9 ptpt -73.61 -51.63 16.18 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 118.382 2.734 . . . . 0.0 118.382 171.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.46 -53.22 24.15 Favored 'General case' 0 CA--C 1.581 2.143 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 175.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 p -62.3 -46.22 96.94 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.232 1 CA-C-O 110.763 -4.446 . . . . 0.0 121.303 166.309 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.18 -52.48 4.36 Favored 'General case' 0 N--CA 1.488 1.466 1 O-C-N 129.696 4.372 . . . . 0.0 113.819 164.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . 0.317 8.4 mt-10 -53.28 -53.41 51.28 Favored 'General case' 0 N--CA 1.518 2.964 0 O-C-N 125.658 1.849 . . . . 0.0 111.946 174.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.471 0.0 OUTLIER -45.36 -49.01 13.33 Favored 'General case' 0 C--N 1.399 2.719 1 N-CA-C 123.781 4.734 . . . . 0.0 123.781 164.961 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -56.03 -52.79 62.98 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 117.775 -3.078 . . . . 0.0 112.726 169.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.281 25.3 t-20 154.22 81.81 0.0 OUTLIER 'General case' 1 N--CA 1.545 4.296 0 C-N-CA 129.662 3.185 . . . . 0.0 105.209 154.351 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.646 HG22 HG21 ' A' ' 82' ' ' THR . 61.5 t -144.45 101.86 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.46 -2.519 0 CA-C-O 127.895 3.712 . . . . 0.0 106.284 -170.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.405 ' CD ' ' H ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -88.22 -15.34 36.18 Favored 'General case' 1 CA--C 1.652 4.882 0 O-C-N 117.078 -3.513 . . . . 0.0 117.637 161.915 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -156.77 157.42 35.0 Favored 'General case' 2 C--N 1.437 4.386 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 -165.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.6 mmt -75.58 128.16 84.49 Favored Pre-proline 0 CA--C 1.598 2.813 2 CA-C-O 109.527 -5.035 . . . . 0.0 108.11 169.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.35 88.4 Cg_endo -141.3 148.09 0.0 OUTLIER 'Cis proline' 0 CA--C 1.602 3.882 0 C-N-CA 120.275 -2.802 . . . . 0.0 111.423 -21.07 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.646 HG21 HG22 ' A' ' 77' ' ' VAL . 15.8 m -127.04 142.11 51.62 Favored 'General case' 0 N--CA 1.387 -3.608 1 N-CA-C 100.077 -4.046 . . . . 0.0 100.077 -130.152 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -134.34 116.79 15.64 Favored 'General case' 1 N--CA 1.566 5.334 0 N-CA-C 100.848 -3.76 . . . . 0.0 100.848 -163.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.27 54.0 mt -116.31 136.24 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.197 1 C-N-CA 133.707 4.803 . . . . 0.0 106.986 -179.033 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -120.9 109.46 15.14 Favored 'General case' 0 C--N 1.301 -1.52 3 N-CA-C 97.081 -5.155 . . . . 0.0 97.081 -168.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.5 136.64 48.07 Favored 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 129.13 2.972 . . . . 0.0 105.459 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.365 53.8 tttt -142.02 176.71 8.74 Favored 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 126.087 1.755 . . . . 0.0 109.365 -170.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -61.42 56.65 0.01 OUTLIER 'General case' 0 CA--C 1.615 3.468 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 154.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.4 40.66 0.08 OUTLIER Glycine 0 N--CA 1.495 2.625 0 C-N-CA 129.177 3.275 . . . . 0.0 117.218 173.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt 60.68 -170.34 0.15 Allowed 'General case' 0 CA--C 1.611 3.296 0 O-C-N 118.507 -2.761 . . . . 0.0 107.368 -177.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.49 94.2 0.06 Allowed 'General case' 0 CA--C 1.58 2.121 0 CA-C-O 123.975 1.845 . . . . 0.0 111.552 174.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.361 18.3 m -61.36 -58.92 5.35 Favored 'Isoleucine or valine' 0 C--N 1.378 1.815 0 CA-C-N 111.396 -2.638 . . . . 0.0 114.233 166.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -162.68 169.8 19.48 Favored 'General case' 0 C--N 1.382 2.02 0 O-C-N 116.406 -3.934 . . . . 0.0 114.359 -165.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.67 143.43 16.02 Favored 'General case' 0 CA--C 1.575 1.911 0 O-C-N 118.781 -2.45 . . . . 0.0 113.813 -172.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 80.9 m -158.67 157.78 32.49 Favored 'General case' 0 CA--C 1.615 3.476 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.288 1.2 p -140.65 93.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 C-N-CA 127.1 2.16 . . . . 0.0 107.613 -169.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 178.02 113.21 0.35 Allowed Glycine 0 CA--C 1.561 2.966 0 CA-C-O 127.448 3.804 . . . . 0.0 109.556 172.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.37 107.18 1.04 Allowed 'General case' 0 C--N 1.387 2.21 0 CA-C-O 126.161 2.886 . . . . 0.0 111.902 158.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -158.07 118.28 3.34 Favored 'General case' 0 N--CA 1.521 3.083 0 O-C-N 116.424 -3.922 . . . . 0.0 104.92 -171.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.357 0.0 OUTLIER -45.75 -56.7 4.99 Favored 'General case' 0 N--CA 1.512 2.655 0 N-CA-C 119.346 3.091 . . . . 0.0 119.346 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -79.2 -39.84 32.28 Favored 'General case' 0 N--CA 1.507 2.38 0 CA-C-O 116.414 -1.755 . . . . 0.0 113.885 167.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -43.43 -59.09 3.71 Favored Glycine 0 C--N 1.373 2.633 1 N-CA-C 125.466 4.946 . . . . 0.0 125.466 175.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.9 tp -56.57 -48.77 96.54 Favored Pre-proline 0 CA--C 1.588 2.428 0 CA-C-O 114.003 -2.903 . . . . 0.0 114.388 173.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -46.28 -55.91 3.34 Favored 'Trans proline' 0 C--N 1.402 3.389 1 C-N-CA 125.593 4.195 . . . . 0.0 117.424 159.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.29 17.6 m -51.91 -49.58 62.75 Favored 'General case' 0 N--CA 1.532 3.666 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 178.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.9 tp -62.53 -47.82 82.24 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 118.684 2.846 . . . . 0.0 118.684 169.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.666 HG11 HD11 ' A' ' 51' ' ' LEU 0.291 42.9 t -56.44 -54.97 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 CA-C-O 113.724 -3.036 . . . . 0.0 113.319 165.533 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.45 -45.14 17.97 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 118.008 2.595 . . . . 0.0 118.008 173.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -59.47 -48.95 79.68 Favored 'General case' 0 CA--C 1.619 3.612 0 O-C-N 128.143 3.402 . . . . 0.0 112.648 170.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -54.76 -55.83 25.83 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 120.946 3.684 . . . . 0.0 120.946 165.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -49.9 -45.49 50.88 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 118.686 2.847 . . . . 0.0 118.686 172.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 48.1 m -53.88 -49.93 67.44 Favored 'General case' 0 CA--C 1.601 2.941 0 C-N-CA 125.888 1.675 . . . . 0.0 115.173 166.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.348 0 CA-C-O 124.214 1.959 . . . . 0.0 114.876 164.198 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.58 2.125 0 N-CA-C 107.491 -1.299 . . . . 0.0 107.491 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -154.8 116.79 4.18 Favored 'General case' 0 CA--C 1.608 3.178 0 N-CA-C 102.698 -3.075 . . . . 0.0 102.698 -167.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -161.36 164.52 29.96 Favored 'General case' 0 N--CA 1.52 3.047 0 CA-C-O 122.024 0.916 . . . . 0.0 111.71 -172.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.98 171.4 35.28 Favored Glycine 0 CA--C 1.569 3.438 0 C-N-CA 126.036 1.779 . . . . 0.0 114.354 161.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -157.41 136.86 12.04 Favored 'General case' 0 CA--C 1.587 2.394 0 O-C-N 118.95 -2.5 . . . . 0.0 107.11 -169.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.3 t -93.85 114.88 31.39 Favored 'Isoleucine or valine' 0 C--O 1.248 1.015 0 C-N-CA 130.143 3.377 . . . . 0.0 110.831 175.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -124.57 115.95 46.05 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.103 0 N-CA-C 101.883 -3.377 . . . . 0.0 101.883 -173.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.23 139.9 58.12 Favored 'General case' 0 CA--C 1.587 2.392 0 CA-C-O 124.051 1.882 . . . . 0.0 115.291 163.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.649 ' SG ' HD13 ' A' ' 61' ' ' LEU . 69.4 m -122.55 147.81 45.94 Favored 'General case' 0 C--N 1.282 -2.341 0 C-N-CA 129.433 3.093 . . . . 0.0 112.888 -172.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -141.24 -64.65 0.44 Allowed 'General case' 0 CA--C 1.565 1.545 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -153.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.3 p -138.35 -169.8 2.67 Favored 'General case' 0 CA--C 1.585 2.307 0 C-N-CA 128.512 2.725 . . . . 0.0 109.562 -165.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.0 p -45.07 -21.72 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.602 2.976 0 CA-C-O 128.264 3.888 . . . . 0.0 121.152 171.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.97 -41.04 95.8 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 117.618 -3.176 . . . . 0.0 112.917 172.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.276 2.1 t -50.87 -34.71 29.29 Favored 'General case' 0 CA--C 1.606 3.107 0 N-CA-C 119.44 3.126 . . . . 0.0 119.44 156.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . 0.253 37.1 m95 -55.58 -51.86 65.68 Favored 'General case' 1 N--CA 1.547 4.421 0 O-C-N 119.577 -1.952 . . . . 0.0 113.695 169.249 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -50.0 -55.58 14.1 Favored 'General case' 0 CA--C 1.604 3.027 0 N-CA-C 117.052 2.241 . . . . 0.0 117.052 161.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.406 33.5 mt-10 -53.9 -64.53 0.8 Allowed 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 121.4 3.852 . . . . 0.0 121.4 172.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -49.36 -58.78 4.48 Favored 'General case' 0 CA--C 1.593 2.615 0 O-C-N 124.618 1.198 . . . . 0.0 113.149 175.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -58.33 -59.32 5.52 Favored 'General case' 0 CA--C 1.585 2.299 0 C-N-CA 127.115 2.166 . . . . 0.0 115.556 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.408 ' O ' ' HA3' ' A' ' 24' ' ' GLY 0.368 64.7 mm-40 -51.34 -60.41 3.16 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 126.75 2.02 . . . . 0.0 115.75 177.049 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -54.46 -52.62 61.28 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 119.507 3.151 . . . . 0.0 119.507 169.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.86 -80.75 0.06 OUTLIER Glycine 0 CA--C 1.557 2.7 0 N-CA-C 120.522 2.969 . . . . 0.0 120.522 172.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -83.22 91.41 7.26 Favored 'General case' 0 CA--C 1.482 -1.662 0 O-C-N 128.474 3.102 . . . . 0.0 113.6 153.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 20' ' ' GLU . . . 171.72 -43.07 0.18 Allowed Glycine 0 CA--C 1.546 1.987 0 O-C-N 118.778 -2.451 . . . . 0.0 113.831 170.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.9 m -117.32 136.81 52.86 Favored 'General case' 0 C--O 1.266 1.953 0 C-N-CA 128.293 2.637 . . . . 0.0 104.586 -176.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.83 87.17 0.13 Allowed 'General case' 1 N--CA 1.542 4.16 0 C-N-CA 127.157 2.183 . . . . 0.0 109.186 166.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -162.13 158.18 24.34 Favored 'General case' 1 C--O 1.307 4.119 0 N-CA-C 103.406 -2.813 . . . . 0.0 103.406 176.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.2 tp -87.61 147.32 25.34 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 109.221 -3.627 . . . . 0.0 109.313 157.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.1 pt -141.64 138.49 31.99 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.088 1 C-N-CA 132.196 4.198 . . . . 0.0 106.956 -179.031 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.262 84.1 t -142.81 127.48 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.462 0 CA-C-N 113.31 -1.768 . . . . 0.0 109.004 -168.31 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.442 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 6.9 p -144.76 105.82 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.596 2.745 0 N-CA-C 118.393 2.738 . . . . 0.0 118.393 -157.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.467 ' HA ' ' O ' ' A' ' 82' ' ' THR . 11.6 t0 -68.56 125.83 27.75 Favored 'General case' 0 C--N 1.379 1.865 0 CA-C-N 110.991 -2.822 . . . . 0.0 117.55 168.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -108.31 105.29 14.92 Favored 'General case' 0 N--CA 1.51 2.53 0 CA-C-O 127.653 3.597 . . . . 0.0 102.192 171.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.9 t -151.02 135.7 17.19 Favored 'General case' 0 N--CA 1.539 3.98 0 CA-C-O 128.211 3.863 . . . . 0.0 103.713 -169.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.26 . . -79.98 149.81 30.67 Favored 'General case' 0 C--O 1.257 1.466 0 CA-C-N 110.224 -3.171 . . . . 0.0 112.154 160.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 t -58.81 -36.92 75.28 Favored 'General case' 0 CA--C 1.589 2.473 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 165.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 43.7 p-90 -58.73 61.91 0.0 OUTLIER 'General case' 1 N--CA 1.568 5.462 0 O-C-N 119.231 -2.168 . . . . 0.0 115.174 162.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.1 t -160.67 93.83 1.53 Allowed Pre-proline 0 CA--C 1.605 3.09 0 CA-C-O 115.552 -2.166 . . . . 0.0 106.923 -171.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -52.83 -34.51 65.92 Favored 'Trans proline' 2 CA--C 1.639 5.771 1 N-CA-C 124.176 4.644 . . . . 0.0 124.176 155.585 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.427 31.8 Cg_exo -51.65 -59.22 1.2 Allowed 'Trans proline' 0 N--CA 1.506 2.252 1 C-N-CA 126.753 4.968 . . . . 0.0 120.643 162.069 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.421 ' SG ' ' CG ' ' A' ' 81' ' ' PRO 0.462 28.7 m -62.52 -27.75 69.37 Favored 'General case' 0 C--N 1.385 2.151 1 N-CA-C 122.596 4.295 . . . . 0.0 122.596 157.61 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -41.69 -58.77 1.86 Allowed 'General case' 0 N--CA 1.513 2.69 0 O-C-N 118.175 -2.828 . . . . 0.0 117.119 152.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.255 12.4 ptm -68.43 -39.83 81.42 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 119.178 -2.201 . . . . 0.0 115.725 167.105 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.35 1.1 tp -53.15 -36.45 25.21 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.693 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 171.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.96 -60.64 4.34 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 117.037 -3.54 . . . . 0.0 112.877 165.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -45.8 -49.66 10.64 Favored 'Trans proline' 0 C--N 1.38 2.226 1 C-N-CA 125.814 4.342 . . . . 0.0 119.844 164.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.297 46.2 mm -53.64 -55.81 11.68 Favored 'Isoleucine or valine' 0 CA--C 1.623 3.776 0 CA-C-O 123.893 1.806 . . . . 0.0 113.206 168.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -45.96 -39.72 9.3 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 118.218 -2.801 . . . . 0.0 116.331 173.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.34 -53.57 16.14 Favored 'General case' 0 CA--C 1.549 0.905 1 O-C-N 129.554 4.284 . . . . 0.0 117.532 172.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -54.81 -50.0 69.62 Favored 'General case' 1 CA--C 1.645 4.609 0 O-C-N 118.301 -2.749 . . . . 0.0 113.575 167.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.332 2.0 tm? -46.43 -50.73 16.36 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 162.128 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.21 -37.72 55.84 Favored 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 118.841 2.904 . . . . 0.0 118.841 169.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -69.01 -39.19 79.43 Favored 'General case' 0 C--O 1.258 1.522 0 C-N-CA 129.021 2.928 . . . . 0.0 114.278 169.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -59.52 -33.81 71.84 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 117.997 2.591 . . . . 0.0 117.997 173.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 3.0 m-85 -134.89 96.08 14.91 Favored Pre-proline 0 C--O 1.263 1.772 0 C-N-CA 128.1 2.56 . . . . 0.0 110.392 -155.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 55' ' ' PHE 0.267 4.4 Cg_endo -68.89 -35.63 15.04 Favored 'Trans proline' 0 N--CA 1.527 3.486 2 C-N-CA 133.039 9.159 . . . . 0.0 126.679 179.958 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -71.42 4.22 3.15 Favored 'General case' 0 CA--C 1.588 2.431 0 N-CA-C 118.394 2.738 . . . . 0.0 118.394 176.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.299 2.5 p -144.99 108.03 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.502 0 C-N-CA 122.883 0.473 . . . . 0.0 110.211 -154.309 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.3 m -69.53 157.52 37.01 Favored 'General case' 0 CA--C 1.589 2.464 0 CA-C-N 112.467 -2.151 . . . . 0.0 110.176 169.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -149.44 122.66 8.94 Favored 'General case' 0 C--O 1.184 -2.359 0 CA-C-N 111.823 -2.444 . . . . 0.0 108.444 -168.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.649 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.274 0.3 OUTLIER -148.23 146.65 28.75 Favored 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 127.148 2.179 . . . . 0.0 108.674 -168.439 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -147.75 101.4 3.32 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 126.65 3.119 . . . . 0.0 109.378 -161.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.3 t -77.15 124.03 34.8 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.149 0 CA-C-N 110.154 -3.203 . . . . 0.0 111.521 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -67.31 90.64 0.23 Allowed 'General case' 0 N--CA 1.537 3.909 0 CA-C-N 112.28 -2.236 . . . . 0.0 110.981 155.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.349 1.0 OUTLIER -46.78 -33.27 2.05 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 N-CA-C 119.721 3.23 . . . . 0.0 119.721 172.559 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.434 30.5 m-20 -57.43 -47.47 81.68 Favored 'General case' 0 N--CA 1.532 3.649 0 CA-C-O 116.019 -1.944 . . . . 0.0 116.225 168.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -57.86 -25.33 60.59 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 120.04 3.348 . . . . 0.0 120.04 165.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.0 mt -152.82 45.04 0.68 Allowed 'General case' 0 C--N 1.413 3.352 0 CA-C-O 127.863 3.697 . . . . 0.0 117.279 -164.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.265 14.4 ptpt -62.93 -42.49 99.82 Favored 'General case' 1 N--CA 1.559 4.982 0 O-C-N 119.353 -2.092 . . . . 0.0 116.446 177.106 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.73 -66.54 0.37 Allowed 'General case' 1 N--CA 1.56 5.064 0 C-N-CA 125.696 1.598 . . . . 0.0 113.821 175.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.5 p -60.89 -44.7 98.37 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.687 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 169.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.99 -47.39 5.74 Favored 'General case' 0 C--O 1.172 -3.02 0 O-C-N 116.411 -3.931 . . . . 0.0 116.377 167.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . 0.317 48.8 tt0 -54.33 -58.9 5.65 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 113.062 -1.881 . . . . 0.0 113.042 167.16 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.253 0.0 OUTLIER -43.21 -55.93 3.71 Favored 'General case' 1 N--CA 1.552 4.637 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 170.781 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.408 16.3 m95 -51.1 -42.33 60.58 Favored 'General case' 0 C--N 1.375 1.68 0 N-CA-C 118.661 2.837 . . . . 0.0 118.661 171.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.285 41.3 t30 145.77 86.09 0.0 OUTLIER 'General case' 0 C--O 1.258 1.542 0 N-CA-C 102.213 -3.254 . . . . 0.0 102.213 155.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.458 HG22 HG21 ' A' ' 82' ' ' THR . 11.4 t -168.21 98.52 0.01 OUTLIER 'Isoleucine or valine' 1 CA--C 1.636 4.269 0 CA-C-N 120.92 1.691 . . . . 0.0 110.911 -174.379 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.293 19.4 pt-20 -114.34 43.97 1.79 Allowed 'General case' 1 CA--C 1.656 5.053 2 CA-C-N 100.02 -7.809 . . . . 0.0 113.008 143.936 . . . . . . . . 4 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.75 114.37 4.29 Favored 'General case' 0 CA--C 1.615 3.465 0 CA-C-O 126.771 3.177 . . . . 0.0 111.33 -169.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . 0.398 33.2 mmt -82.7 106.17 6.31 Favored Pre-proline 0 N--CA 1.518 2.952 0 CA-C-O 113.388 -3.196 . . . . 0.0 109.217 175.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.421 ' CG ' ' SG ' ' A' ' 41' ' ' CYS . 31.2 Cg_endo -151.94 152.15 0.0 OUTLIER 'Cis proline' 0 CA--C 1.591 3.358 3 CA-C-N 130.816 4.899 . . . . 0.0 116.563 -1.015 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 32' ' ' ASP . 4.7 m -107.48 135.41 49.01 Favored 'General case' 0 CA--C 1.586 2.331 1 CA-C-N 105.753 -5.203 . . . . 0.0 105.777 -147.065 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -126.74 134.4 50.64 Favored 'General case' 0 C--O 1.205 -1.241 0 C-N-CA 130.297 3.439 . . . . 0.0 102.473 175.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.506 HG23 HD13 ' A' ' 91' ' ' LEU 0.305 11.9 mt -136.42 124.77 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.35 0 CA-C-O 127.286 3.422 . . . . 0.0 107.368 -174.008 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -104.65 107.1 17.87 Favored 'General case' 0 CA--C 1.625 3.863 1 CA-C-N 108.324 -4.035 . . . . 0.0 104.442 -175.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.329 0.1 OUTLIER -130.82 132.05 45.0 Favored 'General case' 0 CA--C 1.582 2.205 0 N-CA-C 101.415 -3.55 . . . . 0.0 101.415 -178.56 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -137.18 -179.48 5.74 Favored 'General case' 0 CA--C 1.604 3.044 0 CA-C-N 108.734 -3.848 . . . . 0.0 106.744 -171.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -57.59 52.29 0.0 OUTLIER 'General case' 0 CA--C 1.589 2.475 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 157.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -178.03 44.92 0.09 OUTLIER Glycine 0 C--O 1.269 2.304 1 C-N-CA 131.659 4.457 . . . . 0.0 111.169 169.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.327 48.3 mtmt 62.03 -162.61 0.28 Allowed 'General case' 0 C--N 1.359 1.019 0 O-C-N 118.135 -2.979 . . . . 0.0 114.364 -172.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.506 HD13 HG23 ' A' ' 84' ' ' ILE . 49.2 tp -57.76 102.72 0.1 Allowed 'General case' 0 N--CA 1.536 3.864 0 CA-C-O 126.102 2.858 . . . . 0.0 108.367 166.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.519 32.7 m -65.64 -54.11 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.693 0 C-N-CA 126.591 1.956 . . . . 0.0 113.478 163.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -161.16 178.83 8.9 Favored 'General case' 0 C--O 1.262 1.753 0 O-C-N 118.979 -2.325 . . . . 0.0 113.931 -165.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.25 139.06 17.99 Favored 'General case' 0 CA--C 1.577 1.985 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -168.05 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.8 m -157.02 132.9 9.49 Favored 'General case' 0 CA--C 1.623 3.782 0 C-N-CA 124.634 1.174 . . . . 0.0 108.446 -178.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.301 2.3 p -133.29 102.23 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.994 0 O-C-N 128.531 3.644 . . . . 0.0 106.944 -175.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 159.2 88.15 0.07 OUTLIER Glycine 0 C--O 1.289 3.543 1 O-C-N 131.224 5.327 . . . . 0.0 116.017 163.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.28 122.91 5.76 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 117.595 2.443 . . . . 0.0 117.595 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -160.16 129.03 4.94 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 -172.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.28 0.0 OUTLIER -39.6 -57.57 1.46 Allowed 'General case' 0 CA--C 1.604 3.026 1 N-CA-C 122.07 4.1 . . . . 0.0 122.07 -178.891 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.301 6.4 p-10 -73.91 -47.75 35.66 Favored 'General case' 0 CA--C 1.626 3.871 0 CA-C-N 112.111 -2.313 . . . . 0.0 116.573 171.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -36.58 -64.53 0.61 Allowed Glycine 0 C--N 1.29 -1.98 0 C-N-CA 128.794 3.092 . . . . 0.0 119.171 175.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.481 ' HB3' ' HD3' ' A' ' 104' ' ' PRO . 21.9 tp -48.25 -59.92 5.21 Favored Pre-proline 0 CA--C 1.576 1.962 0 N-CA-C 118.163 2.653 . . . . 0.0 118.163 166.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.481 ' HD3' ' HB3' ' A' ' 103' ' ' LEU . 84.7 Cg_exo -44.61 -50.36 8.32 Favored 'Trans proline' 0 C--N 1.395 3.008 0 N-CA-C 119.334 2.782 . . . . 0.0 119.334 167.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.4 5.2 m -53.07 -54.42 35.76 Favored 'General case' 0 N--CA 1.533 3.698 0 N-CA-C 120.561 3.541 . . . . 0.0 120.561 172.103 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 38.5 tp -61.33 -48.71 80.09 Favored 'General case' 0 CA--C 1.583 2.224 0 C-N-CA 128.261 2.624 . . . . 0.0 112.939 174.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 99.3 t -58.28 -37.8 65.12 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.763 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 169.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.87 -56.18 25.56 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 125.086 1.491 . . . . 0.0 114.916 161.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . 0.29 46.8 mttt -48.69 -42.64 35.46 Favored 'General case' 0 C--O 1.263 1.785 0 N-CA-C 118.489 2.774 . . . . 0.0 118.489 170.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.317 33.9 m-70 -64.25 -68.87 0.32 Allowed 'General case' 0 C--O 1.194 -1.831 0 N-CA-C 119.983 3.327 . . . . 0.0 119.983 164.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -42.6 -40.34 2.66 Favored 'General case' 0 N--CA 1.528 3.438 0 N-CA-C 120.61 3.559 . . . . 0.0 120.61 168.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.26 34.6 m -61.57 -64.81 0.82 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 119.562 -1.961 . . . . 0.0 113.295 162.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.446 0 CA-C-N 123.51 2.868 . . . . 0.0 116.108 166.021 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.57 1.735 0 CA-C-O 124.333 2.016 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -157.19 105.33 2.11 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 124.34 2.019 . . . . 0.0 109.412 -171.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -159.94 158.13 30.17 Favored 'General case' 0 C--N 1.37 1.471 0 CA-C-N 111.157 -2.747 . . . . 0.0 113.952 -175.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.05 158.43 25.47 Favored Glycine 0 N--CA 1.499 2.873 0 CA-C-N 114.31 -1.313 . . . . 0.0 115.455 162.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -151.92 121.64 6.98 Favored 'General case' 0 CA--C 1.571 1.761 0 O-C-N 118.226 -2.926 . . . . 0.0 107.642 -169.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.2 t -85.99 130.26 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.608 3.204 0 C-N-CA 129.329 3.052 . . . . 0.0 112.391 173.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.373 0.4 OUTLIER -129.5 128.76 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.693 0 C-N-CA 129.288 3.035 . . . . 0.0 109.122 -172.88 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.69 137.64 56.25 Favored 'General case' 0 CA--C 1.577 1.995 0 N-CA-C 119.803 3.261 . . . . 0.0 119.803 157.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.515 ' SG ' HD13 ' A' ' 61' ' ' LEU . 72.6 m -143.87 135.1 25.72 Favored 'General case' 0 CA--C 1.588 2.414 0 CA-C-N 110.62 -2.991 . . . . 0.0 108.352 -171.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -139.79 -41.26 0.44 Allowed 'General case' 0 C--N 1.382 2.008 0 CA-C-N 110.573 -3.012 . . . . 0.0 115.521 -150.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.0 p -147.06 -168.75 3.13 Favored 'General case' 0 CA--C 1.584 2.286 0 O-C-N 118.803 -2.435 . . . . 0.0 107.385 -166.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 p -52.07 -23.43 3.95 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.613 0 C-N-CA 124.893 1.277 . . . . 0.0 112.05 167.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.56 -39.23 15.99 Favored 'General case' 0 CA--C 1.572 1.819 0 O-C-N 117.813 -3.055 . . . . 0.0 117.578 166.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.357 0.6 OUTLIER -64.42 -38.7 91.96 Favored 'General case' 0 N--CA 1.521 3.096 0 CA-C-O 115.358 -2.258 . . . . 0.0 115.06 166.255 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.411 ' NE1' HG21 ' A' ' 71' ' ' VAL 0.322 35.8 m95 -46.8 -42.89 17.78 Favored 'General case' 0 N--CA 1.522 3.145 0 O-C-N 125.963 2.039 . . . . 0.0 116.434 160.647 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -62.31 -57.05 12.79 Favored 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 121.069 3.729 . . . . 0.0 121.069 154.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -50.56 -60.68 2.78 Favored 'General case' 0 N--CA 1.528 3.468 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -54.07 -60.69 3.0 Favored 'General case' 0 N--CA 1.52 3.048 0 C-N-CA 129.899 3.28 . . . . 0.0 115.713 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.328 21.5 t80 -53.72 -59.81 4.13 Favored 'General case' 0 CA--C 1.599 2.83 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 176.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -49.9 -49.01 51.23 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 119.498 3.147 . . . . 0.0 119.498 170.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.274 22.4 mmtp -62.4 -63.18 1.31 Allowed 'General case' 0 N--CA 1.512 2.67 0 CA-C-O 117.659 -1.163 . . . . 0.0 113.784 170.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.24 -82.15 0.02 OUTLIER Glycine 1 CA--C 1.582 4.276 0 CA-C-O 125.476 2.709 . . . . 0.0 115.961 175.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -75.86 96.85 3.78 Favored 'General case' 0 CA--C 1.564 1.482 0 CA-C-O 124.543 2.116 . . . . 0.0 106.351 161.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.66 -46.63 0.34 Allowed Glycine 0 CA--C 1.571 3.559 0 CA-C-O 126.085 3.047 . . . . 0.0 114.302 166.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.9 m -117.78 123.35 45.77 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 103.87 -2.641 . . . . 0.0 103.87 -166.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -56.98 76.63 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 N-CA-C 117.884 2.55 . . . . 0.0 117.884 168.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -158.14 162.84 37.99 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.245 1.418 . . . . 0.0 110.758 -174.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.2 tp -75.71 151.36 37.68 Favored 'General case' 0 N--CA 1.525 3.295 0 C-N-CA 125.278 1.431 . . . . 0.0 114.597 148.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 86' ' ' LEU . 1.9 pt -145.94 127.61 8.04 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.447 0 C-N-CA 130.089 3.355 . . . . 0.0 106.775 176.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.4 t -133.82 142.85 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.967 0 C-N-CA 130.285 3.434 . . . . 0.0 102.847 -162.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.413 HG13 ' HE2' ' A' ' 33' ' ' PHE 0.369 2.5 p -150.15 122.53 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.526 3.346 0 O-C-N 116.676 -3.765 . . . . 0.0 104.744 -162.405 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -81.01 141.59 34.25 Favored 'General case' 0 CA--C 1.577 2.008 0 C-N-CA 128.645 2.778 . . . . 0.0 106.443 159.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.413 ' HE2' HG13 ' A' ' 31' ' ' VAL . 96.8 m-85 -123.78 105.59 9.79 Favored 'General case' 0 N--CA 1.509 2.508 0 C-N-CA 131.134 3.774 . . . . 0.0 102.414 171.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.408 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 4.1 t -152.07 142.9 22.97 Favored 'General case' 1 CA--C 1.629 4.008 0 CA-C-O 127.26 3.409 . . . . 0.0 104.561 -171.326 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.321 . . -81.37 153.57 26.92 Favored 'General case' 0 N--CA 1.528 3.437 1 CA-C-N 107.78 -4.282 . . . . 0.0 114.345 168.667 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 t -54.84 -40.75 69.95 Favored 'General case' 0 CA--C 1.577 2.011 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 161.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.26 34.8 p-90 -71.45 74.52 0.76 Allowed 'General case' 0 CA--C 1.579 2.088 0 C-N-CA 130.832 3.653 . . . . 0.0 113.777 161.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.4 t -164.41 91.46 1.03 Allowed Pre-proline 0 CA--C 1.592 2.58 0 O-C-N 125.679 1.862 . . . . 0.0 107.025 -176.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -56.33 -49.35 15.39 Favored 'Trans proline' 1 CA--C 1.607 4.154 1 C-N-CA 126.879 5.053 . . . . 0.0 115.533 159.738 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -39.98 -53.69 2.35 Favored 'Trans proline' 0 N--CA 1.527 3.487 1 CA-C-N 128.789 4.175 . . . . 0.0 116.743 167.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.641 2.3 m -61.43 -40.2 93.57 Favored 'General case' 0 N--CA 1.509 2.52 0 N-CA-C 120.649 3.574 . . . . 0.0 120.649 168.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -47.78 -44.36 28.4 Favored 'General case' 0 N--CA 1.484 1.236 1 N-CA-C 122.844 4.387 . . . . 0.0 122.844 166.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.258 15.5 ptm -63.26 -50.86 68.5 Favored 'General case' 1 N--CA 1.545 4.3 0 O-C-N 128.521 3.638 . . . . 0.0 115.425 158.758 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.537 1.0 OUTLIER -49.76 -21.72 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.836 1 N-CA-C 123.647 4.684 . . . . 0.0 123.647 169.039 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.85 -68.33 0.84 Allowed Pre-proline 0 CA--C 1.576 1.96 0 CA-C-O 114.886 -2.483 . . . . 0.0 108.509 163.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -44.85 -47.72 11.48 Favored 'Trans proline' 0 C--N 1.37 1.703 1 N-CA-C 124.396 4.729 . . . . 0.0 124.396 166.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.264 32.5 mm -53.75 -53.44 26.4 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.95 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 167.236 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -52.04 -49.04 64.23 Favored 'General case' 1 N--CA 1.55 4.57 0 CA-C-O 118.48 -0.771 . . . . 0.0 112.505 170.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.07 -56.23 20.02 Favored 'General case' 0 C--N 1.375 1.676 0 N-CA-C 119.358 3.096 . . . . 0.0 119.358 167.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.255 41.5 tt0 -48.96 -53.07 21.36 Favored 'General case' 0 N--CA 1.517 2.895 1 O-C-N 113.238 -5.914 . . . . 0.0 120.508 169.444 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.42 HD21 HG11 ' A' ' 107' ' ' VAL . 0.3 OUTLIER -50.94 -49.21 60.27 Favored 'General case' 0 CA--C 1.587 2.372 0 CA-C-O 114.619 -2.61 . . . . 0.0 114.311 160.573 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.19 -50.18 16.05 Favored 'General case' 0 C--O 1.276 2.451 0 N-CA-C 118.323 2.712 . . . . 0.0 118.323 166.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -61.5 -29.44 69.98 Favored 'General case' 0 CA--C 1.6 2.875 0 N-CA-C 118.013 2.597 . . . . 0.0 118.013 170.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -71.23 -29.84 65.61 Favored 'General case' 0 CA--C 1.578 2.034 0 C-N-CA 129.5 3.12 . . . . 0.0 114.108 173.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -136.05 98.14 11.85 Favored Pre-proline 0 CA--C 1.603 2.984 0 C-N-CA 127.212 2.205 . . . . 0.0 108.231 -157.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.261 1.8 Cg_endo -71.83 -24.47 21.21 Favored 'Trans proline' 0 CA--C 1.593 3.462 2 C-N-CA 131.788 8.326 . . . . 0.0 125.345 173.872 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -75.25 12.46 0.93 Allowed 'General case' 0 N--CA 1.535 3.815 0 C-N-CA 130.184 3.393 . . . . 0.0 114.328 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.403 1.6 p -150.11 103.27 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.151 0 CA-C-O 124.084 1.897 . . . . 0.0 109.386 -154.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.7 m -62.45 147.84 47.43 Favored 'General case' 0 CA--C 1.624 3.807 0 CA-C-O 125.228 2.442 . . . . 0.0 109.114 160.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -141.66 132.32 25.57 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 109.902 -3.317 . . . . 0.0 107.723 -176.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.515 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.347 1.0 OUTLIER -143.39 159.92 41.5 Favored 'General case' 0 CA--C 1.627 3.935 0 CA-C-N 110.38 -3.1 . . . . 0.0 107.073 -174.015 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.4 ptmm? -150.84 110.93 4.12 Favored 'General case' 0 N--CA 1.518 2.945 0 CA-C-N 112.779 -2.009 . . . . 0.0 110.271 -170.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.3 t -93.31 116.59 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.906 1 C-N-CA 132.624 4.37 . . . . 0.0 109.416 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . 0.265 11.2 t70 -64.4 96.99 0.18 Allowed 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 110.431 -3.077 . . . . 0.0 108.587 158.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.483 HG11 ' SD ' ' A' ' 80' ' ' MET 0.349 0.3 OUTLIER -57.39 -28.48 30.94 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.51 0 CA-C-O 112.76 -3.495 . . . . 0.0 119.022 174.282 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -49.74 -38.38 33.34 Favored 'General case' 1 CA--C 1.63 4.048 0 O-C-N 127.091 2.744 . . . . 0.0 117.986 168.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -77.33 -24.83 50.75 Favored 'General case' 0 CA--C 1.621 3.7 0 N-CA-C 120.127 3.38 . . . . 0.0 120.127 164.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.251 61.4 mt -138.73 37.43 2.2 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 127.035 2.134 . . . . 0.0 114.382 -158.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.39 11.1 ptpt -53.68 -47.1 70.74 Favored 'General case' 0 CA--C 1.574 1.88 1 N-CA-C 123.152 4.501 . . . . 0.0 123.152 167.228 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.35 -59.77 3.68 Favored 'General case' 0 CA--C 1.599 2.845 0 C-N-CA 127.758 2.423 . . . . 0.0 114.387 175.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.411 HG21 ' NE1' ' A' ' 15' ' ' TRP 0.457 2.1 p -54.34 -46.76 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.665 0 N-CA-C 119.134 3.013 . . . . 0.0 119.134 166.858 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.35 -44.43 62.05 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 115.927 -1.987 . . . . 0.0 113.409 170.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . 0.256 17.8 tt0 -54.4 -57.13 12.46 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 127.755 2.422 . . . . 0.0 111.973 169.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.314 0.0 OUTLIER -52.09 -53.65 39.91 Favored 'General case' 0 N--CA 1.523 3.205 0 CA-C-O 111.937 -3.887 . . . . 0.0 115.792 177.876 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -53.91 -45.84 71.27 Favored 'General case' 0 CA--C 1.61 3.271 0 O-C-N 128.144 3.402 . . . . 0.0 110.29 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.63 23.3 t-20 153.55 67.9 0.0 OUTLIER 'General case' 0 N--CA 1.522 3.126 0 C-N-CA 130.003 3.321 . . . . 0.0 115.02 155.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.472 HG22 HG21 ' A' ' 82' ' ' THR . 85.9 t -144.99 82.66 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.334 1 CA-C-O 130.32 4.866 . . . . 0.0 104.337 -161.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -72.65 -1.7 17.25 Favored 'General case' 0 CA--C 1.597 2.775 2 CA-C-N 106.85 -4.705 . . . . 0.0 122.919 149.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . 0.501 . . -148.36 123.67 10.25 Favored 'General case' 0 CA--C 1.628 3.953 0 O-C-N 128.679 3.737 . . . . 0.0 112.737 -160.18 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.483 ' SD ' HG11 ' A' ' 65' ' ' VAL 0.355 32.1 mmt -66.61 110.11 4.4 Favored Pre-proline 0 CA--C 1.624 3.816 0 CA-C-N 122.128 2.24 . . . . 0.0 114.554 149.409 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.307 84.4 Cg_endo -148.16 153.84 0.0 OUTLIER 'Cis proline' 0 N--CA 1.535 3.967 1 N-CA-C 124.22 4.661 . . . . 0.0 124.22 -8.047 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.472 HG21 HG22 ' A' ' 77' ' ' VAL . 90.0 m -117.67 139.15 51.4 Favored 'General case' 0 N--CA 1.53 3.529 1 CA-C-N 104.832 -5.622 . . . . 0.0 101.646 -140.761 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -133.96 110.1 9.46 Favored 'General case' 0 N--CA 1.511 2.593 1 O-C-N 130.728 5.017 . . . . 0.0 101.764 -169.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.3 mt -123.91 148.59 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 1 C-N-CA 132.015 4.126 . . . . 0.0 111.155 -172.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -131.46 113.19 13.4 Favored 'General case' 0 N--CA 1.526 3.368 1 CA-C-N 107.801 -4.272 . . . . 0.0 110.411 -163.059 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.463 ' O ' HG12 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -138.29 120.72 16.01 Favored 'General case' 0 N--CA 1.512 2.668 1 O-C-N 129.593 4.308 . . . . 0.0 102.066 -169.982 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -125.72 173.47 9.0 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 127.82 2.448 . . . . 0.0 108.608 -169.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.281 3.1 p30 -47.2 26.86 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.081 1 N-CA-C 122.329 4.196 . . . . 0.0 122.329 158.006 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.57 48.32 0.36 Allowed Glycine 0 C--N 1.258 -3.8 0 C-N-CA 125.55 1.548 . . . . 0.0 112.316 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.357 35.6 mtmt 48.74 -172.71 0.02 OUTLIER 'General case' 0 N--CA 1.519 3.0 0 N-CA-C 116.709 2.114 . . . . 0.0 116.709 -170.134 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.7 tp -59.63 101.63 0.12 Allowed 'General case' 0 C--N 1.27 -2.891 0 C-N-CA 130.462 3.505 . . . . 0.0 112.019 -175.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.646 29.3 m -71.31 -42.99 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 129.69 3.196 . . . . 0.0 117.528 175.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -166.28 168.47 15.09 Favored 'General case' 0 N--CA 1.517 2.924 0 CA-C-N 123.024 2.647 . . . . 0.0 110.827 -171.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.9 128.72 5.71 Favored 'General case' 0 N--CA 1.502 2.146 0 CA-C-O 123.9 1.81 . . . . 0.0 109.621 -171.192 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.7 m -156.43 150.56 25.24 Favored 'General case' 1 CA--C 1.632 4.122 1 O-C-N 115.972 -4.205 . . . . 0.0 104.33 -174.488 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.276 1.9 p -145.93 102.49 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.257 -3.43 0 N-CA-C 104.21 -2.515 . . . . 0.0 104.21 -173.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 167.81 91.59 0.08 OUTLIER Glycine 0 N--CA 1.419 -2.478 0 CA-C-N 110.653 -2.976 . . . . 0.0 114.749 168.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -46.57 120.08 2.74 Favored 'General case' 0 C--O 1.198 -1.605 0 N-CA-C 118.175 2.657 . . . . 0.0 118.175 169.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -156.47 128.99 7.63 Favored 'General case' 0 N--CA 1.531 3.58 0 O-C-N 119.61 -1.931 . . . . 0.0 107.556 -172.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.547 0.0 OUTLIER -44.44 -61.15 1.63 Allowed 'General case' 1 CA--C 1.633 4.151 0 CA-C-O 126.944 3.259 . . . . 0.0 115.94 177.509 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.392 17.5 p-10 -75.08 -52.06 11.95 Favored 'General case' 1 N--CA 1.54 4.039 0 CA-C-N 112.163 -2.29 . . . . 0.0 114.465 175.733 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -39.27 -57.09 2.22 Favored Glycine 0 N--CA 1.469 0.857 1 N-CA-C 123.423 4.129 . . . . 0.0 123.423 174.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.4 57.4 tp -44.93 -62.26 1.75 Allowed Pre-proline 0 N--CA 1.524 3.262 0 O-C-N 119.502 -2.175 . . . . 0.0 114.585 170.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -55.78 -34.18 90.27 Favored 'Trans proline' 0 C--O 1.267 1.947 0 C-N-CA 124.748 3.632 . . . . 0.0 118.337 167.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.9 m -59.68 -59.22 5.79 Favored 'General case' 0 CA--C 1.604 3.049 0 CA-C-N 121.47 1.941 . . . . 0.0 114.718 169.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 33.1 tp -47.95 -55.72 9.31 Favored 'General case' 0 CA--C 1.591 2.528 0 O-C-N 127.266 2.854 . . . . 0.0 116.096 171.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.42 HG11 HD21 ' A' ' 51' ' ' LEU . 54.3 t -53.82 -54.3 20.71 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.113 0 C-N-CA 129.211 3.004 . . . . 0.0 115.677 169.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.75 -52.8 8.04 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-N 119.929 1.24 . . . . 0.0 113.972 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -49.74 -53.33 25.54 Favored 'General case' 0 C--N 1.365 1.256 1 N-CA-C 122.661 4.319 . . . . 0.0 122.661 160.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.251 52.8 m-70 -58.66 -46.88 86.21 Favored 'General case' 0 N--CA 1.525 3.317 0 N-CA-C 120.417 3.488 . . . . 0.0 120.417 170.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.09 -57.29 11.63 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 114.572 -2.632 . . . . 0.0 116.697 167.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 13.3 m -57.04 -58.15 9.42 Favored 'General case' 0 C--O 1.251 1.173 0 O-C-N 127.569 3.043 . . . . 0.0 110.137 170.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--O 1.35 6.365 0 CA-C-O 113.113 -3.327 . . . . 0.0 118.382 174.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.972 0 CA-C-O 119.58 -0.248 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -149.09 122.51 9.06 Favored 'General case' 0 CA--C 1.571 1.769 0 C-N-CA 127.797 2.439 . . . . 0.0 106.785 -175.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -158.47 156.67 30.74 Favored 'General case' 0 C--O 1.253 1.287 0 CA-C-O 122.678 1.227 . . . . 0.0 110.288 -174.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.42 160.5 27.98 Favored Glycine 0 CA--C 1.558 2.719 0 CA-C-N 112.466 -2.152 . . . . 0.0 117.868 159.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -155.01 129.33 9.0 Favored 'General case' 0 C--N 1.375 1.686 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -168.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -84.4 131.11 34.75 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.802 1 O-C-N 129.298 4.124 . . . . 0.0 106.707 174.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 61' ' ' LEU 0.332 0.2 OUTLIER -133.21 119.09 34.49 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.087 0 C-N-CA 130.318 3.447 . . . . 0.0 104.849 -174.161 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.47 135.82 57.16 Favored 'General case' 1 CA--C 1.646 4.642 0 CA-C-O 125.297 2.475 . . . . 0.0 114.562 163.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.7 m -128.43 138.44 52.31 Favored 'General case' 0 CA--C 1.609 3.223 0 CA-C-N 109.273 -3.603 . . . . 0.0 114.217 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.8 m170 -133.51 -47.67 0.82 Allowed 'General case' 0 N--CA 1.522 3.129 1 CA-C-N 108.032 -4.167 . . . . 0.0 116.038 -160.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.4 p -146.44 -169.5 3.28 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 112.609 -2.087 . . . . 0.0 112.709 -158.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.414 5.8 p -51.36 -14.89 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.588 2.416 1 N-CA-C 122.439 4.237 . . . . 0.0 122.439 170.568 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.264 0.9 OUTLIER -61.22 -47.96 83.7 Favored 'General case' 0 CA--C 1.586 2.34 0 CA-C-N 113.396 -1.729 . . . . 0.0 114.221 160.037 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.256 1.0 OUTLIER -50.89 -34.56 28.77 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 115.243 -2.313 . . . . 0.0 116.857 164.801 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.426 ' NE1' HG21 ' A' ' 71' ' ' VAL 0.352 28.8 m95 -49.48 -55.88 11.71 Favored 'General case' 0 CA--C 1.612 3.363 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 163.07 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -55.85 -40.18 72.49 Favored 'General case' 0 N--CA 1.511 2.612 0 N-CA-C 118.994 2.961 . . . . 0.0 118.994 162.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.278 49.2 mt-10 -72.83 -61.49 1.79 Allowed 'General case' 0 CA--C 1.575 1.939 0 C-N-CA 128.531 2.732 . . . . 0.0 117.716 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -57.74 -60.43 3.71 Favored 'General case' 0 C--O 1.259 1.566 0 C-N-CA 128.07 2.548 . . . . 0.0 113.787 176.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.404 12.0 t80 -56.72 -59.06 5.57 Favored 'General case' 0 N--CA 1.515 2.809 0 N-CA-C 117.044 2.239 . . . . 0.0 117.044 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.324 3.7 mm-40 -57.68 -44.41 85.78 Favored 'General case' 0 CA--C 1.598 2.82 0 C-N-CA 126.704 2.002 . . . . 0.0 115.124 174.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.308 23.3 mmtp -57.04 -62.13 1.97 Allowed 'General case' 0 CA--C 1.582 2.19 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 165.105 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.23 -84.62 0.03 OUTLIER Glycine 0 CA--C 1.57 3.5 0 C-N-CA 127.261 2.362 . . . . 0.0 116.273 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -69.79 86.35 0.5 Allowed 'General case' 0 CA--C 1.585 2.322 0 CA-C-O 125.944 2.783 . . . . 0.0 112.88 159.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.92 -48.23 0.46 Allowed Glycine 0 C--N 1.379 2.919 0 CA-C-N 111.613 -2.54 . . . . 0.0 118.649 161.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.352 26.8 m -82.97 134.44 35.06 Favored 'General case' 0 CA--C 1.587 2.396 0 CA-C-N 108.955 -3.622 . . . . 0.0 107.322 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.307 22.0 mp0 -61.84 70.25 0.01 OUTLIER 'General case' 0 CA--C 1.579 2.076 0 C-N-CA 127.35 2.26 . . . . 0.0 111.549 174.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -163.82 159.22 20.94 Favored 'General case' 0 CA--C 1.563 1.456 0 CA-C-O 124.032 1.873 . . . . 0.0 111.331 -176.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.599 HD21 ' HB3' ' A' ' 110' ' ' HIS . 25.3 tp -86.29 149.07 25.32 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-N 109.315 -3.584 . . . . 0.0 107.218 162.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.5 pt -143.09 127.11 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.119 1 N-CA-C 99.92 -4.104 . . . . 0.0 99.92 -177.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.4 t -134.3 117.9 26.0 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.962 0 N-CA-C 101.858 -3.386 . . . . 0.0 101.858 -168.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.5 p -137.74 109.73 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.624 3.792 0 O-C-N 118.536 -2.603 . . . . 0.0 110.339 -156.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -73.13 148.11 44.22 Favored 'General case' 0 CA--C 1.606 3.106 1 O-C-N 130.09 4.619 . . . . 0.0 111.29 170.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -143.88 104.49 4.17 Favored 'General case' 0 C--O 1.276 2.458 1 N-CA-C 97.179 -5.119 . . . . 0.0 97.179 -171.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.7 t -151.12 145.75 25.67 Favored 'General case' 0 C--O 1.271 2.198 1 CA-C-O 131.562 5.458 . . . . 0.0 100.436 -166.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.17 145.35 37.74 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 108.916 -3.766 . . . . 0.0 112.679 167.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.7 t -54.45 -49.25 70.48 Favored 'General case' 0 N--CA 1.534 3.774 1 CA-C-O 110.852 -4.404 . . . . 0.0 114.169 161.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -59.21 76.4 0.01 OUTLIER 'General case' 1 CA--C 1.644 4.578 1 O-C-N 129.58 4.3 . . . . 0.0 115.92 158.652 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.9 t -164.31 79.39 1.44 Allowed Pre-proline 0 N--CA 1.534 3.748 0 CA-C-N 120.205 1.366 . . . . 0.0 110.505 -171.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.88 -43.97 38.82 Favored 'Trans proline' 1 CA--C 1.613 4.452 1 C-N-CA 125.491 4.128 . . . . 0.0 115.982 163.42 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.287 52.8 Cg_exo -46.06 -58.5 1.62 Allowed 'Trans proline' 0 CA--C 1.593 3.43 0 C-N-CA 124.377 3.384 . . . . 0.0 115.649 165.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.649 ' HA ' HG22 ' A' ' 44' ' ' ILE 0.443 38.6 m -56.48 -28.21 59.1 Favored 'General case' 0 C--N 1.363 1.183 1 N-CA-C 123.889 4.774 . . . . 0.0 123.889 158.706 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.288 81.8 tttt -51.41 -52.31 47.21 Favored 'General case' 0 CA--C 1.603 3.012 0 CA-C-N 122.657 2.481 . . . . 0.0 111.442 168.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.389 4.4 ptt? -61.96 -52.88 62.24 Favored 'General case' 0 N--CA 1.53 3.563 0 N-CA-C 119.714 3.227 . . . . 0.0 119.714 156.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.649 HG22 ' HA ' ' A' ' 41' ' ' CYS 0.617 1.2 tp -43.89 -37.5 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.364 1 N-CA-C 122.271 4.174 . . . . 0.0 122.271 177.865 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.21 -52.79 70.13 Favored Pre-proline 0 N--CA 1.504 2.254 0 CA-C-O 115.716 -2.088 . . . . 0.0 114.822 165.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.84 -48.33 18.27 Favored 'Trans proline' 0 C--N 1.385 2.463 0 CA-C-N 124.57 2.668 . . . . 0.0 118.743 158.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.269 51.5 mm -55.3 -52.19 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.192 0 O-C-N 118.266 -2.771 . . . . 0.0 111.648 172.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -57.43 -43.69 84.05 Favored 'General case' 0 CA--C 1.6 2.883 0 O-C-N 119.272 -2.143 . . . . 0.0 113.11 175.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.54 -46.33 87.06 Favored 'General case' 0 CA--C 1.579 2.073 1 N-CA-C 123.239 4.533 . . . . 0.0 123.239 160.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.331 18.6 tt0 -54.22 -42.67 70.09 Favored 'General case' 0 N--CA 1.513 2.706 0 CA-C-O 128.031 3.777 . . . . 0.0 117.263 165.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -59.42 -52.65 64.69 Favored 'General case' 0 C--N 1.279 -2.498 0 CA-C-N 112.047 -2.342 . . . . 0.0 115.352 171.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.6 -46.05 73.73 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 118.03 2.604 . . . . 0.0 118.03 170.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -51.64 -43.54 62.65 Favored 'General case' 0 CA--C 1.618 3.572 0 C-N-CA 125.515 1.526 . . . . 0.0 114.978 164.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.3 36.9 ttmt -62.47 -31.04 71.71 Favored 'General case' 0 CA--C 1.607 3.147 0 N-CA-C 117.078 2.251 . . . . 0.0 117.078 173.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.494 ' HB3' ' CG1' ' A' ' 58' ' ' VAL . 4.7 m-85 -134.38 93.09 19.56 Favored Pre-proline 0 CA--C 1.611 3.309 0 C-N-CA 129.815 3.246 . . . . 0.0 109.463 -153.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -67.22 -29.85 38.5 Favored 'Trans proline' 0 CA--C 1.575 2.568 2 C-N-CA 130.754 7.636 . . . . 0.0 126.308 172.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -66.25 0.19 2.2 Favored 'General case' 0 C--O 1.274 2.392 0 O-C-N 126.366 2.291 . . . . 0.0 116.37 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 55' ' ' PHE 0.272 4.3 p -146.9 112.95 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.404 0 CA-C-O 124.477 2.084 . . . . 0.0 106.996 -148.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 95.8 m -70.34 154.07 42.32 Favored 'General case' 0 N--CA 1.526 3.369 0 CA-C-N 111.077 -2.783 . . . . 0.0 111.39 164.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -149.21 134.08 17.94 Favored 'General case' 0 CA--C 1.573 1.859 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -171.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.451 ' HA ' ' O ' ' A' ' 7' ' ' ILE . 2.7 pp -154.71 164.8 38.23 Favored 'General case' 0 C--N 1.388 2.264 0 N-CA-C 104.373 -2.455 . . . . 0.0 104.373 -171.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -156.5 127.59 6.93 Favored 'General case' 0 CA--C 1.558 1.276 0 O-C-N 118.434 -2.666 . . . . 0.0 112.557 -169.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.7 t -93.19 124.79 45.74 Favored 'Isoleucine or valine' 0 C--O 1.248 0.993 0 CA-C-O 126.379 2.99 . . . . 0.0 107.828 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -70.8 107.67 4.1 Favored 'General case' 1 N--CA 1.561 5.112 1 O-C-N 115.992 -4.192 . . . . 0.0 108.2 146.86 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.373 0.3 OUTLIER -64.98 -43.04 96.21 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.408 0 C-N-CA 127.889 2.476 . . . . 0.0 114.627 -177.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.71 -45.99 4.93 Favored 'General case' 0 N--CA 1.521 3.091 0 O-C-N 119.532 -1.98 . . . . 0.0 114.607 168.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -53.72 -52.2 60.85 Favored 'General case' 0 CA--C 1.568 1.649 0 N-CA-C 121.77 3.989 . . . . 0.0 121.77 160.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.0 mt -134.01 45.95 2.57 Favored 'General case' 0 CA--C 1.604 3.055 0 C-N-CA 131.439 3.895 . . . . 0.0 112.975 -160.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.507 19.0 ptpt -57.24 -45.18 84.16 Favored 'General case' 0 C--N 1.284 -2.248 0 O-C-N 118.692 -2.505 . . . . 0.0 116.61 172.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.72 -72.52 0.06 Allowed 'General case' 0 CA--C 1.576 1.954 0 C-N-CA 130.441 3.497 . . . . 0.0 118.562 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.426 HG21 ' NE1' ' A' ' 15' ' ' TRP . 7.1 p -64.53 -38.32 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.129 0 CA-C-N 108.837 -3.801 . . . . 0.0 117.76 166.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.67 -40.55 75.74 Favored 'General case' 0 N--CA 1.534 3.745 1 O-C-N 114.937 -4.852 . . . . 0.0 110.83 171.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 76' ' ' ASN 0.311 36.4 tt0 -57.71 -53.84 53.68 Favored 'General case' 0 C--N 1.285 -2.203 1 O-C-N 116.082 -4.136 . . . . 0.0 116.194 167.947 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.275 0.0 OUTLIER -53.17 -41.45 65.21 Favored 'General case' 0 C--O 1.304 3.969 0 N-CA-C 120.201 3.408 . . . . 0.0 120.201 172.649 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -59.74 -51.62 68.97 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 125.025 3.557 . . . . 0.0 112.975 161.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' A' ' 73' ' ' GLU . 5.4 t-20 153.53 83.95 0.0 OUTLIER 'General case' 2 CA--C 1.653 4.915 1 CA-C-O 129.478 4.466 . . . . 0.0 106.837 149.206 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.5 t -131.63 94.24 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.588 2.422 0 O-C-N 117.035 -3.54 . . . . 0.0 108.735 -176.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.27 0.0 OUTLIER -89.0 -26.24 21.57 Favored 'General case' 1 C--O 1.139 -4.733 1 CA-C-N 108.015 -4.175 . . . . 0.0 116.112 164.66 . . . . . . . . 5 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.66 144.05 30.18 Favored 'General case' 1 N--CA 1.541 4.118 0 O-C-N 116.587 -3.821 . . . . 0.0 109.851 -160.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.7 mmt -91.1 113.83 59.55 Favored Pre-proline 0 C--O 1.267 1.979 0 O-C-N 117.219 -3.426 . . . . 0.0 106.845 173.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.409 97.6 Cg_endo -155.62 142.45 0.0 OUTLIER 'Cis proline' 1 C--N 1.46 6.41 1 N-CA-C 123.871 4.527 . . . . 0.0 123.871 3.071 . . . . . . . . 4 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.7 m -122.2 127.72 50.33 Favored 'General case' 0 C--N 1.309 -1.186 1 CA-C-N 105.411 -5.359 . . . . 0.0 104.12 -134.112 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -119.08 121.17 39.22 Favored 'General case' 0 C--N 1.39 2.327 3 CA-C-N 107.384 -4.462 . . . . 0.0 99.377 -163.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.258 1.4 mt -122.32 161.36 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.396 0 CA-C-O 126.473 3.035 . . . . 0.0 106.357 -175.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -142.26 104.62 4.47 Favored 'General case' 1 N--CA 1.541 4.075 0 N-CA-C 102.441 -3.17 . . . . 0.0 102.441 -157.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.79 121.25 19.32 Favored 'General case' 0 CA--C 1.586 2.351 0 N-CA-C 102.394 -3.187 . . . . 0.0 102.394 -171.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -113.01 166.88 11.0 Favored 'General case' 0 CA--C 1.581 2.154 0 C-N-CA 130.834 3.653 . . . . 0.0 109.125 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -66.85 63.46 0.05 Allowed 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 119.245 3.054 . . . . 0.0 119.245 156.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 174.98 53.01 0.05 OUTLIER Glycine 0 CA--C 1.555 2.584 0 C-N-CA 129.502 3.43 . . . . 0.0 109.205 169.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.255 53.4 mtmt 65.24 -176.35 0.18 Allowed 'General case' 1 N--CA 1.539 4.022 1 C-N-CA 132.709 4.404 . . . . 0.0 121.746 -177.115 . . . . . . . . 4 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.43 96.85 0.12 Allowed 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 125.866 1.667 . . . . 0.0 114.477 171.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.289 29.2 m -67.3 -54.92 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.612 3.336 0 CA-C-O 115.821 -2.038 . . . . 0.0 115.656 174.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.02 169.15 24.01 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 120.157 3.391 . . . . 0.0 120.157 -169.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.9 128.3 3.21 Favored 'General case' 0 CA--C 1.579 2.06 0 O-C-N 125.006 1.441 . . . . 0.0 112.291 -170.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.5 m -146.55 148.58 32.3 Favored 'General case' 0 CA--C 1.582 2.176 0 C-N-CA 126.555 1.942 . . . . 0.0 106.546 -173.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -140.63 98.63 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.616 3.502 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 -165.018 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 174.48 121.19 0.62 Allowed Glycine 0 CA--C 1.558 2.771 0 O-C-N 128.674 3.734 . . . . 0.0 106.735 168.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . 0.324 . . -67.65 101.67 1.06 Allowed 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 112.148 -2.026 . . . . 0.0 111.804 159.463 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -152.56 115.16 4.53 Favored 'General case' 0 CA--C 1.562 1.429 0 N-CA-C 100.793 -3.78 . . . . 0.0 100.793 -170.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.15 -54.48 6.8 Favored 'General case' 0 N--CA 1.522 3.131 0 N-CA-C 118.979 2.955 . . . . 0.0 118.979 -177.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.256 6.1 p-10 -65.94 -56.8 9.88 Favored 'General case' 0 N--CA 1.511 2.622 0 C-N-CA 127.607 2.363 . . . . 0.0 114.704 167.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -34.9 -56.78 0.82 Allowed Glycine 1 N--CA 1.531 4.99 0 N-CA-C 120.847 3.099 . . . . 0.0 120.847 178.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.33 17.7 tp -48.63 -63.25 1.67 Allowed Pre-proline 0 CA--C 1.611 3.296 0 C-N-CA 127.892 2.477 . . . . 0.0 113.886 170.149 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -47.67 -44.37 26.33 Favored 'Trans proline' 0 C--N 1.368 1.589 0 N-CA-C 121.795 3.729 . . . . 0.0 121.795 167.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.325 5.7 m -48.13 -61.35 2.02 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 127.234 2.834 . . . . 0.0 115.261 175.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.92 -56.1 22.75 Favored 'General case' 0 CA--C 1.578 2.05 0 CA-C-O 114.092 -2.861 . . . . 0.0 114.504 175.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.278 40.4 t -45.56 -40.44 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.187 0 CA-C-N 123.739 2.972 . . . . 0.0 117.096 165.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.01 -48.36 80.27 Favored 'General case' 0 C--N 1.378 1.828 0 N-CA-C 118.994 2.961 . . . . 0.0 118.994 176.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -62.01 -42.3 99.01 Favored 'General case' 0 CA--C 1.62 3.664 0 CA-C-N 112.306 -2.225 . . . . 0.0 111.677 165.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.599 ' HB3' HD21 ' A' ' 28' ' ' LEU . 22.0 m-70 -54.05 -58.03 8.86 Favored 'General case' 0 CA--C 1.591 2.548 1 O-C-N 114.886 -4.884 . . . . 0.0 118.829 165.52 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.04 -40.43 67.1 Favored 'General case' 0 N--CA 1.527 3.412 0 N-CA-C 119.412 3.116 . . . . 0.0 119.412 174.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 94.6 m -70.64 -64.97 0.8 Allowed 'General case' 0 CA--C 1.58 2.106 1 C-N-CA 132.318 4.247 . . . . 0.0 111.871 167.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . 0.341 . . . . . . . 0 CA--C 1.584 2.273 0 O-C-N 118.29 -2.756 . . . . 0.0 116.024 167.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.813 0 N-CA-C 105.056 -2.201 . . . . 0.0 105.056 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -134.54 122.97 23.15 Favored 'General case' 0 N--CA 1.512 2.638 0 CA-C-N 109.897 -3.32 . . . . 0.0 103.668 -160.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.271 0.3 OUTLIER -155.46 165.95 35.03 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 126.693 2.495 . . . . 0.0 109.127 -168.574 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.72 158.96 51.85 Favored Glycine 0 N--CA 1.513 3.801 0 C-N-CA 127.442 2.449 . . . . 0.0 112.459 164.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -144.16 116.03 8.29 Favored 'General case' 0 C--O 1.179 -2.629 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 -155.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.4 t -90.31 116.77 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-O 125.012 2.339 . . . . 0.0 108.499 172.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -132.37 121.23 45.29 Favored 'Isoleucine or valine' 0 CA--C 1.612 3.355 0 C-N-CA 129.367 3.067 . . . . 0.0 106.696 -176.238 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.72 149.3 49.4 Favored 'General case' 0 CA--C 1.583 2.241 0 N-CA-C 117.292 2.33 . . . . 0.0 117.292 166.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.532 ' SG ' HD13 ' A' ' 61' ' ' LEU . 82.2 m -138.24 139.06 39.05 Favored 'General case' 0 CA--C 1.594 2.669 0 CA-C-O 125.666 2.651 . . . . 0.0 110.828 -167.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -149.36 -11.17 0.31 Allowed 'General case' 0 CA--C 1.588 2.417 0 O-C-N 118.644 -2.535 . . . . 0.0 115.49 -165.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.5 p -155.69 -174.48 4.98 Favored 'General case' 0 C--N 1.391 2.379 0 O-C-N 116.982 -3.574 . . . . 0.0 106.872 -163.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.343 14.8 p -55.77 -23.01 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.554 0 O-C-N 118.642 -2.536 . . . . 0.0 116.293 166.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -50.33 -45.96 55.25 Favored 'General case' 0 N--CA 1.519 2.982 0 N-CA-C 118.408 2.744 . . . . 0.0 118.408 167.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.7 -33.91 72.21 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 119.181 3.03 . . . . 0.0 119.181 162.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -54.3 -42.54 70.2 Favored 'General case' 0 CA--C 1.586 2.354 0 CA-C-O 115.468 -2.206 . . . . 0.0 112.812 165.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -60.26 -58.6 7.83 Favored 'General case' 0 CA--C 1.585 2.297 0 O-C-N 128.546 3.654 . . . . 0.0 114.13 164.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.32 27.2 mt-10 -43.72 -59.0 2.41 Favored 'General case' 0 N--CA 1.538 3.969 0 O-C-N 119.104 -2.248 . . . . 0.0 116.326 175.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -51.97 -66.11 0.44 Allowed 'General case' 0 CA--C 1.607 3.144 1 CA-C-O 129.005 4.241 . . . . 0.0 115.081 -177.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.25 41.1 m-85 -60.64 -58.21 9.45 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 113.807 -2.997 . . . . 0.0 117.385 177.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -53.34 -50.33 65.25 Favored 'General case' 0 N--CA 1.529 3.489 0 O-C-N 127.129 2.768 . . . . 0.0 115.793 174.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -59.73 -59.94 4.63 Favored 'General case' 0 CA--C 1.586 2.365 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 170.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.34 -83.93 0.02 OUTLIER Glycine 0 N--CA 1.512 3.737 0 C-N-CA 127.1 2.286 . . . . 0.0 114.498 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -71.81 97.95 1.89 Allowed 'General case' 0 C--O 1.268 2.066 0 CA-C-O 127.641 3.591 . . . . 0.0 111.226 154.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.95 -46.66 0.36 Allowed Glycine 0 CA--C 1.534 1.237 0 CA-C-N 109.805 -3.361 . . . . 0.0 114.482 163.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -110.85 140.52 45.23 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 129.145 3.497 . . . . 0.0 104.373 -172.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -60.57 72.87 0.01 OUTLIER 'General case' 0 N--CA 1.533 3.68 0 CA-C-O 127.887 3.708 . . . . 0.0 116.557 169.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -162.27 155.97 20.99 Favored 'General case' 0 C--N 1.418 3.558 1 O-C-N 116.122 -4.111 . . . . 0.0 115.272 -176.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.7 tp -83.75 153.79 23.94 Favored 'General case' 0 N--CA 1.526 3.329 0 C-N-CA 126.119 1.768 . . . . 0.0 108.616 155.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -151.71 135.38 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 N-CA-C 103.291 -2.855 . . . . 0.0 103.291 -174.225 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.8 142.41 44.06 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 C-N-CA 128.605 2.762 . . . . 0.0 109.65 -167.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.306 1.0 OUTLIER -151.33 103.85 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.622 3.723 0 O-C-N 120.06 -1.65 . . . . 0.0 106.929 -166.071 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -76.33 104.38 6.83 Favored 'General case' 0 CA--C 1.601 2.926 0 C-N-CA 131.675 3.99 . . . . 0.0 113.13 170.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -86.6 105.08 16.61 Favored 'General case' 0 C--O 1.299 3.66 0 C-N-CA 129.49 3.116 . . . . 0.0 103.216 171.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.3 t -158.04 157.66 33.34 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 119.752 -1.842 . . . . 0.0 109.492 -173.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.281 . . -100.44 147.65 25.62 Favored 'General case' 0 N--CA 1.508 2.433 0 CA-C-O 126.101 2.858 . . . . 0.0 108.989 176.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 t -52.87 -40.85 63.78 Favored 'General case' 0 N--CA 1.535 3.805 0 N-CA-C 117.647 2.462 . . . . 0.0 117.647 168.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.359 47.4 p-90 -71.31 79.02 0.73 Allowed 'General case' 0 CA--C 1.571 1.78 0 O-C-N 127.486 2.991 . . . . 0.0 112.957 160.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.7 t -164.0 94.63 1.02 Allowed Pre-proline 0 CA--C 1.559 1.294 0 N-CA-C 104.117 -2.549 . . . . 0.0 104.117 176.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.262 6.9 Cg_endo -53.84 -43.51 57.42 Favored 'Trans proline' 1 CA--C 1.608 4.175 1 C-N-CA 125.347 4.031 . . . . 0.0 116.393 167.322 . . . . . . . . 4 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.381 39.6 Cg_exo -47.5 -56.57 2.95 Favored 'Trans proline' 0 C--N 1.372 1.805 1 C-N-CA 126.14 4.56 . . . . 0.0 117.914 168.082 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.446 ' HA ' HG22 ' A' ' 44' ' ' ILE 0.289 71.8 m -63.84 -18.72 64.42 Favored 'General case' 0 CA--C 1.478 -1.797 0 N-CA-C 119.907 3.299 . . . . 0.0 119.907 158.851 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.277 62.7 mttp -54.21 -58.99 5.3 Favored 'General case' 0 N--CA 1.517 2.904 0 O-C-N 116.375 -3.953 . . . . 0.0 114.135 160.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.384 15.3 ptt? -50.98 -38.01 48.32 Favored 'General case' 1 CA--C 1.656 5.05 0 O-C-N 117.281 -3.387 . . . . 0.0 120.082 162.666 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.446 HG22 ' HA ' ' A' ' 41' ' ' CYS 0.521 1.0 OUTLIER -64.08 -24.75 36.48 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.493 0 N-CA-C 119.264 3.061 . . . . 0.0 119.264 168.859 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.298 . . -56.24 -63.49 3.32 Favored Pre-proline 0 N--CA 1.501 2.091 0 CA-C-N 123.626 2.921 . . . . 0.0 114.699 164.218 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . 0.316 28.1 Cg_endo -48.82 -39.34 39.12 Favored 'Trans proline' 0 C--O 1.259 1.542 0 N-CA-C 120.73 3.319 . . . . 0.0 120.73 159.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.42 46.8 mm -60.48 -52.51 60.55 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.907 0 CA-C-N 123.793 2.997 . . . . 0.0 112.771 173.427 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -47.62 -55.5 9.21 Favored 'General case' 0 CA--C 1.571 1.782 0 CA-C-O 113.866 -2.969 . . . . 0.0 114.175 169.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.09 -44.3 87.54 Favored 'General case' 0 CA--C 1.61 3.263 1 N-CA-C 123.959 4.8 . . . . 0.0 123.959 165.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.341 3.1 tm-20 -45.12 -64.79 0.64 Allowed 'General case' 0 CA--C 1.588 2.436 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 166.447 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 55' ' ' PHE 0.346 0.7 OUTLIER -61.15 -37.72 83.89 Favored 'General case' 0 CA--C 1.604 3.036 0 O-C-N 127.916 3.26 . . . . 0.0 114.574 174.078 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.42 -45.84 73.08 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 118.374 -2.704 . . . . 0.0 117.409 162.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -59.74 -30.35 68.78 Favored 'General case' 0 N--CA 1.528 3.426 0 N-CA-C 120.234 3.42 . . . . 0.0 120.234 163.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -66.25 -40.84 90.47 Favored 'General case' 0 CA--C 1.583 2.239 0 CA-C-O 123.545 1.64 . . . . 0.0 113.795 170.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.438 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 2.0 m-85 -126.95 99.47 28.88 Favored Pre-proline 0 CA--C 1.6 2.889 0 C-N-CA 130.413 3.485 . . . . 0.0 103.43 -155.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.356 35.6 Cg_endo -73.42 -24.4 16.44 Favored 'Trans proline' 1 CA--C 1.611 4.367 2 C-N-CA 132.274 8.65 . . . . 0.0 122.994 176.438 . . . . . . . . 4 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -79.53 18.17 0.77 Allowed 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 129.723 3.209 . . . . 0.0 117.262 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.409 HG13 ' CE2' ' A' ' 60' ' ' PHE 0.258 7.7 p -155.41 118.74 0.44 Allowed 'Isoleucine or valine' 1 CA--C 1.655 4.986 0 C-N-CA 116.723 -1.991 . . . . 0.0 109.353 -158.432 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.1 m -84.76 154.96 22.07 Favored 'General case' 0 CA--C 1.574 1.88 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 169.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.409 ' CE2' HG13 ' A' ' 58' ' ' VAL . 97.2 m-85 -145.92 129.2 16.74 Favored 'General case' 0 CA--C 1.585 2.325 0 CA-C-N 109.545 -3.479 . . . . 0.0 109.977 -171.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.532 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.418 2.1 pp -144.14 158.61 43.62 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 127.299 3.428 . . . . 0.0 103.602 -170.4 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -150.76 114.53 4.97 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 110.89 -2.868 . . . . 0.0 111.773 -174.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 73.9 t -84.72 128.68 38.72 Favored 'Isoleucine or valine' 0 C--N 1.36 1.056 0 C-N-CA 127.976 2.51 . . . . 0.0 112.134 173.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -69.38 100.27 1.34 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.573 1.949 . . . . 0.0 108.365 156.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.389 8.9 p -48.09 -41.19 9.76 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.93 0 N-CA-C 118.88 2.918 . . . . 0.0 118.88 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -50.25 -33.19 18.84 Favored 'General case' 0 N--CA 1.517 2.901 0 N-CA-C 118.57 2.804 . . . . 0.0 118.57 171.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -62.89 -54.6 36.2 Favored 'General case' 0 N--CA 1.517 2.886 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 163.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.7 mt -130.07 48.75 2.35 Favored 'General case' 0 CA--C 1.579 2.067 0 C-N-CA 128.749 2.82 . . . . 0.0 109.063 -158.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -65.02 -48.27 74.52 Favored 'General case' 0 CA--C 1.616 3.495 0 CA-C-O 114.398 -2.715 . . . . 0.0 116.941 165.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.252 . . -50.71 -55.06 18.35 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 128.644 2.778 . . . . 0.0 113.65 173.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.338 5.4 p -61.85 -50.19 81.16 Favored 'Isoleucine or valine' 0 CA--C 1.612 3.34 0 N-CA-C 118.325 2.713 . . . . 0.0 118.325 167.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 77' ' ' VAL . . . -44.76 -51.11 9.69 Favored 'General case' 0 C--O 1.27 2.152 0 N-CA-C 115.467 1.655 . . . . 0.0 115.467 168.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -52.16 -47.12 65.65 Favored 'General case' 0 C--N 1.382 2.019 0 CA-C-O 116.01 -1.947 . . . . 0.0 115.174 172.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.591 3.8 pt-20 -54.39 -62.98 1.3 Allowed 'General case' 0 C--N 1.396 2.6 1 CA-C-O 111.607 -4.045 . . . . 0.0 116.59 176.131 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -43.28 -47.89 6.65 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-N 124.105 3.139 . . . . 0.0 119.372 166.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.3 t30 151.53 82.63 0.0 OUTLIER 'General case' 1 N--CA 1.544 4.239 0 N-CA-C 100.562 -3.866 . . . . 0.0 100.562 149.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 72' ' ' ALA . 19.3 t -151.26 74.57 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.613 3.396 0 C-N-CA 126.787 2.035 . . . . 0.0 109.683 -169.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -72.69 -7.7 51.75 Favored 'General case' 0 CA--C 1.58 2.106 0 O-C-N 128.76 3.787 . . . . 0.0 118.59 149.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.64 118.53 11.17 Favored 'General case' 0 C--N 1.4 2.792 0 C-N-CA 128.71 2.804 . . . . 0.0 118.001 -163.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -67.95 116.93 43.55 Favored Pre-proline 0 CA--C 1.592 2.558 0 CA-C-N 112.97 -1.923 . . . . 0.0 113.918 166.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.419 29.1 Cg_endo -153.97 128.88 0.0 OUTLIER 'Cis proline' 2 N--CA 1.575 6.291 0 N-CA-C 120.692 3.305 . . . . 0.0 120.692 0.681 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.2 m -95.96 136.05 36.91 Favored 'General case' 1 C--N 1.455 5.161 3 O-C-N 135.799 8.187 . . . . 0.0 99.788 -154.604 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -106.09 129.99 54.08 Favored 'General case' 0 CA--C 1.474 -1.962 1 CA-C-N 103.499 -6.228 . . . . 0.0 103.448 171.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.54 145.25 34.39 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.352 0 C-N-CA 129.213 3.005 . . . . 0.0 108.597 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -141.18 121.27 13.75 Favored 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 124.706 1.202 . . . . 0.0 110.674 -157.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.86 127.64 29.2 Favored 'General case' 1 CA--C 1.653 4.906 1 O-C-N 130.446 4.841 . . . . 0.0 103.797 -170.943 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.252 29.9 tptt -95.58 170.78 9.1 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 131.096 3.759 . . . . 0.0 113.722 167.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -59.25 29.17 0.01 OUTLIER 'General case' 0 N--CA 1.521 3.106 0 N-CA-C 117.137 2.273 . . . . 0.0 117.137 157.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.05 40.78 0.21 Allowed Glycine 2 CA--C 1.634 7.502 0 CA-C-O 124.983 2.435 . . . . 0.0 118.43 -178.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.302 19.1 mttt 85.37 178.19 0.04 OUTLIER 'General case' 0 N--CA 1.513 2.686 0 CA-C-O 112.44 -3.648 . . . . 0.0 115.547 171.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.1 tp -47.16 108.91 0.16 Allowed 'General case' 1 CA--C 1.637 4.308 0 O-C-N 126.1 2.125 . . . . 0.0 113.838 172.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.266 5.5 m -81.6 -45.36 20.44 Favored 'Isoleucine or valine' 0 C--O 1.262 1.736 0 CA-C-N 112.368 -2.196 . . . . 0.0 114.059 169.207 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -169.55 170.1 8.38 Favored 'General case' 0 N--CA 1.524 3.265 0 CA-C-N 122.061 2.209 . . . . 0.0 113.168 -174.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -153.09 134.37 14.23 Favored 'General case' 0 C--O 1.288 3.129 0 C-N-CA 128.323 2.649 . . . . 0.0 105.969 -178.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 76.7 m -161.48 143.91 12.02 Favored 'General case' 0 N--CA 1.521 3.095 0 CA-C-O 127.402 3.477 . . . . 0.0 107.961 -175.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.307 2.4 p -130.38 108.05 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.81 0 CA-C-N 110.699 -2.955 . . . . 0.0 103.064 -157.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -171.68 -160.39 20.12 Favored Glycine 0 C--N 1.389 3.502 0 CA-C-O 117.137 -1.924 . . . . 0.0 111.267 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -172.47 107.2 0.19 Allowed 'General case' 0 CA--C 1.598 2.818 0 C-N-CA 127.5 2.32 . . . . 0.0 105.092 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -170.12 127.46 0.85 Allowed 'General case' 0 N--CA 1.515 2.814 0 CA-C-N 112.499 -2.137 . . . . 0.0 110.568 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -47.79 -49.91 27.36 Favored 'General case' 0 CA--C 1.602 2.963 0 N-CA-C 120.242 3.423 . . . . 0.0 120.242 174.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -71.32 -42.24 68.84 Favored 'General case' 0 CA--C 1.594 2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 113.856 164.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -43.95 -55.8 5.45 Favored Glycine 1 N--CA 1.534 5.231 0 N-CA-C 121.113 3.205 . . . . 0.0 121.113 177.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.66 -53.62 21.18 Favored Pre-proline 0 CA--C 1.591 2.533 0 CA-C-O 116.708 -1.615 . . . . 0.0 112.463 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -43.86 -49.81 7.87 Favored 'Trans proline' 0 N--CA 1.441 -1.58 0 N-CA-C 120.416 3.198 . . . . 0.0 120.416 160.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.4 m -52.1 -60.9 2.65 Favored 'General case' 0 CA--C 1.596 2.719 0 O-C-N 117.856 -3.027 . . . . 0.0 113.639 171.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.359 50.0 tp -51.56 -56.35 14.01 Favored 'General case' 0 CA--C 1.573 1.845 0 C-N-CA 127.276 2.23 . . . . 0.0 114.792 177.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.286 11.7 t -53.58 -56.2 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.836 0 CA-C-O 114.609 -2.615 . . . . 0.0 116.303 163.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.28 -52.57 7.42 Favored 'General case' 0 CA--C 1.609 3.218 0 CA-C-O 124.349 2.024 . . . . 0.0 112.349 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -53.16 -39.78 63.82 Favored 'General case' 0 C--N 1.381 1.955 0 N-CA-C 118.449 2.759 . . . . 0.0 118.449 172.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -71.16 -60.24 2.34 Favored 'General case' 0 CA--C 1.582 2.184 0 CA-C-O 125.646 2.641 . . . . 0.0 117.847 168.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.29 -48.39 68.4 Favored 'General case' 0 C--O 1.203 -1.378 0 CA-C-O 112.008 -3.853 . . . . 0.0 117.974 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 23.5 m -56.95 -57.31 13.09 Favored 'General case' 0 CA--C 1.606 3.107 0 N-CA-C 120.746 3.61 . . . . 0.0 120.746 163.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--O 1.368 7.315 0 O-C-N 117.38 -3.325 . . . . 0.0 109.666 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 CA--C 1.604 3.057 0 CA-C-O 120.674 0.273 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.11 157.83 53.36 Favored Glycine 0 CA--C 1.557 2.658 0 O-C-N 127.81 3.194 . . . . 0.0 109.236 165.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -135.82 111.25 9.14 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 102.603 -3.11 . . . . 0.0 102.603 -165.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -78.84 116.35 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.277 0 C-N-CA 127.265 2.226 . . . . 0.0 109.509 163.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.258 0.3 OUTLIER -120.62 127.27 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 -178.462 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.93 149.14 39.5 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 128.509 2.724 . . . . 0.0 115.249 167.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.3 m -150.98 145.17 25.38 Favored 'General case' 0 CA--C 1.601 2.928 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -160.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -141.55 -42.81 0.36 Allowed 'General case' 0 C--O 1.248 0.975 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -147.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 p -145.29 -169.57 3.23 Favored 'General case' 0 CA--C 1.584 2.251 0 C-N-CA 126.612 1.965 . . . . 0.0 110.903 -162.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.263 8.0 p -48.37 -24.0 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 117.213 2.301 . . . . 0.0 117.213 165.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.5 -39.64 67.78 Favored 'General case' 0 CA--C 1.572 1.802 0 N-CA-C 120.096 3.369 . . . . 0.0 120.096 165.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.326 1.6 t -59.87 -35.13 74.16 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 119.776 3.25 . . . . 0.0 119.776 159.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -49.69 -44.21 47.91 Favored 'General case' 0 C--N 1.377 1.799 0 O-C-N 119.256 -2.153 . . . . 0.0 115.276 163.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -57.77 -56.06 26.8 Favored 'General case' 0 C--O 1.206 -1.233 0 O-C-N 121.131 -0.98 . . . . 0.0 113.608 166.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.33 -61.02 2.9 Favored 'General case' 0 CA--C 1.611 3.304 0 O-C-N 117.717 -3.114 . . . . 0.0 116.06 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -50.66 -65.1 0.62 Allowed 'General case' 0 CA--C 1.573 1.848 0 N-CA-C 116.952 2.204 . . . . 0.0 116.952 176.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.304 7.7 t80 -56.3 -55.76 29.44 Favored 'General case' 0 CA--C 1.591 2.521 1 N-CA-C 123.331 4.567 . . . . 0.0 123.331 177.286 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.535 39.6 mm-40 -63.31 -38.38 90.95 Favored 'General case' 0 CA--C 1.583 2.234 0 N-CA-C 120.971 3.693 . . . . 0.0 120.971 171.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.264 30.6 mmtp -58.57 -65.45 0.65 Allowed 'General case' 0 CA--C 1.568 1.655 0 CA-C-O 117.223 -1.37 . . . . 0.0 114.083 156.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.31 -79.47 0.06 OUTLIER Glycine 1 CA--C 1.585 4.426 0 C-N-CA 128.357 2.884 . . . . 0.0 117.149 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -79.41 78.93 5.9 Favored 'General case' 0 C--N 1.376 1.74 0 C-N-CA 127.541 2.336 . . . . 0.0 112.302 161.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.61 -39.06 0.12 Allowed Glycine 0 C--O 1.248 1.023 0 CA-C-N 112.929 -1.941 . . . . 0.0 116.586 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.9 m -119.43 139.27 52.31 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 129.508 3.123 . . . . 0.0 105.844 -175.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -71.75 87.15 0.96 Allowed 'General case' 0 C--O 1.272 2.289 0 CA-C-N 110.899 -2.864 . . . . 0.0 110.955 166.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -166.41 154.79 10.54 Favored 'General case' 0 CA--C 1.584 2.285 0 O-C-N 127.625 3.078 . . . . 0.0 111.646 176.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.9 tp -76.4 153.09 36.01 Favored 'General case' 0 CA--C 1.583 2.213 0 CA-C-O 123.165 1.459 . . . . 0.0 108.605 153.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -146.45 134.26 15.27 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.076 0 N-CA-C 104.562 -2.385 . . . . 0.0 104.562 -179.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 59.3 t -136.98 134.12 47.98 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.124 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 -166.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 p -147.27 122.64 2.56 Favored 'Isoleucine or valine' 0 C--N 1.369 1.428 0 CA-C-N 112.65 -2.068 . . . . 0.0 108.629 -168.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -81.7 146.03 30.21 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-N 111.878 -2.419 . . . . 0.0 108.331 165.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -125.71 100.06 6.26 Favored 'General case' 0 C--O 1.275 2.426 0 C-N-CA 130.278 3.431 . . . . 0.0 102.988 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.528 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 9.6 t -145.65 138.14 25.73 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 128.896 2.879 . . . . 0.0 107.542 -168.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.27 . . -73.8 139.86 45.44 Favored 'General case' 0 CA--C 1.565 1.531 0 CA-C-N 110.91 -2.859 . . . . 0.0 109.162 161.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.1 t -55.82 -39.78 71.84 Favored 'General case' 0 CA--C 1.609 3.215 0 CA-C-N 112.543 -2.117 . . . . 0.0 115.76 172.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.271 45.6 p-90 -59.86 90.73 0.02 OUTLIER 'General case' 0 C--N 1.374 1.644 0 N-CA-C 119.383 3.105 . . . . 0.0 119.383 143.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.7 t -175.52 89.63 0.29 Allowed Pre-proline 0 CA--C 1.56 1.335 0 C-N-CA 126.098 1.759 . . . . 0.0 106.936 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -56.15 -41.42 76.96 Favored 'Trans proline' 1 CA--C 1.606 4.124 0 C-N-CA 123.046 2.498 . . . . 0.0 115.842 163.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -47.04 -50.25 11.29 Favored 'Trans proline' 0 CA--C 1.574 2.503 0 CA-C-N 127.163 3.594 . . . . 0.0 120.788 162.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.512 77.1 m -60.47 -25.36 65.97 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 121.18 3.77 . . . . 0.0 121.18 159.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -59.98 -43.93 94.82 Favored 'General case' 0 N--CA 1.51 2.57 1 N-CA-C 122.061 4.096 . . . . 0.0 122.061 162.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.268 8.7 ptt? -61.2 -46.09 91.9 Favored 'General case' 0 CA--C 1.625 3.862 0 N-CA-C 116.334 1.976 . . . . 0.0 116.334 157.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.449 1.0 OUTLIER -56.69 -43.32 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 175.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.17 -56.39 10.85 Favored Pre-proline 0 CA--C 1.599 2.852 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 168.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . 0.364 38.8 Cg_exo -48.04 -40.07 33.43 Favored 'Trans proline' 0 C--N 1.375 1.931 1 N-CA-C 123.688 4.457 . . . . 0.0 123.688 157.613 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.417 50.2 mm -57.62 -54.26 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 118.738 -2.476 . . . . 0.0 111.625 171.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.482 ' HD1' HD21 ' A' ' 103' ' ' LEU . 8.9 t80 -55.23 -33.16 62.88 Favored 'General case' 0 C--O 1.251 1.154 0 N-CA-C 117.934 2.568 . . . . 0.0 117.934 169.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.96 -54.08 14.91 Favored 'General case' 0 CA--C 1.602 2.953 0 C-N-CA 131.222 3.809 . . . . 0.0 116.768 164.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -51.79 -52.6 47.81 Favored 'General case' 0 CA--C 1.592 2.575 0 O-C-N 116.922 -3.612 . . . . 0.0 112.989 169.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -51.34 -46.42 62.66 Favored 'General case' 0 N--CA 1.526 3.374 0 O-C-N 118.446 -2.659 . . . . 0.0 115.529 168.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.09 -50.4 20.02 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 120.193 3.405 . . . . 0.0 120.193 166.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -57.05 -29.7 63.64 Favored 'General case' 0 N--CA 1.514 2.76 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 165.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.298 17.4 ttmt -70.77 -34.1 71.45 Favored 'General case' 0 CA--C 1.593 2.611 0 C-N-CA 130.919 3.688 . . . . 0.0 114.261 172.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.417 ' HB3' ' CG1' ' A' ' 58' ' ' VAL . 6.8 m-85 -133.93 94.67 18.2 Favored Pre-proline 0 CA--C 1.621 3.68 0 C-N-CA 127.871 2.468 . . . . 0.0 105.925 -158.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.3 86.2 Cg_endo -69.52 -33.84 16.64 Favored 'Trans proline' 0 C--O 1.27 2.107 2 N-CA-C 126.079 5.376 . . . . 0.0 126.079 166.455 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.276 17.9 p30 -61.29 -4.39 1.19 Allowed 'General case' 0 CA--C 1.602 2.969 0 C-N-CA 129.05 2.94 . . . . 0.0 115.903 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 55' ' ' PHE . 6.4 p -145.28 108.67 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.587 2.396 0 CA-C-O 123.49 1.614 . . . . 0.0 107.954 -150.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.9 m -68.47 152.46 45.36 Favored 'General case' 0 CA--C 1.594 2.635 0 CA-C-O 125.909 2.766 . . . . 0.0 112.196 166.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -138.5 131.34 29.51 Favored 'General case' 0 CA--C 1.558 1.267 0 CA-C-N 112.679 -2.055 . . . . 0.0 108.126 -169.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.432 0.6 OUTLIER -153.73 160.07 42.18 Favored 'General case' 0 N--CA 1.432 -1.352 0 C-N-CA 125.207 1.403 . . . . 0.0 107.567 -171.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -156.75 122.44 4.79 Favored 'General case' 0 N--CA 1.53 3.565 0 N-CA-C 105.028 -2.212 . . . . 0.0 105.028 -168.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.4 t -102.47 125.86 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.603 0 C-N-CA 130.169 3.388 . . . . 0.0 111.139 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -66.11 102.89 0.87 Allowed 'General case' 0 N--CA 1.522 3.163 1 O-C-N 129.76 4.413 . . . . 0.0 110.633 159.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.282 1.6 p -52.69 -44.8 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.323 0 CA-C-N 113.656 -1.611 . . . . 0.0 113.438 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.361 5.3 m-20 -49.06 -45.52 43.05 Favored 'General case' 0 N--CA 1.517 2.908 0 C-N-CA 125.606 1.562 . . . . 0.0 112.849 170.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.379 34.3 mt-10 -58.43 -40.27 82.04 Favored 'General case' 0 N--CA 1.507 2.424 0 N-CA-C 120.881 3.66 . . . . 0.0 120.881 165.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.5 mt -148.99 54.35 0.98 Allowed 'General case' 0 CA--C 1.579 2.071 0 CA-C-O 123.896 1.808 . . . . 0.0 109.861 -162.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -66.44 -40.97 89.77 Favored 'General case' 0 N--CA 1.49 1.556 1 CA-C-O 109.437 -5.078 . . . . 0.0 118.728 166.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.452 . . -41.79 -65.14 0.48 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 127.644 3.09 . . . . 0.0 117.119 172.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.0 p -59.42 -44.5 92.79 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 O-C-N 127.544 3.028 . . . . 0.0 118.561 165.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 77' ' ' VAL . . . -51.33 -51.61 52.84 Favored 'General case' 1 N--CA 1.549 4.478 1 O-C-N 115.206 -4.684 . . . . 0.0 112.14 177.849 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -57.79 -52.21 66.42 Favored 'General case' 0 N--CA 1.506 2.343 0 CA-C-N 109.118 -3.674 . . . . 0.0 108.526 174.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.549 0.0 OUTLIER -46.79 -53.89 10.97 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-N 123.446 2.839 . . . . 0.0 116.234 174.064 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -51.48 -52.43 46.66 Favored 'General case' 0 CA--C 1.581 2.156 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 173.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.28 26.0 t-20 151.15 97.69 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.919 0 O-C-N 127.615 3.072 . . . . 0.0 102.752 157.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 72' ' ' ALA . 15.7 t -154.38 76.16 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.511 2.615 1 N-CA-C 99.346 -4.316 . . . . 0.0 99.346 -173.369 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.299 0.9 OUTLIER -68.62 -10.45 56.11 Favored 'General case' 0 CA--C 1.614 3.408 0 C-N-CA 126.76 2.024 . . . . 0.0 116.105 147.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.0 140.11 22.08 Favored 'General case' 1 CA--C 1.649 4.769 0 CA-C-O 127.648 3.594 . . . . 0.0 110.19 -162.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.528 ' SD ' ' HA ' ' A' ' 34' ' ' THR . 31.9 mmt -78.02 115.44 50.53 Favored Pre-proline 1 N--CA 1.593 6.725 0 O-C-N 118.575 -2.578 . . . . 0.0 111.419 164.623 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 80' ' ' MET 0.447 35.0 Cg_endo -154.25 142.75 0.0 OUTLIER 'Cis proline' 2 C--N 1.46 6.438 2 CA-C-O 136.051 6.605 . . . . 0.0 105.273 1.263 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 96' ' ' VAL . 18.8 m -110.05 112.99 25.34 Favored 'General case' 2 N--CA 1.56 5.047 1 CA-C-N 102.61 -6.632 . . . . 0.0 107.385 -152.975 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.421 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 44.6 m-85 -87.81 120.24 28.94 Favored 'General case' 0 CA--C 1.563 1.472 0 C-N-CA 129.031 2.932 . . . . 0.0 112.672 163.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 30' ' ' VAL 0.476 1.7 mt -107.41 153.92 8.56 Favored 'Isoleucine or valine' 0 C--O 1.296 3.546 1 C-N-CA 132.0 4.12 . . . . 0.0 111.703 177.326 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -135.28 107.56 7.26 Favored 'General case' 0 N--CA 1.484 1.242 1 CA-C-N 108.01 -4.177 . . . . 0.0 111.845 -167.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.13 124.93 16.97 Favored 'General case' 0 N--CA 1.405 -2.707 0 N-CA-C 100.939 -3.726 . . . . 0.0 100.939 -167.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -125.94 178.31 5.82 Favored 'General case' 0 CA--C 1.577 1.981 0 CA-C-N 110.462 -3.063 . . . . 0.0 107.132 -168.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -62.86 49.01 0.01 OUTLIER 'General case' 0 CA--C 1.629 4.0 0 N-CA-C 118.121 2.637 . . . . 0.0 118.121 158.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.12 59.92 0.06 OUTLIER Glycine 0 C--N 1.289 -2.037 0 C-N-CA 128.34 2.876 . . . . 0.0 116.217 168.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.535 ' HG2' ' H ' ' A' ' 91' ' ' LEU 0.422 39.3 ttmt 56.18 -167.11 0.11 Allowed 'General case' 0 CA--C 1.602 2.973 0 N-CA-C 119.786 3.254 . . . . 0.0 119.786 -172.013 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.535 ' H ' ' HG2' ' A' ' 90' ' ' LYS . 43.4 tp -56.22 101.25 0.05 Allowed 'General case' 0 N--CA 1.512 2.64 0 CA-C-O 123.612 1.673 . . . . 0.0 112.578 167.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.459 27.6 m -69.41 -51.41 42.62 Favored 'Isoleucine or valine' 0 C--N 1.393 2.484 0 N-CA-C 117.988 2.588 . . . . 0.0 117.988 167.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -152.26 162.09 41.65 Favored 'General case' 0 CA--C 1.575 1.905 0 CA-C-O 122.942 1.354 . . . . 0.0 112.974 -169.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.47 135.29 21.14 Favored 'General case' 0 CA--C 1.592 2.583 0 CA-C-N 109.6 -3.455 . . . . 0.0 111.072 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.1 m -164.67 138.33 5.04 Favored 'General case' 0 CA--C 1.585 2.31 0 C-N-CA 130.584 3.554 . . . . 0.0 107.27 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -139.42 105.48 2.4 Favored 'Isoleucine or valine' 0 C--O 1.269 2.085 1 N-CA-C 98.885 -4.487 . . . . 0.0 98.885 -162.779 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 167.94 118.61 0.45 Allowed Glycine 0 C--O 1.179 -3.325 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 166.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . 0.298 . . -60.83 115.41 3.66 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 125.293 1.437 . . . . 0.0 113.058 163.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -159.62 120.37 3.13 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 -175.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.466 46.0 pttt -45.41 -62.52 1.24 Allowed 'General case' 0 CA--C 1.587 2.394 1 N-CA-C 121.888 4.033 . . . . 0.0 121.888 176.066 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -65.38 -35.38 80.79 Favored 'General case' 0 N--CA 1.539 3.997 0 C-N-CA 126.775 2.03 . . . . 0.0 115.009 164.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -42.38 -69.21 0.62 Allowed Glycine 0 N--CA 1.496 2.637 0 N-CA-C 119.191 2.436 . . . . 0.0 119.191 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.482 HD21 ' HD1' ' A' ' 48' ' ' PHE 0.397 41.8 tp -44.53 -66.08 0.52 Allowed Pre-proline 0 CA--C 1.599 2.864 0 O-C-N 128.464 3.097 . . . . 0.0 111.45 172.297 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -43.21 -44.25 9.99 Favored 'Trans proline' 0 C--N 1.388 2.631 0 N-CA-C 120.465 3.217 . . . . 0.0 120.465 172.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.84 -57.76 10.71 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 124.991 1.432 . . . . 0.0 112.365 167.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.27 23.8 tp -47.2 -58.8 3.67 Favored 'General case' 0 CA--C 1.482 -1.641 0 C-N-CA 129.402 3.081 . . . . 0.0 116.57 177.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.46 -56.36 12.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.429 0 CA-C-O 115.215 -2.326 . . . . 0.0 112.918 167.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -39.45 -50.83 2.14 Favored 'General case' 0 N--CA 1.504 2.26 1 N-CA-C 123.524 4.638 . . . . 0.0 123.524 169.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -55.59 -57.26 12.67 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 167.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.483 59.9 m-70 -56.48 -57.78 10.85 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 120.685 3.587 . . . . 0.0 120.685 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.604 3.056 0 CA-C-O 115.358 -2.258 . . . . 0.0 115.673 168.369 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 . . . . . 0 CA--C 1.584 2.255 0 CA-C-O 122.19 0.995 . . . . 0.0 113.61 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.38 164.33 50.66 Favored Glycine 0 C--N 1.367 2.294 0 CA-C-N 113.184 -1.826 . . . . 0.0 114.386 159.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -150.17 125.39 10.06 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 104.497 -2.408 . . . . 0.0 104.497 -173.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.2 t -88.98 125.39 42.04 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.43 0 C-N-CA 130.027 3.331 . . . . 0.0 114.086 164.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.41 126.97 62.0 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.937 0 C-N-CA 128.449 2.7 . . . . 0.0 111.313 -175.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.55 134.04 50.54 Favored 'General case' 0 CA--C 1.57 1.714 0 C-N-CA 128.675 2.79 . . . . 0.0 117.674 168.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.489 ' SG ' HD13 ' A' ' 61' ' ' LEU . 87.1 m -135.77 134.63 39.19 Favored 'General case' 0 N--CA 1.516 2.874 0 N-CA-C 104.677 -2.342 . . . . 0.0 104.677 -157.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -150.28 -20.91 0.24 Allowed 'General case' 0 N--CA 1.52 3.065 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -158.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.5 p -149.62 -168.38 3.09 Favored 'General case' 0 CA--C 1.584 2.278 0 CA-C-O 124.715 2.197 . . . . 0.0 106.921 -159.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 5.6 p -52.08 -20.65 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.594 2.668 1 N-CA-C 121.815 4.006 . . . . 0.0 121.815 154.116 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.43 -47.08 69.96 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 172.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.463 0.6 OUTLIER -49.45 -45.45 46.64 Favored 'General case' 0 CA--C 1.595 2.686 0 N-CA-C 118.946 2.943 . . . . 0.0 118.946 159.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.439 ' HB2' ' O ' ' A' ' 12' ' ' VAL . 12.9 m95 -46.22 -49.48 17.07 Favored 'General case' 0 C--O 1.26 1.63 0 N-CA-C 116.773 2.138 . . . . 0.0 116.773 170.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -52.01 -64.36 0.84 Allowed 'General case' 0 N--CA 1.502 2.13 0 CA-C-N 114.347 -1.297 . . . . 0.0 113.776 159.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -49.84 -64.13 0.9 Allowed 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 128.375 2.67 . . . . 0.0 117.806 -177.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -50.43 -55.89 13.85 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 116.31 1.967 . . . . 0.0 116.31 173.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -58.77 -58.43 8.62 Favored 'General case' 0 CA--C 1.602 2.953 0 N-CA-C 119.441 3.126 . . . . 0.0 119.441 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -62.26 -61.46 2.44 Favored 'General case' 0 C--O 1.271 2.215 0 C-N-CA 127.306 2.242 . . . . 0.0 114.763 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.274 31.7 mmtp -48.38 -60.0 3.02 Favored 'General case' 1 N--CA 1.542 4.142 0 CA-C-N 122.541 2.428 . . . . 0.0 113.972 168.226 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -40.46 -81.83 0.02 OUTLIER Glycine 0 C--N 1.369 2.416 0 N-CA-C 121.258 3.263 . . . . 0.0 121.258 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -79.05 100.51 7.38 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 123.825 1.774 . . . . 0.0 112.826 154.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.29 -49.24 0.48 Allowed Glycine 0 N--CA 1.505 3.285 0 CA-C-N 110.248 -3.16 . . . . 0.0 114.487 159.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.4 m -92.85 132.02 37.37 Favored 'General case' 0 N--CA 1.512 2.645 0 N-CA-C 104.779 -2.304 . . . . 0.0 104.779 172.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -64.03 76.33 0.03 OUTLIER 'General case' 0 CA--C 1.576 1.948 1 CA-C-O 130.024 4.726 . . . . 0.0 113.774 172.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -154.22 156.5 37.21 Favored 'General case' 0 N--CA 1.534 3.754 0 O-C-N 117.977 -2.952 . . . . 0.0 114.551 -178.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.272 54.3 tp -83.28 147.68 27.82 Favored 'General case' 0 CA--C 1.601 2.914 0 CA-C-O 125.809 2.718 . . . . 0.0 110.746 164.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.599 HG22 ' HB ' ' A' ' 59' ' ' THR . 3.9 pt -146.91 133.29 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.747 0 O-C-N 117.879 -3.013 . . . . 0.0 104.998 -178.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.9 t -141.03 129.91 24.33 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.752 0 N-CA-C 103.589 -2.745 . . . . 0.0 103.589 -168.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.281 2.5 p -139.84 112.35 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.948 0 CA-C-O 126.604 3.097 . . . . 0.0 104.673 -160.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -70.53 130.48 41.96 Favored 'General case' 0 CA--C 1.614 3.44 0 O-C-N 118.591 -2.568 . . . . 0.0 114.051 153.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -114.47 111.96 22.24 Favored 'General case' 1 C--O 1.333 5.468 1 C-N-CA 135.342 5.457 . . . . 0.0 104.745 175.571 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -160.99 145.97 14.04 Favored 'General case' 0 N--CA 1.517 2.897 0 N-CA-C 101.547 -3.501 . . . . 0.0 101.547 -166.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.257 . . -80.03 158.92 26.38 Favored 'General case' 0 C--O 1.209 -1.063 1 CA-C-N 108.253 -4.067 . . . . 0.0 108.662 165.33 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.334 22.3 t -59.85 -43.01 94.88 Favored 'General case' 0 N--CA 1.518 2.93 0 O-C-N 117.513 -3.242 . . . . 0.0 116.28 166.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 24.8 p-90 -69.47 69.73 0.26 Allowed 'General case' 0 CA--C 1.567 1.623 0 N-CA-C 117.734 2.494 . . . . 0.0 117.734 162.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 54.0 t -156.63 82.46 3.35 Favored Pre-proline 0 CA--C 1.596 2.747 0 CA-C-N 112.88 -1.964 . . . . 0.0 110.664 -175.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -51.93 -41.2 64.83 Favored 'Trans proline' 0 CA--C 1.585 3.049 0 C-N-CA 125.007 3.805 . . . . 0.0 120.635 168.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -49.86 -44.56 36.16 Favored 'Trans proline' 0 CA--C 1.554 1.504 1 C-N-CA 126.128 4.552 . . . . 0.0 119.294 161.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.417 ' SG ' ' HG2' ' A' ' 81' ' ' PRO 0.328 56.5 m -77.24 -22.39 52.28 Favored 'General case' 0 C--O 1.189 -2.113 1 N-CA-C 122.031 4.086 . . . . 0.0 122.031 163.521 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.4 tttp -58.78 -43.31 90.41 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 123.492 2.86 . . . . 0.0 114.858 159.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.318 25.0 ptt? -61.95 -37.65 85.54 Favored 'General case' 0 C--N 1.387 2.225 1 N-CA-C 121.861 4.023 . . . . 0.0 121.861 153.084 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.406 1.0 OUTLIER -60.2 -31.75 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.325 0 N-CA-C 119.5 3.148 . . . . 0.0 119.5 169.145 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.41 ' HB3' ' HD3' ' A' ' 46' ' ' PRO 0.305 . . -49.15 -59.25 6.78 Favored Pre-proline 0 C--O 1.181 -2.515 0 O-C-N 125.774 1.922 . . . . 0.0 115.606 167.051 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HD3' ' HB3' ' A' ' 45' ' ' ALA . 52.3 Cg_exo -52.55 -40.01 73.54 Favored 'Trans proline' 0 N--CA 1.518 2.965 2 N-CA-C 124.163 4.64 . . . . 0.0 124.163 158.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.287 40.6 mm -52.04 -56.55 5.89 Favored 'Isoleucine or valine' 0 C--N 1.387 2.208 0 O-C-N 118.9 -2.375 . . . . 0.0 114.999 165.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -46.46 -44.2 17.27 Favored 'General case' 0 CA--C 1.572 1.811 0 C-N-CA 126.5 1.92 . . . . 0.0 115.879 168.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.65 -52.11 62.18 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 118.673 2.842 . . . . 0.0 118.673 165.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.349 36.5 tt0 -51.88 -60.31 3.33 Favored 'General case' 0 N--CA 1.526 3.329 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 168.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.43 HD22 ' HD2' ' A' ' 55' ' ' PHE . 1.4 tm? -49.2 -51.9 30.09 Favored 'General case' 0 CA--C 1.6 2.884 0 C-N-CA 126.215 1.806 . . . . 0.0 113.58 169.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.41 -48.65 37.01 Favored 'General case' 0 CA--C 1.566 1.559 0 CA-C-N 120.126 1.33 . . . . 0.0 113.361 172.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -53.66 -48.24 69.62 Favored 'General case' 0 CA--C 1.598 2.805 0 CA-C-O 116.148 -1.882 . . . . 0.0 113.664 169.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -56.47 -25.34 50.71 Favored 'General case' 0 N--CA 1.511 2.58 0 C-N-CA 129.174 2.99 . . . . 0.0 112.846 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.43 ' HD2' HD22 ' A' ' 51' ' ' LEU . 6.5 m-85 -136.7 100.38 10.06 Favored Pre-proline 1 CA--C 1.636 4.262 0 C-N-CA 129.521 3.128 . . . . 0.0 106.562 -161.086 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.286 26.1 Cg_endo -81.94 -27.97 2.27 Favored 'Trans proline' 0 CA--C 1.552 1.42 2 C-N-CA 131.32 8.013 . . . . 0.0 125.385 176.571 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.442 10.1 p30 -61.89 3.64 0.15 Allowed 'General case' 1 N--CA 1.547 4.377 0 C-N-CA 127.527 2.331 . . . . 0.0 117.014 175.878 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.273 6.2 p -145.85 116.23 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 124.693 1.246 . . . . 0.0 109.497 -149.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.599 ' HB ' HG22 ' A' ' 29' ' ' ILE . 84.1 m -71.08 157.2 38.6 Favored 'General case' 0 CA--C 1.585 2.317 0 CA-C-O 125.807 2.717 . . . . 0.0 109.921 166.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -144.31 136.82 26.71 Favored 'General case' 0 N--CA 1.509 2.492 0 C-N-CA 127.958 2.503 . . . . 0.0 108.476 -176.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.489 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.259 0.9 OUTLIER -157.03 156.59 33.16 Favored 'General case' 0 CA--C 1.581 2.16 0 CA-C-N 111.706 -2.497 . . . . 0.0 109.726 -173.961 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.359 42.3 pttt -143.81 108.48 4.88 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 -160.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.56 125.24 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 128.143 2.577 . . . . 0.0 108.033 175.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -78.35 90.74 4.4 Favored 'General case' 0 C--O 1.257 1.45 0 CA-C-N 110.681 -2.963 . . . . 0.0 103.959 164.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -43.94 -42.17 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.6 2.902 0 N-CA-C 121.008 3.707 . . . . 0.0 121.008 168.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.68 -44.52 37.96 Favored 'General case' 1 CA--C 1.636 4.279 0 CA-C-O 122.547 1.165 . . . . 0.0 113.763 173.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.312 0.3 OUTLIER -62.15 -39.07 91.38 Favored 'General case' 0 CA--C 1.588 2.426 0 N-CA-C 118.204 2.668 . . . . 0.0 118.204 161.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.5 mt -143.03 56.83 1.4 Allowed 'General case' 1 CA--C 1.636 4.285 0 CA-C-O 125.91 2.767 . . . . 0.0 114.879 -159.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.37 33.1 pttt -68.94 -52.13 32.45 Favored 'General case' 0 C--O 1.189 -2.095 0 CA-C-N 110.044 -3.253 . . . . 0.0 116.244 172.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.277 . . -49.16 -66.72 0.35 Allowed 'General case' 0 N--CA 1.531 3.599 0 O-C-N 126.833 2.583 . . . . 0.0 117.754 175.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.45 HG22 ' NE1' ' A' ' 75' ' ' TRP . 9.9 p -60.54 -42.98 93.43 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.907 0 CA-C-O 112.553 -3.594 . . . . 0.0 118.846 163.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . 0.28 . . -40.17 -58.42 1.48 Allowed 'General case' 0 CA--C 1.577 2.001 0 CA-C-N 124.071 3.123 . . . . 0.0 114.447 162.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . 0.315 51.7 mt-10 -48.28 -52.64 20.43 Favored 'General case' 0 N--CA 1.529 3.479 0 O-C-N 127.347 2.904 . . . . 0.0 115.651 173.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.384 0.0 OUTLIER -45.47 -51.39 11.67 Favored 'General case' 0 CA--C 1.583 2.218 0 N-CA-C 120.519 3.526 . . . . 0.0 120.519 170.106 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.45 ' NE1' HG22 ' A' ' 71' ' ' VAL . 50.1 m95 -61.5 -45.75 92.89 Favored 'General case' 0 N--CA 1.531 3.588 1 O-C-N 114.481 -5.137 . . . . 0.0 112.334 168.649 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.404 10.5 t30 151.29 81.72 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.529 1 O-C-N 129.651 4.345 . . . . 0.0 104.529 148.397 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 t -143.47 74.47 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.536 3.863 0 O-C-N 118.46 -2.65 . . . . 0.0 110.299 -173.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.405 1.9 pp20? -68.47 -1.29 6.26 Favored 'General case' 0 N--CA 1.522 3.127 0 N-CA-C 120.924 3.676 . . . . 0.0 120.924 138.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.19 123.74 7.82 Favored 'General case' 0 C--N 1.41 3.209 0 O-C-N 116.307 -3.996 . . . . 0.0 113.959 -164.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.43 ' N ' ' SD ' ' A' ' 80' ' ' MET 0.368 0.0 OUTLIER -65.81 114.97 18.46 Favored Pre-proline 0 N--CA 1.528 3.434 0 CA-C-N 111.26 -2.7 . . . . 0.0 106.52 159.981 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.417 ' HG2' ' SG ' ' A' ' 41' ' ' CYS . 80.8 Cg_endo -159.0 147.13 0.0 OUTLIER 'Cis proline' 1 C--N 1.425 4.594 0 CA-C-O 129.522 3.884 . . . . 0.0 117.917 -1.229 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.2 m -120.92 128.45 52.78 Favored 'General case' 0 CA--C 1.587 2.386 1 CA-C-N 106.859 -4.7 . . . . 0.0 107.982 -144.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -120.88 117.11 26.52 Favored 'General case' 0 C--O 1.286 3.011 2 O-C-N 134.18 7.175 . . . . 0.0 105.572 -177.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.3 mt -129.71 141.44 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.356 0 CA-C-O 126.704 3.145 . . . . 0.0 104.997 -163.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -131.67 112.83 12.9 Favored 'General case' 0 C--O 1.262 1.713 1 CA-C-N 107.134 -4.575 . . . . 0.0 103.045 -154.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.3 125.98 15.11 Favored 'General case' 0 C--N 1.414 3.405 0 CA-C-N 110.089 -3.232 . . . . 0.0 103.088 -166.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -130.42 178.15 6.82 Favored 'General case' 0 CA--C 1.592 2.573 0 CA-C-N 110.189 -3.187 . . . . 0.0 106.878 -169.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.361 4.1 p-10 -60.53 56.3 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.794 0 O-C-N 126.762 2.538 . . . . 0.0 115.536 164.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 170.11 45.06 0.03 OUTLIER Glycine 0 CA--C 1.577 3.951 0 CA-C-O 123.111 1.395 . . . . 0.0 116.494 169.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.465 ' HG3' ' H ' ' A' ' 91' ' ' LEU 0.471 0.1 OUTLIER 68.86 -167.79 0.18 Allowed 'General case' 0 N--CA 1.53 3.532 0 C-N-CA 127.932 2.493 . . . . 0.0 114.131 -173.372 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.465 ' H ' ' HG3' ' A' ' 90' ' ' LYS 0.328 12.2 tp -51.43 107.24 0.17 Allowed 'General case' 0 N--CA 1.5 2.033 0 C-N-CA 128.682 2.793 . . . . 0.0 112.055 171.427 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.251 27.4 m -84.88 -38.64 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.954 0 C-N-CA 128.306 2.642 . . . . 0.0 115.023 167.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.96 163.92 16.06 Favored 'General case' 0 N--CA 1.505 2.317 0 CA-C-N 123.525 2.875 . . . . 0.0 115.269 -174.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -155.94 131.64 9.72 Favored 'General case' 0 N--CA 1.421 -1.907 0 C-N-CA 127.288 2.235 . . . . 0.0 110.525 -176.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . 0.303 33.4 m -140.79 149.86 42.6 Favored 'General case' 0 N--CA 1.418 -2.048 1 N-CA-C 99.538 -4.245 . . . . 0.0 99.538 -170.569 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 p -150.21 97.76 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.263 1.772 0 CA-C-N 112.907 -1.951 . . . . 0.0 106.063 -176.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -171.22 -168.1 32.42 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 105.628 -2.989 . . . . 0.0 105.628 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -161.97 105.7 1.2 Allowed 'General case' 0 N--CA 1.528 3.427 0 N-CA-C 104.718 -2.327 . . . . 0.0 104.718 -174.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -151.49 125.61 9.26 Favored 'General case' 0 CA--C 1.576 1.966 0 CA-C-N 113.646 -1.616 . . . . 0.0 108.03 -171.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.478 51.8 pttt -49.16 -60.36 2.86 Favored 'General case' 0 N--CA 1.491 1.592 1 N-CA-C 124.301 4.926 . . . . 0.0 124.301 167.664 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.89 -39.68 61.36 Favored 'General case' 0 N--CA 1.526 3.34 0 C-N-CA 127.351 2.261 . . . . 0.0 115.318 167.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -44.7 -60.08 3.98 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 121.341 3.296 . . . . 0.0 121.341 173.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.6 tp -53.72 -60.36 7.38 Favored Pre-proline 0 CA--C 1.593 2.632 0 CA-C-O 115.521 -2.181 . . . . 0.0 115.299 172.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -43.14 -37.08 6.4 Favored 'Trans proline' 1 CA--C 1.642 5.916 0 C-N-CA 124.818 3.678 . . . . 0.0 121.431 159.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 92.5 m -64.86 -58.86 5.05 Favored 'General case' 0 N--CA 1.506 2.365 0 CA-C-O 114.605 -2.617 . . . . 0.0 110.035 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.2 tp -49.41 -50.08 42.08 Favored 'General case' 0 CA--C 1.585 2.289 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 169.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.297 93.2 t -63.27 -40.3 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.01 0 C-N-CA 125.739 1.615 . . . . 0.0 111.841 177.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.24 77.94 Favored 'General case' 0 C--N 1.387 2.199 0 O-C-N 118.469 -2.644 . . . . 0.0 113.702 165.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -59.88 -41.31 91.29 Favored 'General case' 0 CA--C 1.609 3.223 0 N-CA-C 117.357 2.355 . . . . 0.0 117.357 167.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -62.38 -62.72 1.56 Allowed 'General case' 0 N--CA 1.507 2.421 0 N-CA-C 117.528 2.418 . . . . 0.0 117.528 164.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.531 3.581 0 C-N-CA 128.476 2.711 . . . . 0.0 116.678 -177.852 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.25 16.3 pt-20 . . . . . 0 C--O 1.267 1.99 0 CA-C-O 123.008 1.385 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.17 172.21 50.16 Favored Glycine 0 CA--C 1.569 3.412 0 O-C-N 120.534 -1.354 . . . . 0.0 115.096 162.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -160.43 135.14 7.58 Favored 'General case' 0 CA--C 1.569 1.698 0 CA-C-N 119.66 1.73 . . . . 0.0 107.853 -169.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.0 t -90.96 121.88 41.79 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.123 0 N-CA-C 102.364 -3.199 . . . . 0.0 102.364 176.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.296 0.3 OUTLIER -115.61 125.1 72.68 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.732 0 N-CA-C 102.171 -3.27 . . . . 0.0 102.171 -176.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.77 136.67 57.61 Favored 'General case' 0 N--CA 1.516 2.862 0 CA-C-N 109.989 -3.278 . . . . 0.0 115.007 165.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.5 m -144.06 142.04 30.42 Favored 'General case' 0 CA--C 1.597 2.777 0 C-N-CA 128.146 2.578 . . . . 0.0 112.488 -171.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -151.87 -16.27 0.19 Allowed 'General case' 0 CA--C 1.598 2.821 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 -169.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.72 -171.28 3.77 Favored 'General case' 0 N--CA 1.532 3.635 0 O-C-N 118.981 -2.324 . . . . 0.0 111.468 -160.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.33 9.8 p -53.26 -33.47 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.658 0 CA-C-N 114.03 -1.441 . . . . 0.0 112.992 164.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -44.17 -56.59 3.97 Favored 'General case' 0 CA--C 1.575 1.915 0 O-C-N 118.64 -2.537 . . . . 0.0 114.907 170.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.05 -39.88 9.86 Favored 'General case' 2 N--CA 1.559 5.01 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 162.021 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -52.71 -43.71 65.85 Favored 'General case' 0 N--CA 1.533 3.689 0 CA-C-O 118.031 -0.985 . . . . 0.0 113.567 168.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -62.11 -53.45 55.19 Favored 'General case' 0 CA--C 1.583 2.224 0 N-CA-C 117.722 2.489 . . . . 0.0 117.722 162.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.311 38.0 mt-10 -51.62 -62.66 1.49 Allowed 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 128.082 2.553 . . . . 0.0 115.67 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -52.42 -61.65 2.14 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 117.295 2.332 . . . . 0.0 117.295 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -52.61 -61.96 1.95 Allowed 'General case' 0 CA--C 1.61 3.282 0 N-CA-C 117.463 2.394 . . . . 0.0 117.463 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.325 3.7 mm-40 -62.98 -46.58 87.0 Favored 'General case' 0 CA--C 1.579 2.092 0 N-CA-C 116.388 1.995 . . . . 0.0 116.388 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.288 5.5 mmtp -50.31 -66.57 0.37 Allowed 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 115.036 -2.411 . . . . 0.0 115.063 168.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.93 -94.84 0.01 OUTLIER Glycine 0 CA--C 1.555 2.558 0 N-CA-C 119.237 2.455 . . . . 0.0 119.237 165.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.387 2.3 ttmm -62.36 88.7 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 O-C-N 119.561 -2.141 . . . . 0.0 114.04 158.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.77 -49.77 0.34 Allowed Glycine 0 CA--C 1.554 2.525 0 CA-C-O 126.456 3.253 . . . . 0.0 111.369 163.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.6 m -92.75 123.31 35.94 Favored 'General case' 0 CA--C 1.566 1.582 0 C-N-CA 128.996 2.919 . . . . 0.0 105.742 -176.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -60.54 82.23 0.01 OUTLIER 'General case' 0 N--CA 1.531 3.617 0 CA-C-O 125.259 2.457 . . . . 0.0 108.249 170.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -169.96 163.36 9.46 Favored 'General case' 0 CA--C 1.583 2.23 0 CA-C-N 112.36 -2.2 . . . . 0.0 111.078 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.7 tp -84.4 155.0 22.49 Favored 'General case' 0 CA--C 1.6 2.892 0 C-N-CA 128.81 2.844 . . . . 0.0 107.433 166.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.436 HG22 ' HB ' ' A' ' 59' ' ' THR . 1.3 pt -146.61 139.57 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.363 1 N-CA-C 98.639 -4.578 . . . . 0.0 98.639 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.3 t -146.2 125.08 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 CA-C-N 112.672 -2.058 . . . . 0.0 108.308 -169.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.61 113.32 3.69 Favored 'Isoleucine or valine' 0 C--N 1.365 1.242 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.489 -154.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -70.12 149.17 47.87 Favored 'General case' 0 CA--C 1.556 1.181 1 CA-C-O 128.95 4.214 . . . . 0.0 116.004 160.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -137.06 107.89 6.64 Favored 'General case' 0 CA--C 1.584 2.288 1 N-CA-C 97.519 -4.993 . . . . 0.0 97.519 -175.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 t -156.03 146.72 21.95 Favored 'General case' 0 CA--C 1.594 2.659 0 N-CA-C 103.547 -2.76 . . . . 0.0 103.547 -169.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.84 130.37 34.9 Favored 'General case' 0 C--O 1.277 2.546 0 CA-C-N 110.195 -3.184 . . . . 0.0 108.196 169.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 t -43.55 -46.65 7.13 Favored 'General case' 1 CA--C 1.64 4.44 0 O-C-N 128.152 3.407 . . . . 0.0 117.64 172.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.9 p-90 -61.39 75.43 0.01 OUTLIER 'General case' 0 N--CA 1.534 3.76 0 O-C-N 120.534 -1.354 . . . . 0.0 113.67 161.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 42.1 t -163.95 84.44 1.28 Allowed Pre-proline 0 N--CA 1.514 2.754 0 O-C-N 120.578 -1.326 . . . . 0.0 109.469 -176.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.38 27.2 Cg_exo -50.07 -46.53 27.81 Favored 'Trans proline' 0 CA--C 1.59 3.287 0 C-N-CA 124.785 3.657 . . . . 0.0 118.388 169.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -46.28 -53.0 6.44 Favored 'Trans proline' 0 N--CA 1.496 1.628 1 C-N-CA 126.706 4.937 . . . . 0.0 116.687 167.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 51.8 m -66.21 -22.48 66.34 Favored 'General case' 0 C--O 1.282 2.802 0 N-CA-C 117.88 2.548 . . . . 0.0 117.88 165.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.339 42.8 tttp -60.57 -40.21 90.87 Favored 'General case' 0 N--CA 1.529 3.511 0 CA-C-O 125.203 2.43 . . . . 0.0 111.489 166.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.488 13.5 ptt? -66.74 -53.6 31.64 Favored 'General case' 0 CA--C 1.614 3.441 1 O-C-N 115.871 -4.268 . . . . 0.0 116.94 159.98 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.362 1.0 OUTLIER -47.98 -33.26 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.764 0 N-CA-C 120.094 3.368 . . . . 0.0 120.094 172.406 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.33 -49.87 91.17 Favored Pre-proline 0 CA--C 1.587 2.397 0 CA-C-O 113.986 -2.911 . . . . 0.0 118.166 167.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -50.26 -42.9 45.82 Favored 'Trans proline' 0 CA--C 1.601 3.859 0 N-CA-C 121.543 3.632 . . . . 0.0 121.543 155.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.372 35.7 mm -56.1 -49.91 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.29 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 171.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.34 65.9 t80 -54.35 -41.75 69.46 Favored 'General case' 0 CA--C 1.614 3.422 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 165.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.02 -47.89 75.86 Favored 'General case' 0 N--CA 1.515 2.807 0 N-CA-C 118.777 2.88 . . . . 0.0 118.777 168.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.31 -54.16 48.72 Favored 'General case' 0 N--CA 1.53 3.531 0 N-CA-C 116.34 1.978 . . . . 0.0 116.34 161.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.301 1.7 tm? -46.43 -47.79 18.94 Favored 'General case' 1 CA--C 1.63 4.057 0 N-CA-C 118.091 2.626 . . . . 0.0 118.091 163.277 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.28 -49.78 32.4 Favored 'General case' 0 N--CA 1.508 2.46 0 CA-C-N 119.89 1.223 . . . . 0.0 114.229 167.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -56.35 -46.31 80.05 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 172.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -54.43 -36.12 63.69 Favored 'General case' 0 N--CA 1.517 2.915 0 C-N-CA 127.125 2.17 . . . . 0.0 114.862 171.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -134.69 101.36 11.84 Favored Pre-proline 0 N--CA 1.499 2.006 0 O-C-N 126.179 2.175 . . . . 0.0 110.09 -156.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -82.43 -20.85 5.63 Favored 'Trans proline' 0 CA--C 1.6 3.777 1 C-N-CA 126.263 4.642 . . . . 0.0 117.846 172.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -57.49 0.03 0.06 Allowed 'General case' 1 C--O 1.316 4.567 1 O-C-N 115.601 -4.437 . . . . 0.0 118.721 173.674 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 p -149.51 119.92 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.95 0 O-C-N 127.537 3.023 . . . . 0.0 110.742 -154.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.436 ' HB ' HG22 ' A' ' 29' ' ' ILE . 42.7 m -75.37 158.3 32.96 Favored 'General case' 0 N--CA 1.501 2.075 0 C-N-CA 128.347 2.659 . . . . 0.0 109.807 167.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -149.15 136.97 20.5 Favored 'General case' 0 C--N 1.389 2.305 0 CA-C-O 125.647 2.642 . . . . 0.0 106.933 -169.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.282 0.6 OUTLIER -153.38 154.98 35.54 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 109.655 -3.429 . . . . 0.0 111.857 -175.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -144.91 116.58 8.16 Favored 'General case' 0 CA--C 1.598 2.826 0 CA-C-O 127.364 3.459 . . . . 0.0 105.724 -171.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.3 t -82.46 125.19 39.86 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.833 0 CA-C-N 110.666 -2.97 . . . . 0.0 111.603 170.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.41 104.0 0.46 Allowed 'General case' 0 CA--C 1.59 2.496 0 O-C-N 125.609 1.818 . . . . 0.0 112.6 152.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.08 -47.56 66.05 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.096 0 N-CA-C 118.279 2.696 . . . . 0.0 118.279 173.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.275 23.8 m-20 -38.88 -53.38 1.72 Allowed 'General case' 1 N--CA 1.569 5.52 0 O-C-N 119.252 -2.155 . . . . 0.0 112.104 171.812 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.8 -32.61 74.24 Favored 'General case' 0 CA--C 1.607 3.164 0 C-N-CA 129.935 3.294 . . . . 0.0 112.759 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.8 mt -148.69 57.21 1.04 Allowed 'General case' 0 N--CA 1.496 1.83 2 O-C-N 115.723 -4.361 . . . . 0.0 109.802 -169.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -72.53 -45.22 60.34 Favored 'General case' 0 C--O 1.265 1.869 0 C-N-CA 130.749 3.619 . . . . 0.0 118.14 174.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.02 -52.13 66.5 Favored 'General case' 1 N--CA 1.544 4.269 0 C-N-CA 127.065 2.146 . . . . 0.0 114.019 172.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.271 7.1 p -61.12 -50.08 82.0 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.444 0 N-CA-C 121.217 3.784 . . . . 0.0 121.217 170.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.02 -51.4 24.21 Favored 'General case' 0 CA--C 1.586 2.328 0 CA-C-O 124.601 2.143 . . . . 0.0 116.135 167.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -55.22 -50.73 68.67 Favored 'General case' 0 C--N 1.389 2.297 0 CA-C-O 114.17 -2.824 . . . . 0.0 110.313 167.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.617 3.0 pt-20 -41.67 -55.52 2.93 Favored 'General case' 0 N--CA 1.532 3.628 0 N-CA-C 121.776 3.991 . . . . 0.0 121.776 167.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -57.1 -47.85 80.07 Favored 'General case' 0 N--CA 1.522 3.135 0 N-CA-C 117.648 2.462 . . . . 0.0 117.648 166.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.298 13.1 t30 149.69 83.98 0.0 OUTLIER 'General case' 0 N--CA 1.428 -1.534 0 CA-C-O 127.089 3.328 . . . . 0.0 104.751 148.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.4 t -147.59 91.76 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.597 2.763 0 O-C-N 116.549 -3.844 . . . . 0.0 105.247 -168.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.12 13.6 28.66 Favored 'General case' 0 C--O 1.27 2.156 0 O-C-N 118.814 -2.429 . . . . 0.0 114.493 157.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -153.64 134.64 13.93 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-O 127.282 3.42 . . . . 0.0 111.821 -168.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.39 117.4 68.04 Favored Pre-proline 0 N--CA 1.514 2.733 1 CA-C-N 108.15 -4.114 . . . . 0.0 106.739 160.798 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.544 55.2 Cg_endo -148.77 154.71 0.0 OUTLIER 'Cis proline' 0 N--CA 1.532 3.79 1 C-N-CA 115.934 -4.611 . . . . 0.0 116.036 -8.749 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.4 m -125.27 116.07 21.36 Favored 'General case' 0 CA--C 1.548 0.867 1 CA-C-N 106.992 -4.64 . . . . 0.0 109.425 -147.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -88.02 130.96 34.82 Favored 'General case' 0 C--N 1.29 -2.004 0 CA-C-N 110.376 -3.102 . . . . 0.0 114.614 160.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 mt -125.79 139.71 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.399 0 N-CA-C 100.328 -3.953 . . . . 0.0 100.328 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -135.79 118.68 16.25 Favored 'General case' 0 CA--C 1.589 2.455 0 CA-C-N 111.108 -2.769 . . . . 0.0 107.199 -164.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.25 1.1 tm? -148.26 127.38 12.88 Favored 'General case' 0 C--N 1.392 2.454 1 N-CA-C 99.166 -4.383 . . . . 0.0 99.166 -164.899 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.294 24.2 tttt -109.16 172.86 6.6 Favored 'General case' 1 N--CA 1.555 4.806 0 C-N-CA 129.839 3.256 . . . . 0.0 112.432 173.777 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -52.68 16.54 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.305 1 N-CA-C 124.691 5.071 . . . . 0.0 124.691 156.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -149.77 43.99 0.73 Allowed Glycine 0 CA--C 1.542 1.769 0 C-N-CA 128.732 3.063 . . . . 0.0 112.378 -177.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.27 -171.75 0.17 Allowed 'General case' 0 CA--C 1.608 3.211 0 C-N-CA 130.497 3.519 . . . . 0.0 111.946 -177.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 tp -56.42 105.78 0.23 Allowed 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 127.834 2.454 . . . . 0.0 116.095 170.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.288 20.7 m -71.57 -55.61 13.11 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.969 0 CA-C-N 111.37 -2.65 . . . . 0.0 112.453 171.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.62 164.48 38.12 Favored 'General case' 0 C--N 1.419 3.628 0 CA-C-O 123.258 1.504 . . . . 0.0 112.225 -164.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.3 130.18 11.72 Favored 'General case' 0 CA--C 1.594 2.668 0 C-N-CA 127.281 2.232 . . . . 0.0 109.609 -175.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 37.9 m -159.91 151.62 20.12 Favored 'General case' 0 CA--C 1.598 2.811 0 C-N-CA 126.449 1.899 . . . . 0.0 107.119 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.273 1.3 p -140.73 95.44 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 N-CA-C 102.74 -3.059 . . . . 0.0 102.74 -159.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -175.23 -175.7 42.89 Favored Glycine 0 N--CA 1.508 3.464 0 CA-C-O 125.849 2.916 . . . . 0.0 109.399 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.63 120.93 12.3 Favored 'General case' 0 CA--C 1.591 2.533 0 CA-C-N 110.534 -2.833 . . . . 0.0 111.0 -176.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -173.34 130.41 0.46 Allowed 'General case' 0 CA--C 1.569 1.678 0 C-N-CA 125.367 1.467 . . . . 0.0 112.108 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.295 56.7 pttt -42.82 -56.94 2.99 Favored 'General case' 1 CA--C 1.635 4.228 0 O-C-N 126.328 2.267 . . . . 0.0 114.922 173.244 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -79.62 -40.92 28.14 Favored 'General case' 0 CA--C 1.595 2.687 1 C-N-CA 134.698 5.199 . . . . 0.0 117.667 175.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -45.71 -59.52 4.83 Favored Glycine 1 CA--C 1.594 5.024 0 O-C-N 128.505 3.628 . . . . 0.0 114.153 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.26 22.1 tp -54.21 -47.42 97.41 Favored Pre-proline 0 N--CA 1.526 3.358 0 CA-C-O 113.209 -3.281 . . . . 0.0 117.392 171.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -50.09 -39.73 50.87 Favored 'Trans proline' 0 CA--C 1.579 2.754 0 N-CA-C 122.389 3.957 . . . . 0.0 122.389 159.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.357 35.5 m -64.32 -61.53 2.18 Favored 'General case' 0 CA--C 1.569 1.687 0 C-N-CA 130.32 3.448 . . . . 0.0 111.952 175.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 20.5 tp -49.91 -48.59 51.58 Favored 'General case' 0 CA--C 1.59 2.512 0 N-CA-C 120.886 3.661 . . . . 0.0 120.886 169.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.267 97.9 t -64.99 -50.16 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.592 0 C-N-CA 127.899 2.48 . . . . 0.0 113.591 169.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.66 -63.79 0.61 Allowed 'General case' 0 N--CA 1.508 2.431 0 CA-C-N 123.002 2.637 . . . . 0.0 115.851 166.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -42.17 -49.6 4.87 Favored 'General case' 0 N--CA 1.535 3.78 0 N-CA-C 118.746 2.869 . . . . 0.0 118.746 169.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -63.91 -68.29 0.36 Allowed 'General case' 0 C--N 1.399 2.747 0 C-N-CA 126.362 1.865 . . . . 0.0 111.025 170.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.198 -1.609 1 N-CA-C 125.254 5.279 . . . . 0.0 125.254 176.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 C--O 1.186 -2.281 0 CA-C-O 126.596 3.093 . . . . 0.0 108.894 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.3 155.71 53.14 Favored Glycine 0 N--CA 1.488 2.102 0 CA-C-N 108.433 -3.985 . . . . 0.0 110.769 167.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -151.23 134.53 16.09 Favored 'General case' 0 CA--C 1.582 2.188 0 CA-C-N 112.089 -2.055 . . . . 0.0 106.826 -170.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 t -108.12 115.06 48.17 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.435 0 C-N-CA 128.879 2.872 . . . . 0.0 103.975 175.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.329 0.2 OUTLIER -117.89 119.23 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 C-N-CA 131.47 3.908 . . . . 0.0 106.388 -173.577 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.16 130.2 37.51 Favored 'General case' 0 CA--C 1.556 1.188 0 N-CA-C 118.317 2.71 . . . . 0.0 118.317 166.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.2 m -144.36 139.34 28.41 Favored 'General case' 0 N--CA 1.514 2.748 0 O-C-N 119.457 -2.027 . . . . 0.0 112.566 -162.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -148.11 -22.65 0.35 Allowed 'General case' 0 CA--C 1.605 3.067 0 CA-C-N 113.854 -1.521 . . . . 0.0 112.637 -159.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.5 p -150.46 174.02 13.39 Favored 'General case' 0 N--CA 1.521 3.079 0 O-C-N 117.953 -2.967 . . . . 0.0 106.941 -152.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.352 10.4 p -49.34 -19.11 0.5 Allowed 'Isoleucine or valine' 1 CA--C 1.638 4.331 0 N-CA-C 117.686 2.476 . . . . 0.0 117.686 167.621 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -57.34 -44.26 84.12 Favored 'General case' 0 C--N 1.368 1.376 0 CA-C-O 114.396 -2.716 . . . . 0.0 111.866 166.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.402 0.6 OUTLIER -53.24 -41.56 65.57 Favored 'General case' 0 CA--C 1.611 3.297 0 CA-C-N 123.326 2.785 . . . . 0.0 117.497 161.551 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -54.39 -36.52 64.02 Favored 'General case' 0 CA--C 1.581 2.162 0 O-C-N 126.891 2.619 . . . . 0.0 115.818 166.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.251 48.9 mtmt -56.63 -62.47 1.71 Allowed 'General case' 0 C--O 1.269 2.123 0 CA-C-N 120.164 1.347 . . . . 0.0 113.716 162.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -48.2 -61.8 1.8 Allowed 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 119.259 3.059 . . . . 0.0 119.259 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -55.26 -59.86 4.19 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 125.761 1.624 . . . . 0.0 113.547 175.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.317 56.4 t80 -56.69 -55.04 39.11 Favored 'General case' 0 CA--C 1.582 2.207 0 CA-C-O 114.115 -2.85 . . . . 0.0 117.402 175.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.315 3.9 mm-40 -48.93 -57.65 6.12 Favored 'General case' 0 N--CA 1.513 2.682 0 N-CA-C 118.501 2.778 . . . . 0.0 118.501 167.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -56.09 -58.94 5.8 Favored 'General case' 0 CA--C 1.577 2.006 0 CA-C-N 121.892 2.133 . . . . 0.0 113.695 172.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.49 -82.19 0.04 OUTLIER Glycine 0 C--O 1.196 -2.241 0 C-N-CA 126.256 1.884 . . . . 0.0 115.883 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -90.17 89.05 7.49 Favored 'General case' 0 CA--C 1.605 3.074 0 C-N-CA 131.048 3.739 . . . . 0.0 109.166 165.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.41 -30.51 0.18 Allowed Glycine 1 CA--C 1.612 6.142 0 CA-C-N 111.559 -2.564 . . . . 0.0 111.023 166.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.33 70.0 m -120.62 131.49 54.64 Favored 'General case' 0 CA--C 1.589 2.452 0 C-N-CA 129.66 3.184 . . . . 0.0 107.596 -173.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.49 77.01 0.02 OUTLIER 'General case' 0 CA--C 1.597 2.763 0 CA-C-O 123.387 1.565 . . . . 0.0 111.915 166.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -160.65 161.96 32.56 Favored 'General case' 0 CA--C 1.607 3.138 0 CA-C-N 112.873 -1.967 . . . . 0.0 108.976 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.263 23.6 tp -87.81 149.11 24.36 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 110.766 -2.925 . . . . 0.0 115.212 162.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.331 0.6 OUTLIER -142.71 120.54 7.21 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.639 0 C-N-CA 131.243 3.817 . . . . 0.0 108.372 -177.235 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.1 t -128.02 120.36 53.5 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.153 0 CA-C-O 126.859 3.218 . . . . 0.0 105.636 -169.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.9 p -143.2 109.98 1.61 Allowed 'Isoleucine or valine' 1 CA--C 1.658 5.104 0 CA-C-N 111.214 -2.721 . . . . 0.0 109.133 -156.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -71.65 144.52 49.37 Favored 'General case' 0 CA--C 1.593 2.62 0 CA-C-N 112.217 -2.265 . . . . 0.0 114.827 168.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -137.14 100.29 4.23 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 102.404 -3.184 . . . . 0.0 102.404 -175.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.4 t -145.0 148.35 33.66 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 100.887 -3.746 . . . . 0.0 100.887 -165.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.338 . . -76.52 123.28 25.82 Favored 'General case' 0 CA--C 1.625 3.86 0 CA-C-N 112.121 -2.309 . . . . 0.0 108.714 153.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 t -34.87 -52.63 0.54 Allowed 'General case' 0 C--O 1.278 2.595 0 N-CA-C 119.311 3.078 . . . . 0.0 119.311 173.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.7 p-90 -56.43 88.53 0.01 OUTLIER 'General case' 1 N--CA 1.542 4.126 0 C-N-CA 129.035 2.934 . . . . 0.0 115.197 160.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.4 t -165.5 105.49 0.75 Allowed Pre-proline 0 N--CA 1.514 2.729 0 CA-C-O 116.039 -1.934 . . . . 0.0 106.32 -177.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.268 23.2 Cg_exo -57.36 -41.07 76.65 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 125.207 3.938 . . . . 0.0 117.815 161.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.407 33.8 Cg_exo -49.9 -54.65 5.11 Favored 'Trans proline' 0 C--N 1.412 3.882 1 C-N-CA 127.056 5.171 . . . . 0.0 116.312 164.922 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.354 59.1 m -68.22 -16.52 64.01 Favored 'General case' 0 CA--C 1.563 1.473 0 N-CA-C 117.31 2.337 . . . . 0.0 117.31 165.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.394 33.6 tttp -58.57 -60.22 4.15 Favored 'General case' 0 N--CA 1.529 3.508 0 CA-C-N 122.493 2.406 . . . . 0.0 114.078 158.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.315 12.2 ptt? -47.73 -52.71 17.49 Favored 'General case' 0 C--N 1.406 3.047 1 O-C-N 115.909 -4.244 . . . . 0.0 119.02 163.431 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.417 0.8 OUTLIER -48.1 -31.61 3.08 Favored 'Isoleucine or valine' 1 N--CA 1.555 4.806 0 N-CA-C 117.313 2.338 . . . . 0.0 117.313 164.717 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.396 . . -53.3 -67.34 0.6 Allowed Pre-proline 0 CA--C 1.615 3.466 0 CA-C-N 122.934 2.606 . . . . 0.0 114.042 173.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -50.88 -42.48 51.57 Favored 'Trans proline' 1 CA--C 1.634 5.509 0 CA-C-O 113.423 -2.824 . . . . 0.0 118.644 160.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.405 28.3 mm -51.51 -53.15 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 CA-C-N 122.089 2.222 . . . . 0.0 114.332 171.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -33.86 68.98 Favored 'General case' 0 N--CA 1.524 3.235 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 170.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.306 . . -76.31 -36.15 58.45 Favored 'General case' 0 N--CA 1.418 -2.033 1 N-CA-C 123.094 4.479 . . . . 0.0 123.094 169.023 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.79 -63.02 1.44 Allowed 'General case' 0 CA--C 1.578 2.044 0 C-N-CA 126.444 1.898 . . . . 0.0 110.179 162.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.6 -48.43 14.56 Favored 'General case' 0 CA--C 1.596 2.725 0 C-N-CA 128.199 2.6 . . . . 0.0 111.497 172.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.08 -46.98 72.18 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 119.163 3.023 . . . . 0.0 119.163 168.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -56.85 -35.02 68.38 Favored 'General case' 0 N--CA 1.515 2.777 0 O-C-N 125.919 2.012 . . . . 0.0 115.778 167.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.271 29.9 ttmt -63.1 -29.95 71.21 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 119.878 3.288 . . . . 0.0 119.878 171.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -131.17 96.8 21.09 Favored Pre-proline 0 CA--C 1.574 1.871 0 C-N-CA 129.537 3.135 . . . . 0.0 114.877 -158.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.353 12.8 Cg_endo -67.67 -39.23 12.27 Favored 'Trans proline' 0 CA--C 1.599 3.761 2 C-N-CA 130.494 7.463 . . . . 0.0 126.03 174.231 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.415 10.6 p30 -62.66 -6.01 3.19 Favored 'General case' 0 CA--C 1.609 3.235 0 C-N-CA 129.352 3.061 . . . . 0.0 118.104 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.254 2.5 p -144.49 112.15 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.617 3.536 0 N-CA-C 101.998 -3.334 . . . . 0.0 101.998 -153.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.5 m -72.59 148.92 44.43 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 113.014 -1.903 . . . . 0.0 115.065 158.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -140.26 137.58 34.35 Favored 'General case' 0 CA--C 1.6 2.867 0 CA-C-O 127.709 3.623 . . . . 0.0 108.731 -171.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.341 0.7 OUTLIER -154.8 156.7 36.73 Favored 'General case' 0 CA--C 1.565 1.555 0 CA-C-N 110.94 -2.845 . . . . 0.0 110.583 -174.161 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -147.47 105.7 3.76 Favored 'General case' 0 CA--C 1.607 3.139 0 CA-C-O 128.393 3.949 . . . . 0.0 105.887 -161.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.2 t -91.69 119.05 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.561 0 CA-C-N 111.138 -2.756 . . . . 0.0 108.432 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -62.12 103.73 0.4 Allowed 'General case' 0 CA--C 1.557 1.212 0 CA-C-O 126.855 3.217 . . . . 0.0 113.087 152.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 p -52.62 -42.31 40.18 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.283 0 N-CA-C 119.579 3.177 . . . . 0.0 119.579 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.346 8.6 m-20 -39.91 -49.87 2.45 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 117.411 2.375 . . . . 0.0 117.411 174.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -73.88 -14.78 61.13 Favored 'General case' 0 CA--C 1.591 2.528 0 N-CA-C 119.384 3.105 . . . . 0.0 119.384 167.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.7 mt -154.64 50.39 0.61 Allowed 'General case' 0 CA--C 1.581 2.165 0 CA-C-O 125.46 2.552 . . . . 0.0 116.57 -166.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.348 56.9 pttt -73.55 -39.05 65.01 Favored 'General case' 0 C--N 1.296 -1.732 1 C-N-CA 131.886 4.074 . . . . 0.0 114.927 174.483 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.48 -54.43 45.89 Favored 'General case' 0 CA--C 1.568 1.654 0 O-C-N 120.654 -1.279 . . . . 0.0 112.809 174.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.298 11.1 p -58.32 -53.42 46.46 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.238 0 C-N-CA 127.271 2.228 . . . . 0.0 115.895 169.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.47 -54.27 7.68 Favored 'General case' 0 C--N 1.403 2.928 0 N-CA-C 120.428 3.492 . . . . 0.0 120.428 168.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -58.05 -47.92 81.66 Favored 'General case' 0 CA--C 1.597 2.762 1 CA-C-O 111.422 -4.132 . . . . 0.0 108.001 173.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.63 0.9 OUTLIER -46.11 -53.93 9.47 Favored 'General case' 0 C--N 1.42 3.636 0 N-CA-C 118.392 2.738 . . . . 0.0 118.392 171.012 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.322 11.1 m95 -56.33 -46.99 79.66 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 119.723 3.231 . . . . 0.0 119.723 170.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 143.06 93.81 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.92 0 C-N-CA 128.131 2.572 . . . . 0.0 106.031 150.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.6 t -144.56 76.26 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.46 0 CA-C-N 110.937 -2.847 . . . . 0.0 114.53 -173.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -63.47 -29.64 70.89 Favored 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 116.76 2.133 . . . . 0.0 116.76 152.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -133.19 134.01 43.52 Favored 'General case' 0 N--CA 1.533 3.68 0 C-N-CA 130.523 3.529 . . . . 0.0 108.137 -153.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.441 ' HA ' ' HA ' ' A' ' 81' ' ' PRO 0.302 0.1 OUTLIER -80.04 129.68 69.27 Favored Pre-proline 0 C--N 1.398 2.682 0 C-N-CA 127.91 2.484 . . . . 0.0 107.825 163.344 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 80' ' ' MET 0.252 62.1 Cg_endo -143.6 141.65 0.0 OUTLIER 'Cis proline' 0 N--CA 1.519 3.02 1 CA-C-O 134.067 5.778 . . . . 0.0 116.958 -12.512 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 96' ' ' VAL . 6.3 m -118.31 122.32 42.61 Favored 'General case' 0 C--N 1.271 -2.814 1 CA-C-N 104.032 -5.985 . . . . 0.0 112.275 -148.718 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -95.37 137.85 33.86 Favored 'General case' 0 CA--C 1.592 2.578 1 C-N-CA 134.192 4.997 . . . . 0.0 107.331 173.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 mp -131.7 128.1 59.88 Favored 'Isoleucine or valine' 0 C--O 1.302 3.854 1 CA-C-O 129.142 4.306 . . . . 0.0 106.849 -174.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -102.77 114.54 28.87 Favored 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 130.159 3.383 . . . . 0.0 105.33 -176.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.259 0.2 OUTLIER -139.08 124.95 19.75 Favored 'General case' 0 CA--C 1.609 3.214 1 N-CA-C 99.855 -4.128 . . . . 0.0 99.855 -168.561 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -125.45 171.66 10.3 Favored 'General case' 0 C--N 1.272 -2.78 0 C-N-CA 128.317 2.647 . . . . 0.0 109.016 -169.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -57.47 52.62 0.0 OUTLIER 'General case' 0 CA--C 1.602 2.944 0 O-C-N 116.86 -3.65 . . . . 0.0 116.493 145.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -177.06 41.51 0.1 OUTLIER Glycine 0 CA--C 1.57 3.497 0 CA-C-N 114.374 -1.285 . . . . 0.0 111.371 174.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.295 26.1 mtmt 56.74 -167.71 0.11 Allowed 'General case' 0 C--O 1.266 1.97 0 C-N-CA 128.718 2.807 . . . . 0.0 111.951 -175.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.6 tp -58.06 100.35 0.06 Allowed 'General case' 0 CA--C 1.58 2.11 0 CA-C-O 125.094 2.378 . . . . 0.0 111.641 171.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.8 m -76.71 -33.72 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.567 0 N-CA-C 120.291 3.441 . . . . 0.0 120.291 167.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.94 165.96 15.68 Favored 'General case' 0 C--N 1.409 3.19 0 CA-C-N 125.909 3.959 . . . . 0.0 113.054 -172.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -160.81 129.88 4.77 Favored 'General case' 0 C--N 1.381 1.959 0 CA-C-O 122.819 1.295 . . . . 0.0 112.36 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.5 m -149.59 140.45 22.78 Favored 'General case' 0 CA--C 1.591 2.557 0 CA-C-O 124.798 2.237 . . . . 0.0 107.631 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.454 ' HA ' ' HA ' ' A' ' 82' ' ' THR 0.262 0.2 OUTLIER -138.05 106.27 3.7 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.081 1 CA-C-N 107.204 -4.544 . . . . 0.0 104.421 -163.69 . . . . . . . . 5 4 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 174.57 -148.88 10.08 Favored Glycine 0 N--CA 1.503 3.101 0 N-CA-C 105.08 -3.208 . . . . 0.0 105.08 169.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -166.57 101.83 0.59 Allowed 'General case' 0 CA--C 1.616 3.513 0 CA-C-N 110.943 -2.629 . . . . 0.0 108.956 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -146.87 118.82 8.16 Favored 'General case' 0 CA--C 1.573 1.854 0 N-CA-C 101.517 -3.512 . . . . 0.0 101.517 -174.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -46.21 -39.51 9.89 Favored 'General case' 0 N--CA 1.517 2.896 0 N-CA-C 118.463 2.764 . . . . 0.0 118.463 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.271 2.6 p30 -83.09 -46.65 12.54 Favored 'General case' 0 N--CA 1.52 3.047 0 C-N-CA 129.676 3.19 . . . . 0.0 115.024 171.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -44.1 -50.14 7.74 Favored Glycine 1 CA--C 1.579 4.068 0 N-CA-C 120.84 3.096 . . . . 0.0 120.84 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.4 tp -72.23 -60.54 2.19 Favored Pre-proline 0 CA--C 1.58 2.132 0 C-N-CA 130.146 3.378 . . . . 0.0 108.622 -176.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -44.18 -42.31 13.1 Favored 'Trans proline' 0 CA--C 1.562 1.887 0 CA-C-N 125.398 2.963 . . . . 0.0 118.983 166.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 21.3 m -60.24 -61.74 2.38 Favored 'General case' 0 CA--C 1.614 3.427 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 170.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 56.7 tp -42.13 -59.23 1.84 Allowed 'General case' 1 N--CA 1.544 4.275 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 170.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.1 t -55.33 -47.68 77.68 Favored 'Isoleucine or valine' 0 C--O 1.262 1.722 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 173.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.68 -47.02 20.44 Favored 'General case' 0 CA--C 1.569 1.689 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 168.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . 0.259 67.3 mttt -58.09 -45.27 87.46 Favored 'General case' 1 CA--C 1.631 4.087 0 O-C-N 119.563 -1.961 . . . . 0.0 115.004 172.448 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -70.02 -54.75 11.8 Favored 'General case' 0 N--CA 1.514 2.768 0 N-CA-C 120.022 3.342 . . . . 0.0 120.022 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.929 1 N-CA-C 122.626 4.306 . . . . 0.0 122.626 168.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 . . . . . 0 CA--C 1.595 2.694 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.8 -179.71 5.98 Favored Glycine 1 CA--C 1.449 -4.088 0 CA-C-O 119.102 -0.832 . . . . 0.0 113.243 158.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -161.48 138.0 8.32 Favored 'General case' 0 CA--C 1.591 2.528 0 N-CA-C 104.059 -2.571 . . . . 0.0 104.059 -176.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.1 t -97.98 117.36 42.67 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.565 0 C-N-CA 131.68 3.992 . . . . 0.0 109.156 174.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -136.15 112.23 12.49 Favored 'Isoleucine or valine' 1 CA--C 1.637 4.315 0 C-N-CA 126.104 1.762 . . . . 0.0 107.358 -164.679 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.02 144.28 34.86 Favored 'General case' 0 N--CA 1.405 -2.715 0 CA-C-N 112.557 -2.111 . . . . 0.0 116.38 169.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.0 m -145.07 134.85 23.54 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 111.41 -2.632 . . . . 0.0 111.849 -166.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -150.13 -11.98 0.26 Allowed 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 113.402 -3.19 . . . . 0.0 115.833 -162.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.2 p -158.05 -172.74 4.03 Favored 'General case' 0 CA--C 1.59 2.492 0 CA-C-N 122.86 2.573 . . . . 0.0 106.556 -162.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.7 p -59.15 -15.91 8.22 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.582 0 O-C-N 117.833 -3.042 . . . . 0.0 118.398 165.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -50.97 -44.95 60.71 Favored 'General case' 0 CA--C 1.59 2.514 1 N-CA-C 122.018 4.081 . . . . 0.0 122.018 155.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.412 3.6 t -56.81 -33.83 67.1 Favored 'General case' 0 CA--C 1.613 3.401 0 N-CA-C 119.943 3.312 . . . . 0.0 119.943 158.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 28.5 m95 -54.03 -42.32 69.01 Favored 'General case' 0 CA--C 1.608 3.194 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 161.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -52.59 -56.02 18.27 Favored 'General case' 0 N--CA 1.523 3.191 0 C-N-CA 127.028 2.131 . . . . 0.0 112.347 162.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -57.57 -70.34 0.13 Allowed 'General case' 0 CA--C 1.574 1.889 1 N-CA-C 122.887 4.403 . . . . 0.0 122.887 170.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -51.86 -58.22 7.08 Favored 'General case' 0 N--CA 1.5 2.056 0 CA-C-O 125.417 2.532 . . . . 0.0 116.26 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -56.04 -57.42 12.2 Favored 'General case' 0 N--CA 1.482 1.132 1 N-CA-C 124.981 5.178 . . . . 0.0 124.981 171.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.347 1.7 mm-40 -63.55 -50.81 68.03 Favored 'General case' 0 CA--C 1.588 2.425 0 C-N-CA 129.757 3.223 . . . . 0.0 117.478 176.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.304 33.9 mmtp -51.6 -65.94 0.47 Allowed 'General case' 0 CA--C 1.592 2.592 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 155.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.0 -92.56 0.01 OUTLIER Glycine 0 N--CA 1.512 3.751 0 N-CA-C 117.479 1.751 . . . . 0.0 117.479 175.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -65.73 96.5 0.28 Allowed 'General case' 0 CA--C 1.61 3.287 0 CA-C-N 123.013 3.407 . . . . 0.0 108.069 156.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.96 -63.72 0.3 Allowed Glycine 0 CA--C 1.575 3.811 0 CA-C-N 110.506 -3.043 . . . . 0.0 112.371 162.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.5 m -85.51 124.13 31.73 Favored 'General case' 0 C--N 1.287 -2.148 1 CA-C-N 106.105 -5.047 . . . . 0.0 105.082 -176.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -67.86 78.09 0.21 Allowed 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 112.343 -2.208 . . . . 0.0 116.664 173.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -151.44 177.62 10.11 Favored 'General case' 0 C--N 1.382 1.982 0 C-N-CA 129.704 3.202 . . . . 0.0 108.322 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.0 tp -108.17 153.51 23.07 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 129.74 3.216 . . . . 0.0 106.316 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.365 2.8 pt -146.5 135.55 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.843 0 C-N-CA 129.346 3.058 . . . . 0.0 104.037 -176.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.5 t -140.69 129.57 25.3 Favored 'Isoleucine or valine' 0 C--O 1.266 1.957 1 N-CA-C 100.163 -4.014 . . . . 0.0 100.163 -168.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.383 7.1 p -144.35 115.59 2.3 Favored 'Isoleucine or valine' 1 N--CA 1.567 5.4 0 O-C-N 118.622 -2.549 . . . . 0.0 109.155 -154.857 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -76.79 141.81 40.59 Favored 'General case' 0 CA--C 1.581 2.143 0 CA-C-N 112.677 -2.056 . . . . 0.0 111.069 163.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -137.4 105.59 5.72 Favored 'General case' 0 CA--C 1.578 2.042 1 C-N-CA 132.306 4.242 . . . . 0.0 100.806 175.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.9 t -149.31 153.22 37.16 Favored 'General case' 0 C--N 1.283 -2.314 1 O-C-N 130.106 4.629 . . . . 0.0 103.416 -168.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.293 . . -77.81 139.08 39.28 Favored 'General case' 0 C--O 1.29 3.2 0 C-N-CA 127.714 2.405 . . . . 0.0 110.398 159.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.9 t -51.42 -38.85 55.68 Favored 'General case' 0 N--CA 1.525 3.281 0 CA-C-O 128.375 3.94 . . . . 0.0 118.851 169.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -72.85 84.25 1.22 Allowed 'General case' 0 C--N 1.279 -2.473 0 CA-C-N 110.28 -3.146 . . . . 0.0 115.978 170.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 41.9 t -166.04 92.62 0.82 Allowed Pre-proline 1 N--CA 1.543 4.206 0 CA-C-O 116.18 -1.867 . . . . 0.0 108.89 -173.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.34 33.1 Cg_exo -47.28 -45.32 22.46 Favored 'Trans proline' 0 N--CA 1.523 3.259 0 N-CA-C 118.065 2.294 . . . . 0.0 118.065 164.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -46.42 -56.99 2.5 Favored 'Trans proline' 0 CA--C 1.573 2.461 0 N-CA-C 118.255 2.367 . . . . 0.0 118.255 162.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.473 ' HA ' HG22 ' A' ' 44' ' ' ILE 0.428 4.8 m -64.02 -23.97 67.54 Favored 'General case' 0 CA--C 1.574 1.869 0 N-CA-C 119.675 3.213 . . . . 0.0 119.675 170.309 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -57.57 -42.08 82.34 Favored 'General case' 0 N--CA 1.524 3.23 0 N-CA-C 117.471 2.397 . . . . 0.0 117.471 162.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.445 17.0 ptt? -63.83 -52.08 61.8 Favored 'General case' 0 CA--C 1.617 3.531 0 N-CA-C 119.355 3.094 . . . . 0.0 119.355 156.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 41' ' ' CYS 0.521 1.1 tp -43.66 -40.38 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.385 2.117 1 N-CA-C 121.812 4.005 . . . . 0.0 121.812 169.434 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.67 -62.88 3.81 Favored Pre-proline 0 C--O 1.265 1.889 1 CA-C-O 109.665 -4.969 . . . . 0.0 109.807 170.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -46.27 -39.95 21.63 Favored 'Trans proline' 0 CA--C 1.572 2.383 2 C-N-CA 127.772 5.648 . . . . 0.0 116.31 167.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.329 50.4 mm -55.37 -60.3 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 CA-C-N 122.518 2.417 . . . . 0.0 114.589 168.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -53.79 -36.27 62.25 Favored 'General case' 0 CA--C 1.623 3.766 0 C-N-CA 128.387 2.675 . . . . 0.0 110.762 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.68 -57.73 9.99 Favored 'General case' 0 C--N 1.368 1.384 0 N-CA-C 118.878 2.918 . . . . 0.0 118.878 162.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.66 -48.35 63.43 Favored 'General case' 0 C--O 1.261 1.688 0 O-C-N 117.909 -2.994 . . . . 0.0 117.347 168.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.92 -35.64 58.65 Favored 'General case' 0 CA--C 1.57 1.721 0 N-CA-C 117.362 2.356 . . . . 0.0 117.362 163.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . 0.272 . . -63.51 -47.82 80.12 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 126.859 2.063 . . . . 0.0 116.427 166.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -51.96 -34.49 42.37 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 117.762 2.504 . . . . 0.0 117.762 162.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.428 31.7 ttmt -64.97 -36.21 83.67 Favored 'General case' 0 C--N 1.392 2.437 0 N-CA-C 119.259 3.059 . . . . 0.0 119.259 169.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -130.99 89.8 41.42 Favored Pre-proline 0 CA--C 1.626 3.881 0 C-N-CA 130.095 3.358 . . . . 0.0 110.946 -154.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.385 63.0 Cg_endo -62.44 -34.66 75.63 Favored 'Trans proline' 1 CA--C 1.613 4.458 2 C-N-CA 130.91 7.74 . . . . 0.0 122.867 167.706 . . . . . . . . 4 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.517 HD21 ' HB1' ' A' ' 111' ' ' ALA 0.403 4.8 p30 -61.56 -11.7 12.32 Favored 'General case' 0 C--O 1.268 2.03 0 N-CA-C 121.37 3.841 . . . . 0.0 121.37 176.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.278 6.5 p -139.74 107.24 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 -145.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.8 m -65.57 157.61 29.31 Favored 'General case' 0 CA--C 1.584 2.28 0 N-CA-C 114.598 1.332 . . . . 0.0 114.598 161.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -149.58 126.96 11.46 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 108.855 -3.793 . . . . 0.0 106.679 -169.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.445 0.4 OUTLIER -143.01 147.58 35.35 Favored 'General case' 0 CA--C 1.609 3.223 0 CA-C-N 111.466 -2.606 . . . . 0.0 107.803 -168.349 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.455 33.3 pttt -139.07 108.53 6.15 Favored 'General case' 0 CA--C 1.622 3.746 0 N-CA-C 103.471 -2.789 . . . . 0.0 103.471 -170.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.5 t -89.63 127.38 42.3 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.35 0 CA-C-N 110.202 -3.181 . . . . 0.0 107.396 172.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -75.61 115.08 14.91 Favored 'General case' 0 C--N 1.39 2.343 0 CA-C-N 110.87 -2.877 . . . . 0.0 107.911 157.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.273 0.4 OUTLIER -53.93 -44.07 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 118.085 2.624 . . . . 0.0 118.085 163.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -50.96 -41.06 59.0 Favored 'General case' 1 N--CA 1.543 4.194 0 O-C-N 126.962 2.664 . . . . 0.0 115.557 171.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -47.59 80.47 Favored 'General case' 0 N--CA 1.514 2.746 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 155.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.4 mt -144.16 63.52 1.33 Allowed 'General case' 0 CA--C 1.605 3.094 1 CA-C-O 131.211 5.291 . . . . 0.0 111.984 -162.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.297 54.1 pttt -66.33 -47.51 73.26 Favored 'General case' 0 CA--C 1.573 1.854 0 CA-C-N 109.346 -3.57 . . . . 0.0 118.914 169.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.18 -60.05 3.92 Favored 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 118.565 2.802 . . . . 0.0 118.565 172.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.391 8.7 p -57.58 -50.25 77.87 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.741 0 CA-C-O 116.877 -1.535 . . . . 0.0 114.318 169.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.5 -48.15 38.24 Favored 'General case' 0 N--CA 1.506 2.332 0 CA-C-N 125.346 3.703 . . . . 0.0 118.403 172.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -52.05 -51.05 60.07 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-N 112.703 -2.044 . . . . 0.0 112.251 169.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.513 0.0 OUTLIER -48.19 -55.6 10.0 Favored 'General case' 0 N--CA 1.519 3.02 0 N-CA-C 119.057 2.984 . . . . 0.0 119.057 173.449 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -55.31 -50.36 69.78 Favored 'General case' 0 N--CA 1.514 2.735 0 O-C-N 126.8 2.562 . . . . 0.0 110.181 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.465 11.3 t30 150.86 88.42 0.0 OUTLIER 'General case' 0 C--O 1.263 1.808 0 C-N-CA 127.287 2.235 . . . . 0.0 107.318 154.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.3 t -147.9 83.72 0.11 Allowed 'Isoleucine or valine' 1 CA--C 1.648 4.75 1 N-CA-C 99.646 -4.205 . . . . 0.0 99.646 -166.332 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -81.67 7.44 12.36 Favored 'General case' 0 N--CA 1.424 -1.755 0 N-CA-C 119.808 3.262 . . . . 0.0 119.808 152.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -162.96 131.96 4.08 Favored 'General case' 1 CA--C 1.677 5.854 0 O-C-N 117.109 -3.494 . . . . 0.0 114.962 -171.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -75.06 112.87 20.05 Favored Pre-proline 0 CA--C 1.614 3.415 0 CA-C-O 112.591 -3.576 . . . . 0.0 112.682 165.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.378 96.1 Cg_endo -150.55 144.47 0.0 OUTLIER 'Cis proline' 0 C--N 1.396 3.03 0 N-CA-C 121.938 3.784 . . . . 0.0 121.938 -4.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.9 m -115.94 135.97 53.48 Favored 'General case' 0 N--CA 1.53 3.533 1 CA-C-N 107.62 -4.355 . . . . 0.0 107.198 -147.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -120.75 117.07 26.5 Favored 'General case' 0 N--CA 1.489 1.476 1 CA-C-N 106.424 -4.898 . . . . 0.0 101.733 -169.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.304 14.5 mt -126.75 135.54 63.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 2 CA-C-O 129.762 4.601 . . . . 0.0 106.11 -165.683 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -122.69 108.66 13.32 Favored 'General case' 0 CA--C 1.574 1.875 0 CA-C-N 109.736 -3.393 . . . . 0.0 105.87 -163.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.87 132.37 34.47 Favored 'General case' 0 N--CA 1.422 -1.826 0 CA-C-O 128.382 3.944 . . . . 0.0 104.78 -170.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -134.29 174.29 10.68 Favored 'General case' 0 CA--C 1.577 1.993 0 CA-C-N 111.142 -2.754 . . . . 0.0 111.319 -168.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.339 4.1 p-10 -57.97 44.94 0.0 OUTLIER 'General case' 0 CA--C 1.58 2.109 0 N-CA-C 120.556 3.539 . . . . 0.0 120.556 151.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.69 51.16 0.11 Allowed Glycine 1 CA--C 1.593 4.962 0 C-N-CA 126.389 1.947 . . . . 0.0 110.129 175.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.272 18.9 mtmt 49.87 -157.11 0.09 Allowed 'General case' 0 C--N 1.426 3.921 0 C-N-CA 129.537 3.135 . . . . 0.0 113.543 -176.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.3 tp -60.65 105.49 0.45 Allowed 'General case' 0 CA--C 1.613 3.399 0 O-C-N 118.121 -2.862 . . . . 0.0 108.674 172.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.383 35.3 m -76.31 -43.38 36.72 Favored 'Isoleucine or valine' 0 C--O 1.275 2.443 0 CA-C-O 113.726 -3.035 . . . . 0.0 117.155 165.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -170.82 169.69 6.78 Favored 'General case' 0 C--O 1.271 2.195 0 CA-C-N 122.228 2.285 . . . . 0.0 112.515 -176.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -158.75 139.89 13.06 Favored 'General case' 0 CA--C 1.617 3.528 0 CA-C-O 125.375 2.512 . . . . 0.0 108.559 -176.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.4 m -154.39 152.78 30.6 Favored 'General case' 0 CA--C 1.576 1.973 1 CA-C-N 107.498 -4.41 . . . . 0.0 105.618 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.65 102.8 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.468 0 O-C-N 126.256 2.223 . . . . 0.0 110.906 -165.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -168.3 -141.26 3.14 Favored Glycine 0 C--O 1.288 3.502 0 C-N-CA 117.196 -2.43 . . . . 0.0 111.818 -174.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 177.45 114.55 0.03 OUTLIER 'General case' 0 N--CA 1.524 3.273 0 N-CA-C 100.322 -3.955 . . . . 0.0 100.322 169.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . 0.267 5.8 t0 -161.18 130.55 4.73 Favored 'General case' 0 N--CA 1.522 3.155 0 N-CA-C 102.74 -3.059 . . . . 0.0 102.74 -177.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.278 56.7 pttt -59.05 -53.58 56.75 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-N 109.099 -3.682 . . . . 0.0 116.831 172.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.319 3.2 p30 -71.39 -46.64 59.81 Favored 'General case' 0 N--CA 1.406 -2.647 0 O-C-N 118.937 -2.352 . . . . 0.0 113.024 168.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -42.21 -53.77 4.76 Favored Glycine 1 CA--C 1.594 4.97 1 N-CA-C 125.691 5.036 . . . . 0.0 125.691 179.973 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.06 -51.54 54.8 Favored Pre-proline 0 CA--C 1.585 2.304 0 CA-C-O 113.976 -2.916 . . . . 0.0 116.127 171.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -48.16 -38.26 32.51 Favored 'Trans proline' 0 CA--C 1.552 1.382 0 CA-C-N 127.33 3.654 . . . . 0.0 120.404 157.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.341 26.2 m -64.48 -54.35 33.9 Favored 'General case' 0 CA--C 1.592 2.588 0 O-C-N 119.082 -2.261 . . . . 0.0 113.955 175.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.0 tp -55.89 -38.07 69.69 Favored 'General case' 1 N--CA 1.542 4.173 0 N-CA-C 121.227 3.788 . . . . 0.0 121.227 167.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.47 -50.06 77.86 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.664 0 C-N-CA 129.696 3.198 . . . . 0.0 116.154 168.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.68 -55.87 19.51 Favored 'General case' 0 C--N 1.277 -2.585 0 C-N-CA 126.087 1.755 . . . . 0.0 111.046 171.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -47.25 -46.17 24.31 Favored 'General case' 0 CA--C 1.621 3.71 0 O-C-N 119.384 -2.073 . . . . 0.0 115.486 168.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.44 46.6 m-70 -64.38 -52.25 59.2 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 119.659 3.207 . . . . 0.0 119.659 173.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.517 ' HB1' HD21 ' A' ' 57' ' ' ASN . . . . . . . . 0 CA--C 1.592 2.589 0 CA-C-O 112.956 -3.402 . . . . 0.0 117.185 164.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 N--CA 1.517 2.915 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.36 157.51 53.46 Favored Glycine 0 C--N 1.374 2.655 0 CA-C-O 126.437 3.243 . . . . 0.0 113.494 157.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -149.45 133.77 17.4 Favored 'General case' 0 CA--C 1.592 2.587 0 CA-C-N 112.267 -1.967 . . . . 0.0 108.026 -170.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.7 t -95.16 128.19 46.54 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-O 126.956 3.265 . . . . 0.0 105.424 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.29 0.5 OUTLIER -126.93 120.61 56.14 Favored 'Isoleucine or valine' 0 CA--C 1.609 3.239 0 C-N-CA 129.632 3.173 . . . . 0.0 104.065 -173.197 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.407 ' O ' ' SG ' ' A' ' 9' ' ' CYS . . . -59.22 147.19 36.44 Favored 'General case' 0 N--CA 1.506 2.357 0 CA-C-O 124.439 2.066 . . . . 0.0 111.905 165.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 8' ' ' ALA . 78.6 m -150.36 135.66 17.94 Favored 'General case' 0 CA--C 1.594 2.639 0 C-N-CA 125.199 1.4 . . . . 0.0 113.026 -172.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -151.16 -14.45 0.21 Allowed 'General case' 0 C--N 1.387 2.227 0 O-C-N 126.624 2.453 . . . . 0.0 112.503 -164.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.2 p -146.5 -177.29 5.55 Favored 'General case' 0 CA--C 1.6 2.887 0 CA-C-N 123.131 2.696 . . . . 0.0 110.47 -155.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -55.6 -17.84 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.259 0 O-C-N 126.975 2.672 . . . . 0.0 117.656 154.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.97 -41.69 62.33 Favored 'General case' 0 CA--C 1.614 3.415 0 N-CA-C 116.252 1.945 . . . . 0.0 116.252 167.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.416 ' HG1' HD13 ' A' ' 61' ' ' LEU 0.289 0.7 OUTLIER -62.64 -38.62 90.98 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 164.959 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -52.21 -49.96 62.9 Favored 'General case' 0 CA--C 1.569 1.681 0 O-C-N 118.635 -2.541 . . . . 0.0 114.628 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -58.46 -47.65 83.31 Favored 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 165.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.283 38.5 mt-10 -58.42 -65.08 0.71 Allowed 'General case' 0 CA--C 1.619 3.618 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 174.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -47.6 -64.74 0.71 Allowed 'General case' 0 CA--C 1.591 2.525 0 N-CA-C 117.895 2.554 . . . . 0.0 117.895 175.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.252 1.1 t80 -54.52 -59.36 4.8 Favored 'General case' 0 CA--C 1.62 3.67 0 N-CA-C 120.677 3.584 . . . . 0.0 120.677 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.18 -42.24 90.35 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -63.32 -63.08 1.29 Allowed 'General case' 0 CA--C 1.578 2.021 0 CA-C-N 122.219 2.281 . . . . 0.0 111.832 170.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.0 -75.75 0.2 Allowed Glycine 0 CA--C 1.569 3.411 0 O-C-N 120.897 -1.127 . . . . 0.0 115.475 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -79.73 91.31 5.28 Favored 'General case' 0 CA--C 1.62 3.657 0 CA-C-O 125.616 2.626 . . . . 0.0 106.511 161.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.4 -29.29 0.51 Allowed Glycine 0 C--O 1.293 3.817 0 N-CA-C 120.016 2.767 . . . . 0.0 120.016 162.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.1 m -119.29 138.26 53.13 Favored 'General case' 0 C--O 1.27 2.171 0 CA-C-N 110.87 -2.665 . . . . 0.0 106.188 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.341 0.2 OUTLIER -64.23 74.85 0.04 OUTLIER 'General case' 0 CA--C 1.592 2.594 0 CA-C-N 112.283 -2.235 . . . . 0.0 115.3 169.454 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.298 15.5 ptpt -158.54 154.03 26.0 Favored 'General case' 0 C--O 1.277 2.532 0 C-N-CA 126.553 1.941 . . . . 0.0 110.062 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 tp -86.17 153.52 21.99 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 124.628 2.156 . . . . 0.0 106.51 160.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.1 pt -149.5 137.53 14.31 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.723 0 N-CA-C 102.345 -3.206 . . . . 0.0 102.345 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.2 t -138.59 131.72 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 CA-C-N 110.473 -3.058 . . . . 0.0 105.737 -162.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.9 p -150.86 113.69 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.458 0 CA-C-O 123.345 1.545 . . . . 0.0 112.559 -158.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -77.15 133.14 39.05 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 129.542 3.137 . . . . 0.0 112.504 171.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -113.87 110.3 19.9 Favored 'General case' 0 C--O 1.276 2.472 0 CA-C-N 109.25 -3.614 . . . . 0.0 103.888 170.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -153.8 136.06 14.89 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 100.681 -3.822 . . . . 0.0 100.681 -171.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.25 153.8 39.26 Favored 'General case' 0 N--CA 1.388 -3.526 0 CA-C-N 109.8 -3.364 . . . . 0.0 116.979 150.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.1 t -55.34 -44.08 75.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 125.939 2.024 . . . . 0.0 115.42 162.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.403 40.5 p-90 -62.44 58.98 0.01 OUTLIER 'General case' 0 N--CA 1.525 3.309 1 CA-C-O 128.888 4.185 . . . . 0.0 115.994 165.536 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.4 t -153.95 81.02 4.8 Favored Pre-proline 0 N--CA 1.488 1.439 0 O-C-N 117.407 -3.308 . . . . 0.0 109.444 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.322 16.8 Cg_exo -47.35 -36.02 22.19 Favored 'Trans proline' 1 CA--C 1.619 4.746 0 N-CA-C 121.564 3.64 . . . . 0.0 121.564 160.932 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.78 -37.38 84.57 Favored 'Trans proline' 0 CA--C 1.584 3.003 0 C-N-CA 124.973 3.782 . . . . 0.0 120.422 158.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.616 ' HA ' HG22 ' A' ' 44' ' ' ILE 0.463 72.9 m -75.53 -28.29 59.03 Favored 'General case' 0 CA--C 1.593 2.602 0 N-CA-C 119.926 3.306 . . . . 0.0 119.926 162.075 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.32 37.2 tttp -60.07 -39.17 85.11 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 166.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.447 9.7 ptt? -60.5 -47.93 83.99 Favored 'General case' 1 N--CA 1.544 4.247 0 N-CA-C 119.325 3.083 . . . . 0.0 119.325 153.619 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.616 HG22 ' HA ' ' A' ' 41' ' ' CYS 0.603 1.1 tp -54.42 -42.9 60.89 Favored 'Isoleucine or valine' 0 C--O 1.283 2.856 1 N-CA-C 122.535 4.272 . . . . 0.0 122.535 178.512 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.85 -53.52 64.04 Favored Pre-proline 0 C--N 1.381 1.959 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 167.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -46.46 -41.86 23.12 Favored 'Trans proline' 0 CA--C 1.567 2.137 0 N-CA-C 121.206 3.502 . . . . 0.0 121.206 161.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mm -58.22 -60.46 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.647 0 O-C-N 117.729 -3.107 . . . . 0.0 113.766 164.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -44.99 -33.57 2.08 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 168.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.94 -51.9 42.3 Favored 'General case' 0 CA--C 1.587 2.384 0 O-C-N 118.505 -2.622 . . . . 0.0 115.137 166.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.01 -50.48 68.92 Favored 'General case' 0 N--CA 1.518 2.961 0 CA-C-O 115.9 -2.0 . . . . 0.0 115.804 171.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.0 -44.25 74.35 Favored 'General case' 1 CA--C 1.635 4.245 0 C-N-CA 126.201 1.8 . . . . 0.0 115.848 163.318 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.35 -43.76 75.33 Favored 'General case' 0 CA--C 1.617 3.524 0 O-C-N 119.119 -2.238 . . . . 0.0 116.328 171.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -58.06 -35.75 71.8 Favored 'General case' 0 CA--C 1.628 3.961 0 O-C-N 128.435 3.584 . . . . 0.0 117.003 166.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -63.24 -40.82 98.51 Favored 'General case' 0 CA--C 1.582 2.184 0 O-C-N 119.586 -1.946 . . . . 0.0 114.654 173.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -131.82 81.05 64.18 Favored Pre-proline 0 CA--C 1.609 3.247 0 O-C-N 126.629 2.455 . . . . 0.0 105.791 -147.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -56.67 -38.1 96.33 Favored 'Trans proline' 0 C--N 1.386 2.539 1 C-N-CA 125.521 4.147 . . . . 0.0 122.272 177.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.551 HD21 ' HB1' ' A' ' 111' ' ' ALA 0.295 9.3 p30 -57.27 1.1 0.04 OUTLIER 'General case' 0 CA--C 1.606 3.114 0 N-CA-C 118.821 2.897 . . . . 0.0 118.821 -178.584 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.485 3.2 p -140.19 110.16 3.71 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.687 0 C-N-CA 126.711 2.004 . . . . 0.0 115.501 -152.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . 0.286 90.8 m -64.97 143.31 58.04 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 118.199 -2.813 . . . . 0.0 113.661 161.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -138.64 129.48 26.53 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 126.653 3.12 . . . . 0.0 106.211 -169.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.416 HD13 ' HG1' ' A' ' 14' ' ' THR 0.277 0.6 OUTLIER -152.19 156.1 39.11 Favored 'General case' 0 C--N 1.36 1.056 0 O-C-N 118.684 -2.51 . . . . 0.0 108.524 -171.24 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -148.98 113.85 5.41 Favored 'General case' 0 N--CA 1.526 3.375 0 O-C-N 118.916 -2.365 . . . . 0.0 106.202 -164.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . 0.326 44.4 t -92.47 109.97 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.619 3.611 0 O-C-N 127.447 2.967 . . . . 0.0 108.964 -174.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -70.27 99.45 1.54 Allowed 'General case' 0 CA--C 1.583 2.216 0 N-CA-C 103.426 -2.805 . . . . 0.0 103.426 163.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.327 0.3 OUTLIER -53.86 -30.12 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.931 1 N-CA-C 123.007 4.447 . . . . 0.0 123.007 176.248 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.51 -44.33 62.54 Favored 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 117.211 2.3 . . . . 0.0 117.211 171.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.345 10.0 mm-40 -59.16 -42.26 90.32 Favored 'General case' 0 CA--C 1.625 3.842 0 N-CA-C 120.199 3.407 . . . . 0.0 120.199 162.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.5 mt -139.91 52.19 1.7 Allowed 'General case' 1 CA--C 1.641 4.48 0 CA-C-O 125.067 2.365 . . . . 0.0 109.691 -153.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -76.2 -41.58 49.03 Favored 'General case' 0 C--O 1.252 1.211 0 CA-C-O 113.886 -2.959 . . . . 0.0 118.624 172.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.92 -57.0 11.77 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 128.622 3.701 . . . . 0.0 115.128 173.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.9 p -58.12 -50.19 79.02 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.881 1 N-CA-C 123.413 4.598 . . . . 0.0 123.413 163.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.92 -55.65 2.44 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 117.581 2.437 . . . . 0.0 117.581 163.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -47.06 -54.78 9.55 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-O 112.975 -3.393 . . . . 0.0 117.938 164.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.472 2.1 pt-20 -49.14 -51.02 34.72 Favored 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 175.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -58.64 -49.85 76.01 Favored 'General case' 0 C--N 1.377 1.783 0 CA-C-O 113.072 -3.346 . . . . 0.0 115.166 165.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.8 t30 157.34 84.51 0.0 OUTLIER 'General case' 0 CA--C 1.599 2.837 0 CA-C-N 123.545 2.884 . . . . 0.0 106.283 153.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.0 t -150.91 94.34 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.186 -2.254 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 -164.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.59 -5.91 56.75 Favored 'General case' 0 N--CA 1.526 3.364 0 C-N-CA 131.237 3.815 . . . . 0.0 112.742 164.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.57 131.59 19.27 Favored 'General case' 0 CA--C 1.604 3.049 0 O-C-N 125.547 1.779 . . . . 0.0 114.196 -152.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.77 115.09 32.25 Favored Pre-proline 0 N--CA 1.512 2.637 0 CA-C-O 114.86 -2.495 . . . . 0.0 111.499 152.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -150.71 143.97 0.0 OUTLIER 'Cis proline' 1 C--N 1.443 5.502 1 CA-C-O 133.537 5.557 . . . . 0.0 120.212 -4.353 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.4 m -126.57 135.04 50.74 Favored 'General case' 0 C--O 1.279 2.609 0 CA-C-N 109.185 -3.643 . . . . 0.0 106.311 -140.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -132.39 106.25 7.77 Favored 'General case' 0 N--CA 1.499 2.003 0 CA-C-N 108.814 -3.812 . . . . 0.0 108.867 -165.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.382 17.6 mt -109.9 146.24 15.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 1 C-N-CA 132.357 4.263 . . . . 0.0 106.647 -171.541 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -136.57 104.72 5.65 Favored 'General case' 0 CA--C 1.582 2.177 0 CA-C-N 108.575 -3.92 . . . . 0.0 104.577 -159.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.48 125.76 35.19 Favored 'General case' 0 CA--C 1.586 2.339 2 N-CA-C 96.019 -5.549 . . . . 0.0 96.019 -166.035 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -118.28 172.3 7.54 Favored 'General case' 0 CA--C 1.568 1.663 1 CA-C-N 106.328 -4.942 . . . . 0.0 111.398 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.333 5.1 p-10 -59.7 47.45 0.01 OUTLIER 'General case' 0 CA--C 1.626 3.868 0 N-CA-C 119.636 3.199 . . . . 0.0 119.636 148.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.26 30.93 0.19 Allowed Glycine 0 N--CA 1.513 3.785 0 O-C-N 127.733 3.145 . . . . 0.0 112.01 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.474 48.0 mtmt 59.57 -151.22 0.42 Allowed 'General case' 1 CA--C 1.64 4.412 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -165.552 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.5 tp -72.87 89.92 1.42 Allowed 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.367 22.8 m -63.63 -29.24 46.75 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 N-CA-C 118.756 2.872 . . . . 0.0 118.756 171.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -165.82 170.04 14.32 Favored 'General case' 0 CA--C 1.573 1.828 0 CA-C-N 121.685 2.039 . . . . 0.0 112.718 -177.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -165.95 130.96 2.35 Favored 'General case' 0 CA--C 1.576 1.954 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 176.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 87.1 m -145.74 157.63 43.92 Favored 'General case' 0 CA--C 1.619 3.61 0 N-CA-C 102.717 -3.068 . . . . 0.0 102.717 -172.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.278 0.2 OUTLIER -150.17 107.9 0.43 Allowed 'Isoleucine or valine' 0 C--O 1.292 3.32 0 N-CA-C 100.939 -3.726 . . . . 0.0 100.939 -168.405 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -179.27 -158.01 20.77 Favored Glycine 0 C--N 1.393 3.705 0 CA-C-N 114.023 -1.444 . . . . 0.0 109.968 174.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -167.34 116.67 0.83 Allowed 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -161.57 122.18 2.69 Favored 'General case' 0 CA--C 1.602 2.969 0 C-N-CA 127.299 2.24 . . . . 0.0 108.44 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.326 38.2 pttt -45.28 -33.4 2.39 Favored 'General case' 1 CA--C 1.639 4.402 1 N-CA-C 123.065 4.469 . . . . 0.0 123.065 170.908 . . . . . . . . 4 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -105.55 -47.07 4.01 Favored 'General case' 0 CA--C 1.561 1.402 1 C-N-CA 132.397 4.279 . . . . 0.0 114.652 -176.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -49.72 -43.57 38.1 Favored Glycine 0 CA--C 1.544 1.879 0 O-C-N 126.449 2.343 . . . . 0.0 117.917 173.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.429 34.4 tp -62.3 -60.73 9.24 Favored Pre-proline 0 N--CA 1.501 2.09 1 CA-C-O 111.588 -4.053 . . . . 0.0 110.899 171.756 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . 0.252 32.3 Cg_exo -44.49 -41.88 14.06 Favored 'Trans proline' 1 CA--C 1.608 4.18 0 C-N-CA 124.836 3.691 . . . . 0.0 114.82 170.897 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.322 37.0 m -58.2 -47.23 84.11 Favored 'General case' 0 CA--C 1.593 2.627 0 N-CA-C 118.517 2.784 . . . . 0.0 118.517 174.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.305 49.6 tp -60.13 -61.36 2.66 Favored 'General case' 0 CA--C 1.564 1.482 0 CA-C-N 108.899 -3.773 . . . . 0.0 113.075 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 51.7 t -58.32 -36.86 60.12 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.614 0 N-CA-C 117.689 2.477 . . . . 0.0 117.689 169.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.09 -57.34 4.55 Favored 'General case' 0 CA--C 1.562 1.423 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 162.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -52.33 -49.27 64.61 Favored 'General case' 0 CA--C 1.579 2.064 0 N-CA-C 120.672 3.582 . . . . 0.0 120.672 166.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -60.6 -59.66 5.04 Favored 'General case' 0 CA--C 1.602 2.943 0 C-N-CA 126.71 2.004 . . . . 0.0 112.446 171.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.551 ' HB1' HD21 ' A' ' 57' ' ' ASN . . . . . . . . 0 CA--C 1.581 2.135 0 N-CA-C 118.778 2.881 . . . . 0.0 118.778 171.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 CA--C 1.576 1.968 0 CA-C-O 119.177 -0.44 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.01 174.99 51.14 Favored Glycine 1 N--CA 1.532 5.067 1 O-C-N 129.167 4.042 . . . . 0.0 111.486 163.035 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -159.28 126.52 4.74 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 125.197 2.427 . . . . 0.0 107.733 -171.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.3 t -84.47 124.46 39.85 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.392 0 C-N-CA 129.792 3.237 . . . . 0.0 111.001 170.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.41 0.3 OUTLIER -126.13 114.52 38.96 Favored 'Isoleucine or valine' 1 CA--C 1.63 4.027 0 C-N-CA 130.268 3.427 . . . . 0.0 112.601 -179.629 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.41 137.38 52.97 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 118.388 -2.695 . . . . 0.0 112.557 165.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.1 m -149.28 131.11 15.13 Favored 'General case' 0 N--CA 1.493 1.724 1 CA-C-O 128.517 4.008 . . . . 0.0 106.696 -161.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -145.79 -15.38 0.48 Allowed 'General case' 0 CA--C 1.577 2.006 0 O-C-N 118.585 -2.572 . . . . 0.0 117.652 -160.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.9 p -149.79 -170.67 3.7 Favored 'General case' 0 CA--C 1.595 2.681 0 C-N-CA 125.205 1.402 . . . . 0.0 108.223 -163.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.256 8.4 p -61.09 -12.19 5.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 N-CA-C 120.17 3.396 . . . . 0.0 120.17 161.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.59 -54.69 33.89 Favored 'General case' 0 N--CA 1.523 3.182 0 O-C-N 119.869 -1.77 . . . . 0.0 114.825 163.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.488 ' HG1' HD13 ' A' ' 61' ' ' LEU 0.268 1.1 t -48.43 -41.82 30.48 Favored 'General case' 0 CA--C 1.578 2.052 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 165.047 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -52.59 -50.54 62.82 Favored 'General case' 0 CA--C 1.567 1.621 0 O-C-N 118.214 -2.804 . . . . 0.0 112.222 173.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.297 29.6 mtmt -48.28 -51.56 25.22 Favored 'General case' 0 CA--C 1.599 2.831 0 N-CA-C 118.306 2.706 . . . . 0.0 118.306 164.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -65.33 -60.55 2.85 Favored 'General case' 0 N--CA 1.535 3.782 0 N-CA-C 115.219 1.563 . . . . 0.0 115.219 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.4 ' O ' HD13 ' A' ' 29' ' ' ILE . 40.7 t-80 -51.49 -62.25 1.74 Allowed 'General case' 0 CA--C 1.591 2.546 0 C-N-CA 126.956 2.102 . . . . 0.0 114.265 176.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.89 -58.76 6.28 Favored 'General case' 0 CA--C 1.62 3.648 0 N-CA-C 120.128 3.381 . . . . 0.0 120.128 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.311 52.3 mm-40 -54.6 -47.08 73.82 Favored 'General case' 0 N--CA 1.509 2.507 0 CA-C-O 115.251 -2.309 . . . . 0.0 114.266 168.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -52.35 -60.19 3.52 Favored 'General case' 0 CA--C 1.617 3.527 0 CA-C-N 122.109 2.231 . . . . 0.0 116.078 165.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.36 -86.61 0.02 OUTLIER Glycine 0 N--CA 1.491 2.313 0 C-N-CA 125.129 1.347 . . . . 0.0 116.174 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -75.84 99.39 4.45 Favored 'General case' 0 C--O 1.196 -1.737 0 CA-C-O 125.083 2.373 . . . . 0.0 105.103 163.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.16 -48.46 0.48 Allowed Glycine 1 CA--C 1.623 6.797 0 C-N-CA 126.912 2.196 . . . . 0.0 112.994 161.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m -92.91 122.71 35.56 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 128.447 2.699 . . . . 0.0 105.174 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -58.87 77.51 0.01 OUTLIER 'General case' 0 N--CA 1.521 3.109 0 CA-C-O 125.471 2.558 . . . . 0.0 113.233 169.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -165.05 171.35 14.0 Favored 'General case' 0 C--O 1.273 2.301 0 CA-C-N 113.522 -1.672 . . . . 0.0 109.358 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.2 tp -94.26 150.58 20.17 Favored 'General case' 0 CA--C 1.604 3.028 0 CA-C-O 126.633 3.111 . . . . 0.0 107.394 165.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.4 HD13 ' O ' ' A' ' 18' ' ' HIS 0.292 1.0 OUTLIER -139.97 144.18 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.856 1 CA-C-N 107.802 -4.272 . . . . 0.0 102.718 178.683 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.7 t -146.02 136.06 18.02 Favored 'Isoleucine or valine' 0 C--O 1.249 1.076 0 O-C-N 126.727 2.517 . . . . 0.0 106.808 -171.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 6.0 p -152.48 116.7 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.403 2.917 0 CA-C-O 125.121 2.391 . . . . 0.0 113.857 -164.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -78.41 129.61 35.14 Favored 'General case' 0 CA--C 1.569 1.689 0 CA-C-O 125.982 2.801 . . . . 0.0 106.797 168.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -114.85 103.55 11.06 Favored 'General case' 0 CA--C 1.594 2.66 1 N-CA-C 99.425 -4.287 . . . . 0.0 99.425 169.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.1 t -148.81 150.51 33.17 Favored 'General case' 0 C--O 1.264 1.857 0 N-CA-C 101.054 -3.684 . . . . 0.0 101.054 -169.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.52 152.49 22.17 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 128.175 2.59 . . . . 0.0 111.088 172.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.6 t -56.13 -39.06 71.67 Favored 'General case' 0 CA--C 1.582 2.18 0 N-CA-C 117.867 2.544 . . . . 0.0 117.867 158.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -62.07 71.84 0.02 OUTLIER 'General case' 0 C--O 1.193 -1.89 0 N-CA-C 117.367 2.358 . . . . 0.0 117.367 154.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.0 t -168.63 96.67 0.55 Allowed Pre-proline 1 N--CA 1.544 4.273 0 C-N-CA 127.514 2.325 . . . . 0.0 112.914 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -65.38 -44.38 9.03 Favored 'Trans proline' 0 N--CA 1.531 3.695 1 C-N-CA 126.924 5.083 . . . . 0.0 112.613 165.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -46.78 -49.71 11.85 Favored 'Trans proline' 0 CA--C 1.583 2.928 0 N-CA-C 121.851 3.751 . . . . 0.0 121.851 165.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.454 60.4 m -70.79 -18.02 62.76 Favored 'General case' 0 N--CA 1.508 2.434 1 N-CA-C 121.822 4.008 . . . . 0.0 121.822 159.749 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -55.84 -53.88 51.37 Favored 'General case' 0 N--CA 1.52 3.047 0 O-C-N 118.419 -2.676 . . . . 0.0 114.859 160.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.323 24.9 ptt? -59.85 -40.37 88.34 Favored 'General case' 0 N--CA 1.525 3.291 0 N-CA-C 118.707 2.855 . . . . 0.0 118.707 163.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.593 1.0 OUTLIER -52.18 -35.07 18.72 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.202 0 N-CA-C 119.853 3.279 . . . . 0.0 119.853 163.405 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.268 . . -48.59 -73.0 0.12 Allowed Pre-proline 0 N--CA 1.524 3.27 0 O-C-N 118.765 -2.46 . . . . 0.0 111.167 169.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -46.58 -33.61 13.53 Favored 'Trans proline' 0 N--CA 1.501 1.963 1 N-CA-C 125.946 5.325 . . . . 0.0 125.946 162.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.527 19.4 mm -51.49 -63.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.378 1.813 0 N-CA-C 119.086 2.995 . . . . 0.0 119.086 163.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.33 68.3 t80 -46.7 -42.84 17.2 Favored 'General case' 0 CA--C 1.605 3.093 0 CA-C-N 110.413 -3.085 . . . . 0.0 115.063 171.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.333 . . -56.52 -52.77 63.51 Favored 'General case' 0 CA--C 1.612 3.33 1 N-CA-C 124.608 5.04 . . . . 0.0 124.608 160.214 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -59.6 -51.42 69.89 Favored 'General case' 0 C--N 1.378 1.836 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 171.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.281 1.2 tm? -51.98 -40.35 60.79 Favored 'General case' 0 N--CA 1.509 2.488 0 N-CA-C 117.079 2.251 . . . . 0.0 117.079 161.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.43 -36.57 73.82 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 117.884 2.55 . . . . 0.0 117.884 166.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -66.06 -34.96 79.26 Favored 'General case' 1 N--CA 1.552 4.651 0 N-CA-C 117.798 2.518 . . . . 0.0 117.798 167.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -69.68 -28.76 66.12 Favored 'General case' 0 CA--C 1.574 1.866 0 CA-C-N 110.877 -2.874 . . . . 0.0 116.528 172.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -137.04 102.8 9.05 Favored Pre-proline 0 CA--C 1.627 3.916 0 C-N-CA 131.486 3.914 . . . . 0.0 111.77 -159.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.353 0.3 OUTLIER -64.37 -38.67 33.02 Favored 'Trans proline' 0 C--N 1.41 3.796 2 N-CA-C 131.61 7.504 . . . . 0.0 131.61 175.442 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.587 HD21 ' HB1' ' A' ' 111' ' ' ALA 0.286 9.4 p30 -65.11 2.08 0.85 Allowed 'General case' 0 N--CA 1.515 2.815 0 C-N-CA 131.337 3.855 . . . . 0.0 115.875 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.306 7.4 p -144.49 102.13 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.609 3.218 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -148.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . 0.33 11.9 m -62.89 154.56 29.81 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 118.794 2.887 . . . . 0.0 118.794 149.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -145.79 132.61 20.07 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 112.324 -2.217 . . . . 0.0 107.365 -165.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.488 HD13 ' HG1' ' A' ' 14' ' ' THR . 0.7 OUTLIER -153.51 151.38 29.75 Favored 'General case' 0 C--N 1.365 1.259 0 N-CA-C 104.315 -2.476 . . . . 0.0 104.315 -165.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.286 44.7 pttt -144.77 113.67 6.84 Favored 'General case' 0 C--O 1.262 1.713 0 C-N-CA 125.755 1.622 . . . . 0.0 109.961 -170.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.5 t -89.46 113.34 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.75 1 C-N-CA 132.585 4.354 . . . . 0.0 110.898 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -59.46 104.72 0.29 Allowed 'General case' 0 N--CA 1.519 3.006 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 151.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.9 p -56.09 -43.6 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.724 0 C-N-CA 125.255 1.422 . . . . 0.0 114.757 174.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -45.7 -38.03 6.44 Favored 'General case' 0 N--CA 1.519 2.986 0 CA-C-N 122.221 2.282 . . . . 0.0 113.518 172.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -63.2 -48.07 79.89 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 125.388 1.475 . . . . 0.0 114.26 166.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.7 mt -139.45 52.91 1.72 Allowed 'General case' 0 CA--C 1.581 2.141 0 C-N-CA 129.12 2.968 . . . . 0.0 111.362 -157.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -73.74 -49.23 26.55 Favored 'General case' 0 CA--C 1.582 2.205 0 C-N-CA 128.754 2.821 . . . . 0.0 110.016 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.93 -57.07 7.05 Favored 'General case' 0 C--N 1.397 2.651 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.412 12.3 p -52.44 -50.36 39.24 Favored 'Isoleucine or valine' 0 C--N 1.378 1.829 0 N-CA-C 121.001 3.704 . . . . 0.0 121.001 161.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.92 -49.66 29.34 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 117.751 -3.093 . . . . 0.0 112.901 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -53.67 -53.6 49.68 Favored 'General case' 0 N--CA 1.503 2.181 0 CA-C-O 113.312 -3.232 . . . . 0.0 109.943 170.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.798 1.2 pt-20 -44.61 -58.59 2.93 Favored 'General case' 0 C--O 1.275 2.431 0 N-CA-C 120.234 3.42 . . . . 0.0 120.234 175.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -58.0 -43.29 86.55 Favored 'General case' 0 N--CA 1.497 1.924 1 O-C-N 115.357 -4.59 . . . . 0.0 115.221 171.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.292 8.9 t30 146.53 86.73 0.0 OUTLIER 'General case' 0 CA--C 1.614 3.416 0 CA-C-O 126.083 2.849 . . . . 0.0 103.486 146.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . 0.387 7.4 t -134.45 73.78 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.611 3.321 0 CA-C-N 112.323 -2.217 . . . . 0.0 110.636 -174.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.297 0.0 OUTLIER -64.47 -19.74 65.75 Favored 'General case' 0 CA--C 1.587 2.387 0 N-CA-C 120.804 3.631 . . . . 0.0 120.804 148.184 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.04 141.49 23.37 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 124.044 1.878 . . . . 0.0 110.295 -160.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.06 119.51 73.46 Favored Pre-proline 0 N--CA 1.499 1.987 0 CA-C-N 110.164 -3.198 . . . . 0.0 106.241 171.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.341 9.0 Cg_endo -157.5 149.85 0.0 OUTLIER 'Cis proline' 0 C--N 1.399 3.235 0 N-CA-C 120.362 3.178 . . . . 0.0 120.362 -3.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.2 m -118.9 112.46 19.68 Favored 'General case' 0 N--CA 1.496 1.839 2 CA-C-N 103.725 -6.125 . . . . 0.0 105.95 -142.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -93.21 120.21 33.24 Favored 'General case' 0 C--O 1.302 3.817 0 O-C-N 127.492 2.995 . . . . 0.0 106.263 169.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -108.29 144.62 16.56 Favored 'Isoleucine or valine' 1 CA--C 1.633 4.156 0 C-N-CA 130.541 3.537 . . . . 0.0 109.095 179.535 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -128.66 111.52 13.26 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 100.771 -3.788 . . . . 0.0 100.771 -161.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.35 127.09 20.45 Favored 'General case' 0 CA--C 1.566 1.568 1 CA-C-O 131.603 5.478 . . . . 0.0 103.658 -169.421 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -128.09 176.26 7.77 Favored 'General case' 0 C--O 1.282 2.809 1 O-C-N 114.914 -4.866 . . . . 0.0 110.366 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -60.81 41.04 0.01 OUTLIER 'General case' 1 N--CA 1.545 4.281 0 CA-C-O 127.121 3.343 . . . . 0.0 119.809 157.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.48 44.65 0.39 Allowed Glycine 0 N--CA 1.493 2.442 0 CA-C-N 112.787 -2.006 . . . . 0.0 111.6 177.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.297 51.6 mtmt 50.9 -157.06 0.11 Allowed 'General case' 0 N--CA 1.527 3.385 0 C-N-CA 125.428 1.491 . . . . 0.0 113.114 -172.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.4 tp -66.76 92.96 0.23 Allowed 'General case' 0 CA--C 1.594 2.657 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 170.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.4 m -68.31 -30.16 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 1 N-CA-C 122.585 4.291 . . . . 0.0 122.585 170.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -168.0 164.23 13.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.047 -1.658 . . . . 0.0 113.222 -177.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . 0.337 18.0 pttm -157.01 139.16 14.56 Favored 'General case' 0 CA--C 1.609 3.215 0 C-N-CA 126.09 1.756 . . . . 0.0 110.033 -173.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 38.1 m -162.52 149.02 12.98 Favored 'General case' 0 C--N 1.288 -2.079 0 CA-C-O 124.622 2.153 . . . . 0.0 109.435 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.82 99.39 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.514 2.737 0 CA-C-O 126.75 3.166 . . . . 0.0 109.41 -163.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -166.05 -149.43 5.91 Favored Glycine 0 C--O 1.273 2.55 0 O-C-N 117.923 -2.986 . . . . 0.0 115.575 -177.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -176.83 102.65 0.06 Allowed 'General case' 0 CA--C 1.556 1.195 0 CA-C-N 122.935 3.367 . . . . 0.0 109.03 177.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -165.74 132.35 2.7 Favored 'General case' 0 CA--C 1.58 2.122 0 CA-C-N 120.982 1.719 . . . . 0.0 109.133 -173.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.431 36.5 pttt -47.39 -66.38 0.41 Allowed 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 119.145 3.017 . . . . 0.0 119.145 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.398 9.4 p-10 -56.89 -43.15 81.01 Favored 'General case' 0 CA--C 1.591 2.557 0 N-CA-C 116.669 2.1 . . . . 0.0 116.669 167.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -39.83 -81.36 0.03 OUTLIER Glycine 1 N--CA 1.529 4.854 0 N-CA-C 117.949 1.94 . . . . 0.0 117.949 174.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.298 57.8 tp -37.69 -57.34 1.58 Allowed Pre-proline 0 N--CA 1.508 2.45 1 N-CA-C 123.891 4.774 . . . . 0.0 123.891 172.75 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -43.31 -47.72 8.74 Favored 'Trans proline' 0 CA--C 1.588 3.222 0 C-N-CA 124.11 3.207 . . . . 0.0 119.369 160.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.472 89.7 m -52.08 -60.26 3.41 Favored 'General case' 0 N--CA 1.52 3.036 0 N-CA-C 116.75 2.13 . . . . 0.0 116.75 170.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 45.8 tp -53.41 -59.66 4.29 Favored 'General case' 0 CA--C 1.573 1.837 0 C-N-CA 128.267 2.627 . . . . 0.0 115.088 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.282 84.0 t -45.64 -55.38 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.517 2.91 0 O-C-N 117.681 -3.137 . . . . 0.0 116.04 166.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.69 -52.93 10.14 Favored 'General case' 0 C--N 1.368 1.396 0 N-CA-C 119.254 3.057 . . . . 0.0 119.254 169.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -46.13 -52.15 12.72 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 117.208 2.299 . . . . 0.0 117.208 161.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -57.81 -71.18 0.11 Allowed 'General case' 0 CA--C 1.615 3.476 0 N-CA-C 117.515 2.413 . . . . 0.0 117.515 174.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.587 ' HB1' HD21 ' A' ' 57' ' ' ASN 0.274 . . . . . . . 0 CA--C 1.586 2.355 0 N-CA-C 119.324 3.083 . . . . 0.0 119.324 177.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 . . . . . 0 N--CA 1.514 2.757 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.92 -176.5 42.49 Favored Glycine 0 CA--C 1.549 2.161 0 CA-C-N 112.199 -2.273 . . . . 0.0 114.159 153.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -156.86 157.45 34.94 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-O 125.108 2.385 . . . . 0.0 111.201 -170.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.9 t -125.16 121.67 61.3 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.626 0 C-N-CA 129.122 2.969 . . . . 0.0 105.969 -161.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.1 125.29 51.31 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.125 0 N-CA-C 102.469 -3.16 . . . . 0.0 102.469 -165.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.86 141.15 51.27 Favored 'General case' 0 C--O 1.246 0.892 0 N-CA-C 119.335 3.087 . . . . 0.0 119.335 163.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.446 ' SG ' HD13 ' A' ' 61' ' ' LEU . 62.2 m -146.67 132.57 19.1 Favored 'General case' 0 CA--C 1.595 2.686 0 CA-C-O 127.395 3.474 . . . . 0.0 106.565 -166.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -141.46 -4.32 1.13 Allowed 'General case' 0 N--CA 1.507 2.423 0 CA-C-N 108.717 -3.856 . . . . 0.0 119.046 -170.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.3 p -149.77 -169.37 3.36 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 119.465 -2.022 . . . . 0.0 112.265 -157.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.359 14.5 p -56.89 -13.97 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.539 3.984 1 N-CA-C 121.917 4.043 . . . . 0.0 121.917 153.137 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.265 76.5 m-20 -48.49 -48.62 37.85 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 118.637 2.829 . . . . 0.0 118.637 169.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.294 6.6 t -63.26 -31.27 72.38 Favored 'General case' 0 CA--C 1.603 3.018 0 CA-C-N 111.824 -2.444 . . . . 0.0 116.059 169.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . 0.253 19.4 m95 -54.25 -41.79 69.19 Favored 'General case' 0 CA--C 1.593 2.611 0 O-C-N 118.685 -2.51 . . . . 0.0 117.131 165.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -61.88 -54.86 36.24 Favored 'General case' 2 N--CA 1.54 4.075 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 159.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.318 33.8 mt-10 -56.28 -63.67 1.11 Allowed 'General case' 0 CA--C 1.575 1.915 1 N-CA-C 126.739 5.829 . . . . 0.0 126.739 175.661 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -53.06 -62.71 1.48 Allowed 'General case' 0 CA--C 1.592 2.593 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 173.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.406 1.1 t80 -50.52 -58.85 4.82 Favored 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 174.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.369 39.2 mm-40 -61.07 -60.38 3.86 Favored 'General case' 0 CA--C 1.571 1.78 0 C-N-CA 127.985 2.514 . . . . 0.0 115.142 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -47.26 -56.91 5.86 Favored 'General case' 0 N--CA 1.5 2.025 0 CA-C-N 122.86 2.573 . . . . 0.0 112.099 167.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.59 -95.31 0.01 OUTLIER Glycine 1 CA--C 1.61 5.974 1 C-N-CA 130.723 4.011 . . . . 0.0 111.592 -177.976 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -70.53 100.33 1.79 Allowed 'General case' 0 C--N 1.383 2.055 0 CA-C-O 122.817 1.294 . . . . 0.0 110.527 157.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.34 -41.31 0.51 Allowed Glycine 0 CA--C 1.552 2.4 0 CA-C-N 112.671 -2.059 . . . . 0.0 114.517 160.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.8 m -106.65 124.77 50.11 Favored 'General case' 0 CA--C 1.605 3.071 0 O-C-N 129.314 3.597 . . . . 0.0 106.843 -172.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -65.62 75.65 0.07 Allowed 'General case' 0 N--CA 1.506 2.36 0 CA-C-N 113.498 -1.683 . . . . 0.0 114.582 167.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.284 0.1 OUTLIER -158.25 164.02 36.87 Favored 'General case' 0 CA--C 1.627 3.908 0 N-CA-C 102.334 -3.21 . . . . 0.0 102.334 -178.526 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.34 31.8 tp -89.31 152.85 21.31 Favored 'General case' 0 C--O 1.266 1.94 0 CA-C-N 110.195 -3.184 . . . . 0.0 111.966 161.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.332 1.4 pt -148.87 133.78 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 C-N-CA 129.843 3.257 . . . . 0.0 104.229 -175.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -139.14 140.25 38.45 Favored 'Isoleucine or valine' 0 CA--C 1.629 3.999 0 CA-C-O 126.717 3.151 . . . . 0.0 102.924 -173.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.7 p -150.96 109.16 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.452 0 CA-C-O 124.279 1.99 . . . . 0.0 110.329 -164.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -66.68 136.95 56.3 Favored 'General case' 0 CA--C 1.573 1.86 0 C-N-CA 127.228 2.211 . . . . 0.0 114.218 158.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -135.54 93.61 2.98 Favored 'General case' 0 CA--C 1.561 1.394 0 N-CA-C 102.682 -3.081 . . . . 0.0 102.682 -169.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.1 t -135.72 151.63 50.34 Favored 'General case' 0 C--O 1.272 2.238 0 CA-C-O 127.9 3.714 . . . . 0.0 103.722 -161.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.86 128.58 33.52 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 110.866 -2.879 . . . . 0.0 114.295 158.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.298 8.0 t -47.32 -33.9 6.24 Favored 'General case' 0 N--CA 1.517 2.885 0 N-CA-C 120.021 3.341 . . . . 0.0 120.021 172.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 54.1 p-90 -83.91 90.24 7.36 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 128.577 2.751 . . . . 0.0 105.309 166.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.496 ' SG ' ' HD2' ' A' ' 40' ' ' PRO . 53.4 t -170.06 95.92 0.48 Allowed Pre-proline 0 CA--C 1.565 1.524 0 CA-C-O 113.46 -3.162 . . . . 0.0 110.772 174.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -53.03 -42.25 65.91 Favored 'Trans proline' 1 CA--C 1.633 5.458 0 N-CA-C 120.074 3.067 . . . . 0.0 120.074 159.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.496 ' HD2' ' SG ' ' A' ' 38' ' ' CYS . 24.2 Cg_exo -53.74 -50.54 13.4 Favored 'Trans proline' 1 CA--C 1.611 4.336 0 C-N-CA 124.294 3.329 . . . . 0.0 116.027 168.756 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.636 66.7 m -62.66 -28.06 69.67 Favored 'General case' 0 CA--C 1.582 2.178 1 N-CA-C 124.791 5.108 . . . . 0.0 124.791 160.256 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -56.16 -51.62 67.33 Favored 'General case' 0 CA--C 1.572 1.818 0 CA-C-O 112.466 -3.635 . . . . 0.0 115.802 163.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.354 11.6 ptt? -63.18 -35.16 79.37 Favored 'General case' 0 N--CA 1.502 2.139 1 N-CA-C 122.394 4.22 . . . . 0.0 122.394 159.484 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.581 1.0 OUTLIER -54.58 -38.37 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 166.415 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.261 . . -50.21 -56.81 15.52 Favored Pre-proline 0 C--O 1.186 -2.254 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 165.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -48.52 -40.94 37.39 Favored 'Trans proline' 0 N--CA 1.507 2.311 2 O-C-N 113.173 -4.172 . . . . 0.0 121.304 161.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.38 40.4 mm -51.06 -55.57 7.08 Favored 'Isoleucine or valine' 0 C--N 1.392 2.422 1 O-C-N 115.215 -4.678 . . . . 0.0 115.412 162.292 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.31 -31.97 70.78 Favored 'General case' 0 C--N 1.395 2.546 0 C-N-CA 127.527 2.331 . . . . 0.0 116.199 171.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.36 . . -68.5 -55.49 11.57 Favored 'General case' 0 C--O 1.276 2.498 0 N-CA-C 117.535 2.42 . . . . 0.0 117.535 163.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.256 7.1 tm-20 -50.83 -58.26 6.39 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 118.254 -2.779 . . . . 0.0 116.919 167.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.5 -47.35 14.16 Favored 'General case' 0 CA--C 1.571 1.768 0 O-C-N 127.358 2.911 . . . . 0.0 115.262 169.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.01 -44.27 74.39 Favored 'General case' 0 CA--C 1.559 1.304 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 168.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -56.4 -38.44 71.52 Favored 'General case' 0 N--CA 1.504 2.24 0 CA-C-O 127.891 3.71 . . . . 0.0 117.652 168.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -62.07 -30.07 70.74 Favored 'General case' 0 CA--C 1.608 3.184 1 O-C-N 116.164 -4.085 . . . . 0.0 118.359 166.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -136.97 98.51 10.48 Favored Pre-proline 1 CA--C 1.633 4.165 0 C-N-CA 127.489 2.315 . . . . 0.0 113.688 -156.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.516 0.1 OUTLIER -66.37 -35.26 31.94 Favored 'Trans proline' 0 N--CA 1.512 2.59 2 C-N-CA 131.969 8.446 . . . . 0.0 129.911 -179.294 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.447 7.4 p30 -69.71 -2.82 12.92 Favored 'General case' 0 N--CA 1.503 2.217 0 C-N-CA 128.34 2.656 . . . . 0.0 114.511 -176.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.353 2.6 p -140.57 118.54 9.91 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.141 0 CA-C-O 115.927 -1.987 . . . . 0.0 108.716 -142.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.5 m -88.83 146.84 24.73 Favored 'General case' 0 CA--C 1.597 2.769 0 C-N-CA 130.122 3.369 . . . . 0.0 102.602 174.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -133.35 126.92 32.4 Favored 'General case' 0 C--O 1.266 1.957 0 C-N-CA 130.901 3.68 . . . . 0.0 109.975 -176.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.446 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.433 0.4 OUTLIER -149.43 139.8 22.35 Favored 'General case' 0 N--CA 1.533 3.69 0 O-C-N 120.619 -1.3 . . . . 0.0 109.731 -164.215 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -138.36 120.33 15.49 Favored 'General case' 0 CA--C 1.577 2.013 0 N-CA-C 104.98 -2.23 . . . . 0.0 104.98 -156.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.9 t -127.26 119.77 53.4 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.02 0 N-CA-C 101.449 -3.537 . . . . 0.0 101.449 -157.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -63.71 108.22 1.37 Allowed 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 111.923 -2.399 . . . . 0.0 110.7 161.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.262 0.8 OUTLIER -60.05 -37.93 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.916 0 C-N-CA 125.799 1.64 . . . . 0.0 114.781 178.272 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -48.57 -47.86 39.3 Favored 'General case' 0 CA--C 1.565 1.551 0 N-CA-C 119.699 3.222 . . . . 0.0 119.699 168.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -67.28 -34.55 77.63 Favored 'General case' 0 CA--C 1.58 2.114 0 N-CA-C 121.043 3.72 . . . . 0.0 121.043 159.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.6 mt -141.83 61.29 1.46 Allowed 'General case' 0 CA--C 1.59 2.509 0 CA-C-O 125.472 2.558 . . . . 0.0 110.854 -163.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -80.0 -41.18 26.35 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 112.394 -2.184 . . . . 0.0 115.623 172.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.335 . . -54.52 -59.52 4.59 Favored 'General case' 0 CA--C 1.605 3.077 0 CA-C-N 121.455 1.934 . . . . 0.0 114.92 175.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.288 7.7 p -56.65 -57.93 7.48 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.672 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 169.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.25 -45.37 2.9 Favored 'General case' 0 N--CA 1.536 3.867 0 N-CA-C 120.401 3.482 . . . . 0.0 120.401 168.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -54.41 -54.1 45.26 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 127.241 2.216 . . . . 0.0 111.382 168.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.71 -51.22 40.2 Favored 'General case' 0 C--N 1.415 3.443 0 C-N-CA 128.702 2.801 . . . . 0.0 115.207 171.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.459 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 37.7 m95 -55.01 -57.06 13.25 Favored 'General case' 0 CA--C 1.601 2.925 0 CA-C-N 123.973 3.078 . . . . 0.0 109.942 171.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 75' ' ' TRP . 5.4 t30 154.73 89.5 0.0 OUTLIER 'General case' 1 N--CA 1.562 5.147 0 O-C-N 127.383 2.927 . . . . 0.0 103.725 155.625 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 t -151.13 67.71 0.06 OUTLIER 'Isoleucine or valine' 1 N--CA 1.546 4.356 0 CA-C-O 124.652 2.168 . . . . 0.0 107.268 -168.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.34 2.0 pp20? -68.28 -8.53 40.29 Favored 'General case' 0 CA--C 1.599 2.856 0 N-CA-C 120.579 3.548 . . . . 0.0 120.579 149.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.92 139.71 38.11 Favored 'General case' 0 CA--C 1.582 2.186 0 C-N-CA 130.129 3.372 . . . . 0.0 112.523 -165.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.16 121.79 73.98 Favored Pre-proline 0 N--CA 1.532 3.627 0 O-C-N 128.417 3.573 . . . . 0.0 105.373 162.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.429 25.7 Cg_endo -151.94 134.34 0.0 OUTLIER 'Cis proline' 1 N--CA 1.543 4.405 0 N-CA-C 120.181 3.108 . . . . 0.0 120.181 -12.608 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . 0.39 7.3 m -97.97 132.94 43.1 Favored 'General case' 0 C--O 1.176 -2.786 3 CA-C-N 105.508 -5.315 . . . . 0.0 110.935 -154.437 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -111.85 125.1 53.66 Favored 'General case' 0 C--O 1.289 3.15 1 CA-C-N 107.62 -4.355 . . . . 0.0 108.231 162.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.1 mt -123.28 133.66 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.437 1 O-C-N 134.729 7.518 . . . . 0.0 105.803 -176.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -114.73 112.23 22.5 Favored 'General case' 0 CA--C 1.603 2.996 0 N-CA-C 100.352 -3.944 . . . . 0.0 100.352 -165.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.33 118.57 19.6 Favored 'General case' 0 CA--C 1.622 3.731 1 N-CA-C 99.99 -4.078 . . . . 0.0 99.99 -177.044 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.25 45.8 tttt -102.15 174.51 5.89 Favored 'General case' 0 CA--C 1.569 1.702 0 C-N-CA 131.08 3.752 . . . . 0.0 112.277 175.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.268 4.2 p-10 -53.83 45.06 0.0 OUTLIER 'General case' 0 CA--C 1.623 3.76 0 N-CA-C 120.153 3.39 . . . . 0.0 120.153 151.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -173.67 47.1 0.15 Allowed Glycine 1 CA--C 1.601 5.418 0 C-N-CA 125.627 1.584 . . . . 0.0 115.684 176.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.354 9.9 mptt 51.2 -167.42 0.04 OUTLIER 'General case' 0 CA--C 1.596 2.728 0 C-N-CA 127.04 2.136 . . . . 0.0 110.755 -169.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.1 tp -53.46 109.94 0.5 Allowed 'General case' 0 N--CA 1.51 2.575 0 O-C-N 117.764 -3.085 . . . . 0.0 111.698 175.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.53 26.2 m -77.44 -53.13 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.614 0 CA-C-N 108.688 -3.869 . . . . 0.0 112.456 167.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -166.15 172.05 11.67 Favored 'General case' 1 N--CA 1.557 4.893 0 O-C-N 117.684 -3.135 . . . . 0.0 108.659 -172.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -161.97 136.87 7.11 Favored 'General case' 0 CA--C 1.615 3.479 0 CA-C-N 112.215 -2.266 . . . . 0.0 110.475 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 92.7 m -144.31 159.49 42.61 Favored 'General case' 0 CA--C 1.601 2.94 0 C-N-CA 127.13 2.172 . . . . 0.0 107.514 -176.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.324 0.2 OUTLIER -151.72 106.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 100.797 -3.779 . . . . 0.0 100.797 -164.392 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -176.5 -163.45 28.91 Favored Glycine 1 CA--C 1.591 4.799 1 CA-C-O 128.656 4.476 . . . . 0.0 105.93 172.532 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.97 93.8 1.78 Allowed 'General case' 0 CA--C 1.566 1.579 1 CA-C-N 107.368 -4.416 . . . . 0.0 109.353 -176.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -156.06 116.06 3.65 Favored 'General case' 0 C--O 1.182 -2.471 0 CA-C-O 126.601 3.096 . . . . 0.0 106.594 -167.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.291 56.5 pttt -50.77 -51.53 49.54 Favored 'General case' 0 N--CA 1.52 3.042 0 CA-C-N 108.966 -3.743 . . . . 0.0 118.51 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.35 -44.38 25.26 Favored 'General case' 0 C--O 1.289 3.177 0 C-N-CA 125.602 1.561 . . . . 0.0 115.168 170.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -44.66 -56.53 5.64 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 120.244 2.858 . . . . 0.0 120.244 175.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.302 60.9 tp -53.67 -53.23 59.6 Favored Pre-proline 0 CA--C 1.592 2.575 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 174.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -49.01 -48.74 17.21 Favored 'Trans proline' 1 CA--C 1.608 4.183 0 CA-C-N 123.622 2.329 . . . . 0.0 117.604 159.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.334 31.8 m -54.29 -60.5 3.25 Favored 'General case' 0 N--CA 1.532 3.672 0 C-N-CA 124.4 1.08 . . . . 0.0 109.812 -179.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 27.1 tp -50.78 -56.88 10.02 Favored 'General case' 0 CA--C 1.62 3.652 0 C-N-CA 126.573 1.949 . . . . 0.0 114.467 173.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.4 t -55.13 -46.16 77.48 Favored 'Isoleucine or valine' 1 N--CA 1.547 4.415 0 CA-C-O 116.097 -1.906 . . . . 0.0 115.746 171.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.53 -57.52 6.04 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 168.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -53.97 -36.57 63.02 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 117.788 2.514 . . . . 0.0 117.788 169.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.26 7.6 m-70 -65.15 -59.55 3.98 Favored 'General case' 0 C--N 1.379 1.853 0 O-C-N 117.395 -3.316 . . . . 0.0 115.288 170.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.601 2.931 0 N-CA-C 116.148 1.907 . . . . 0.0 116.148 170.86 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 . . . . . 0 N--CA 1.539 3.998 0 CA-C-O 124.588 2.137 . . . . 0.0 115.44 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.64 -163.26 10.77 Favored Glycine 0 CA--C 1.557 2.657 2 N-CA-C 99.715 -5.354 . . . . 0.0 99.715 -173.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -152.36 150.58 29.86 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 118.688 -2.654 . . . . 0.0 107.128 -165.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.76 123.44 68.27 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.438 0 CA-C-N 109.534 -3.484 . . . . 0.0 104.364 174.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.52 129.9 64.72 Favored 'Isoleucine or valine' 1 CA--C 1.629 4.006 0 C-N-CA 127.918 2.487 . . . . 0.0 110.649 -175.263 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.27 118.22 13.78 Favored 'General case' 0 CA--C 1.581 2.164 0 N-CA-C 118.17 2.656 . . . . 0.0 118.17 174.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 73.0 m -122.6 135.03 54.51 Favored 'General case' 0 CA--C 1.609 3.214 1 C-N-CA 131.745 4.018 . . . . 0.0 108.793 -167.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -142.67 -24.8 0.64 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 119.454 3.131 . . . . 0.0 119.454 -166.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.7 p -147.86 -166.63 2.58 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.031 -1.668 . . . . 0.0 109.963 -160.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.8 p -57.92 -24.73 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.744 0 CA-C-O 126.04 2.829 . . . . 0.0 116.873 166.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -49.22 -35.84 18.4 Favored 'General case' 0 CA--C 1.581 2.159 1 O-C-N 116.257 -4.027 . . . . 0.0 121.226 166.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.373 0.6 OUTLIER -61.29 -44.34 97.38 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 160.612 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -44.77 -51.39 9.43 Favored 'General case' 0 N--CA 1.527 3.403 0 N-CA-C 117.819 2.526 . . . . 0.0 117.819 168.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -56.44 -39.02 72.43 Favored 'General case' 0 CA--C 1.606 3.119 0 N-CA-C 116.749 2.129 . . . . 0.0 116.749 164.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -73.97 -64.14 1.07 Allowed 'General case' 0 C--O 1.214 -0.786 0 C-N-CA 126.066 1.746 . . . . 0.0 111.526 174.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -49.58 -60.26 3.02 Favored 'General case' 0 N--CA 1.493 1.705 1 N-CA-C 122.434 4.235 . . . . 0.0 122.434 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -55.39 20.46 Favored 'General case' 0 CA--C 1.598 2.82 0 N-CA-C 118.39 2.737 . . . . 0.0 118.39 173.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.592 1.1 mm-40 -61.0 -43.13 99.33 Favored 'General case' 0 N--CA 1.522 3.134 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 175.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.423 31.9 mmtp -59.28 -63.3 1.35 Allowed 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 119.953 3.316 . . . . 0.0 119.953 162.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.76 -68.34 1.15 Allowed Glycine 1 CA--C 1.606 5.733 0 CA-C-N 113.287 -1.779 . . . . 0.0 116.69 177.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm -83.83 88.14 7.1 Favored 'General case' 0 C--O 1.276 2.486 0 CA-C-N 113.284 -1.458 . . . . 0.0 110.518 157.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.26 -35.42 0.17 Allowed Glycine 0 CA--C 1.554 2.51 0 CA-C-N 108.928 -3.76 . . . . 0.0 117.75 169.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.9 m -120.01 139.55 52.33 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 129.919 3.288 . . . . 0.0 104.969 -168.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -72.63 80.4 1.1 Allowed 'General case' 0 N--CA 1.518 2.928 0 CA-C-N 112.041 -2.345 . . . . 0.0 110.644 165.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -167.51 163.68 14.79 Favored 'General case' 0 C--N 1.395 2.584 0 C-N-CA 128.755 2.822 . . . . 0.0 110.532 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 35.6 tp -86.22 142.38 28.63 Favored 'General case' 0 CA--C 1.585 2.303 0 C-N-CA 127.983 2.513 . . . . 0.0 109.154 161.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.292 0.9 OUTLIER -145.17 126.67 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.615 0 N-CA-C 102.241 -3.244 . . . . 0.0 102.241 -172.425 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 t -129.46 151.79 36.33 Favored 'Isoleucine or valine' 0 C--O 1.259 1.579 0 C-N-CA 130.775 3.63 . . . . 0.0 114.867 -169.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 p -156.36 122.11 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 C-N-CA 126.331 1.852 . . . . 0.0 108.053 -170.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -81.87 108.31 15.29 Favored 'General case' 0 CA--C 1.607 3.168 0 CA-C-N 111.807 -2.451 . . . . 0.0 116.419 157.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -85.43 102.42 13.43 Favored 'General case' 0 CA--C 1.594 2.651 0 C-N-CA 129.284 3.034 . . . . 0.0 105.012 168.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.8 t -151.22 144.71 24.9 Favored 'General case' 0 N--CA 1.515 2.804 0 N-CA-C 103.319 -2.845 . . . . 0.0 103.319 -168.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.262 . . -73.22 151.26 41.51 Favored 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 111.404 -2.635 . . . . 0.0 115.633 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.9 t -56.39 -39.87 73.67 Favored 'General case' 0 N--CA 1.52 3.061 0 O-C-N 117.596 -3.19 . . . . 0.0 118.297 154.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 61.5 p-90 -66.95 61.09 0.05 OUTLIER 'General case' 0 N--CA 1.503 2.206 0 C-N-CA 127.701 2.4 . . . . 0.0 114.476 161.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 28.6 t -156.38 79.96 3.85 Favored Pre-proline 0 C--N 1.406 3.047 0 CA-C-N 112.303 -2.226 . . . . 0.0 110.427 -172.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -52.63 -48.56 21.34 Favored 'Trans proline' 0 N--CA 1.513 2.674 1 C-N-CA 128.904 6.402 . . . . 0.0 114.496 161.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.298 71.9 Cg_exo -44.43 -50.85 7.59 Favored 'Trans proline' 0 C--N 1.39 2.735 0 C-N-CA 124.54 3.493 . . . . 0.0 118.573 168.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 38' ' ' CYS 0.347 5.6 m -71.39 -22.06 61.93 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 121.35 3.833 . . . . 0.0 121.35 166.202 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.29 56.8 tttp -63.0 -34.63 77.97 Favored 'General case' 0 CA--C 1.587 2.397 0 CA-C-N 120.376 1.444 . . . . 0.0 113.723 163.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.312 4.3 ptt? -67.92 -49.71 60.26 Favored 'General case' 1 N--CA 1.589 6.484 0 O-C-N 117.718 -3.114 . . . . 0.0 116.991 155.257 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.409 1.0 OUTLIER -50.73 -36.7 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.166 0 N-CA-C 118.392 2.738 . . . . 0.0 118.392 171.791 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.358 . . -44.68 -67.45 0.36 Allowed Pre-proline 0 N--CA 1.523 3.198 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 167.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -43.34 -43.03 10.56 Favored 'Trans proline' 0 C--O 1.252 1.22 1 N-CA-C 124.302 4.693 . . . . 0.0 124.302 156.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.276 38.4 mm -53.18 -63.87 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.604 3.023 0 O-C-N 118.564 -2.585 . . . . 0.0 113.855 167.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -51.33 -27.98 11.05 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 115.69 -2.1 . . . . 0.0 113.224 171.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.14 -48.77 50.1 Favored 'General case' 0 CA--C 1.581 2.166 0 C-N-CA 129.768 3.227 . . . . 0.0 114.663 164.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.279 3.7 tm-20 -49.43 -57.22 7.36 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-N 123.215 2.734 . . . . 0.0 114.404 166.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.417 ' O ' HD22 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -49.87 -48.58 51.25 Favored 'General case' 0 N--CA 1.428 -1.562 0 CA-C-O 115.262 -2.304 . . . . 0.0 116.231 166.257 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.65 -48.99 28.53 Favored 'General case' 0 CA--C 1.581 2.16 0 N-CA-C 120.263 3.431 . . . . 0.0 120.263 167.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -56.13 -44.57 79.3 Favored 'General case' 0 N--CA 1.508 2.464 0 CA-C-O 115.606 -2.14 . . . . 0.0 115.188 166.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -54.57 -27.27 37.63 Favored 'General case' 1 CA--C 1.646 4.667 0 N-CA-C 119.734 3.235 . . . . 0.0 119.734 169.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -136.2 78.64 45.58 Favored Pre-proline 0 CA--C 1.556 1.18 0 CA-C-N 111.031 -2.804 . . . . 0.0 107.891 -159.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.251 18.5 Cg_endo -63.51 -19.89 68.64 Favored 'Trans proline' 0 CA--C 1.594 3.522 2 C-N-CA 127.913 5.742 . . . . 0.0 126.262 163.255 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.333 8.3 p30 -65.07 -4.54 4.91 Favored 'General case' 0 N--CA 1.531 3.601 0 C-N-CA 127.16 2.184 . . . . 0.0 116.63 173.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 28' ' ' LEU 0.414 3.4 p -145.89 110.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.417 3.515 0 CA-C-N 114.398 -1.274 . . . . 0.0 109.542 -154.035 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.2 m -67.47 154.49 41.26 Favored 'General case' 0 CA--C 1.578 2.03 0 O-C-N 118.555 -2.59 . . . . 0.0 112.808 160.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -139.0 130.33 26.95 Favored 'General case' 0 C--O 1.267 2.022 1 C-N-CA 131.97 4.108 . . . . 0.0 115.704 178.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.38 0.7 OUTLIER -137.29 157.46 46.57 Favored 'General case' 0 CA--C 1.582 2.173 0 C-N-CA 127.342 2.257 . . . . 0.0 109.891 -170.724 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -153.58 104.73 2.75 Favored 'General case' 0 N--CA 1.504 2.264 1 CA-C-O 128.613 4.054 . . . . 0.0 102.094 -163.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.8 t -80.34 115.49 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.189 1 CA-C-N 107.617 -4.356 . . . . 0.0 111.609 172.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -67.83 105.9 2.11 Favored 'General case' 0 N--CA 1.524 3.252 0 CA-C-O 123.334 1.54 . . . . 0.0 107.871 148.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.387 0.3 OUTLIER -63.83 -14.31 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.218 1 N-CA-C 122.169 4.137 . . . . 0.0 122.169 176.211 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -51.78 -58.7 5.66 Favored 'General case' 0 C--O 1.201 -1.489 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 166.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -64.51 -19.54 65.66 Favored 'General case' 0 CA--C 1.616 3.49 0 CA-C-O 113.989 -2.91 . . . . 0.0 117.141 169.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.5 mt -145.92 40.31 1.16 Allowed 'General case' 0 CA--C 1.582 2.189 0 C-N-CA 127.112 2.165 . . . . 0.0 113.501 -158.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.303 25.5 pttm -63.58 -54.66 32.58 Favored 'General case' 0 CA--C 1.597 2.757 0 C-N-CA 126.931 2.092 . . . . 0.0 116.442 163.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.02 -57.11 2.11 Favored 'General case' 1 N--CA 1.551 4.576 0 O-C-N 117.32 -3.362 . . . . 0.0 112.575 178.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.432 ' HA ' ' HG2' ' A' ' 74' ' ' GLU 0.263 9.9 p -61.42 -48.83 87.06 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.247 0 C-N-CA 128.694 2.798 . . . . 0.0 115.325 170.059 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.46 -55.97 2.66 Favored 'General case' 0 N--CA 1.511 2.608 0 N-CA-C 116.777 2.14 . . . . 0.0 116.777 170.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -59.68 -52.97 63.21 Favored 'General case' 0 CA--C 1.588 2.418 0 CA-C-N 111.706 -2.497 . . . . 0.0 111.287 173.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.432 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 2.0 pt-20 -52.1 -50.72 61.06 Favored 'General case' 0 N--CA 1.531 3.577 0 CA-C-N 123.243 2.747 . . . . 0.0 115.453 177.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.333 5.7 m95 -57.37 -45.67 84.2 Favored 'General case' 0 C--N 1.385 2.144 0 CA-C-N 125.079 3.581 . . . . 0.0 116.951 167.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.2 t30 148.04 90.65 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.08 0 O-C-N 126.349 2.281 . . . . 0.0 105.818 147.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.3 t -146.9 85.17 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 CA-C-O 125.74 2.686 . . . . 0.0 105.49 -170.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.74 3.36 19.61 Favored 'General case' 0 N--CA 1.513 2.718 0 N-CA-C 119.207 3.04 . . . . 0.0 119.207 156.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -160.12 129.63 5.18 Favored 'General case' 0 C--N 1.395 2.568 0 CA-C-O 122.758 1.266 . . . . 0.0 114.022 -169.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . 0.317 0.0 OUTLIER -62.65 116.57 24.42 Favored Pre-proline 0 CA--C 1.612 3.358 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.492 154.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -151.58 143.69 0.0 OUTLIER 'Cis proline' 2 CA--C 1.617 4.627 1 N-CA-C 127.848 6.057 . . . . 0.0 127.848 -4.497 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.8 m -133.33 125.77 29.94 Favored 'General case' 0 C--O 1.256 1.417 0 CA-C-O 125.774 2.702 . . . . 0.0 108.311 -136.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -104.02 130.86 51.7 Favored 'General case' 0 CA--C 1.583 2.218 1 CA-C-N 106.485 -4.87 . . . . 0.0 104.305 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -134.72 143.38 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.635 0 N-CA-C 102.16 -3.274 . . . . 0.0 102.16 -166.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -137.2 116.61 12.76 Favored 'General case' 0 CA--C 1.594 2.668 0 N-CA-C 100.442 -3.91 . . . . 0.0 100.442 -153.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.267 0.2 OUTLIER -128.37 128.63 44.89 Favored 'General case' 0 N--CA 1.511 2.591 0 C-N-CA 129.685 3.194 . . . . 0.0 103.695 -176.094 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -96.89 165.21 12.2 Favored 'General case' 0 C--O 1.194 -1.825 0 CA-C-N 109.148 -3.66 . . . . 0.0 113.148 174.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.253 3.5 p30 -63.9 52.33 0.02 OUTLIER 'General case' 1 N--CA 1.54 4.064 0 O-C-N 119.626 -1.921 . . . . 0.0 114.279 143.827 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -177.08 35.29 0.08 OUTLIER Glycine 0 CA--C 1.575 3.837 0 C-N-CA 128.781 3.086 . . . . 0.0 116.189 174.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.4 mptt 71.54 176.11 0.28 Allowed 'General case' 2 N--CA 1.554 4.774 0 C-N-CA 128.329 2.652 . . . . 0.0 111.189 -177.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . 0.258 19.4 tp -45.94 98.21 0.01 OUTLIER 'General case' 0 C--O 1.29 3.236 1 O-C-N 129.179 4.049 . . . . 0.0 112.197 175.473 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.385 12.0 m -70.9 -71.53 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.266 1.95 0 C-N-CA 126.995 2.118 . . . . 0.0 112.456 172.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . 0.267 5.2 t70 -153.41 177.52 10.81 Favored 'General case' 0 CA--C 1.566 1.593 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -163.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.9 pttm -164.17 159.35 20.13 Favored 'General case' 1 N--CA 1.541 4.12 0 C-N-CA 126.053 1.741 . . . . 0.0 112.557 -174.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 37.9 m -160.72 133.14 6.15 Favored 'General case' 0 CA--C 1.562 1.417 0 N-CA-C 103.024 -2.954 . . . . 0.0 103.024 -177.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.32 1.8 p -113.03 98.45 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.628 3.959 0 C-N-CA 129.675 3.19 . . . . 0.0 108.015 -174.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -176.42 -161.68 25.83 Favored Glycine 1 N--CA 1.534 5.22 0 CA-C-O 123.992 1.885 . . . . 0.0 113.45 172.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -163.16 101.96 0.97 Allowed 'General case' 0 N--CA 1.532 3.635 0 CA-C-N 112.719 -1.741 . . . . 0.0 108.25 -174.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -156.82 128.55 7.16 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 127.548 3.03 . . . . 0.0 106.357 -168.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -56.34 -61.33 2.47 Favored 'General case' 0 CA--C 1.597 2.751 0 C-N-CA 128.447 2.699 . . . . 0.0 116.779 -174.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -71.67 -44.44 64.27 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 118.701 2.852 . . . . 0.0 118.701 157.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -35.83 -53.61 1.14 Allowed Glycine 2 CA--C 1.604 5.627 0 N-CA-C 121.289 3.276 . . . . 0.0 121.289 172.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.293 13.5 tp -60.39 -56.58 33.92 Favored Pre-proline 0 CA--C 1.563 1.46 1 CA-C-O 111.568 -4.063 . . . . 0.0 112.494 168.779 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -48.49 -32.85 21.71 Favored 'Trans proline' 1 CA--C 1.619 4.743 2 CA-C-N 129.892 4.569 . . . . 0.0 117.829 165.841 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 49.1 m -60.81 -62.69 1.68 Allowed 'General case' 0 N--CA 1.519 2.986 0 C-N-CA 125.467 1.507 . . . . 0.0 112.458 172.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.3 tp -51.51 -59.65 4.02 Favored 'General case' 0 CA--C 1.563 1.459 1 O-C-N 129.908 4.505 . . . . 0.0 116.242 175.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.259 91.9 t -48.68 -50.7 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.539 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 167.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.68 -54.06 20.83 Favored 'General case' 0 N--CA 1.51 2.541 0 CA-C-O 123.411 1.577 . . . . 0.0 111.573 174.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . 0.339 88.5 mttt -49.81 -50.13 46.16 Favored 'General case' 0 C--O 1.2 -1.538 0 N-CA-C 120.224 3.416 . . . . 0.0 120.224 166.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -61.95 -46.89 87.29 Favored 'General case' 0 CA--C 1.605 3.059 0 N-CA-C 118.543 2.794 . . . . 0.0 118.543 172.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.611 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 176.797 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.278 2.56 0 CA-C-O 126.037 2.827 . . . . 0.0 116.193 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.11 -166.66 18.6 Favored Glycine 0 C--O 1.253 1.295 0 CA-C-N 112.5 -2.136 . . . . 0.0 112.303 151.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -149.01 110.58 4.49 Favored 'General case' 0 N--CA 1.503 2.204 0 C-N-CA 125.445 1.498 . . . . 0.0 107.3 -169.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.3 t -85.95 112.56 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 C-N-CA 128.324 2.65 . . . . 0.0 108.614 173.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.58 128.03 50.58 Favored 'Isoleucine or valine' 1 CA--C 1.632 4.103 0 O-C-N 117.816 -3.053 . . . . 0.0 106.794 -162.411 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.17 145.28 47.56 Favored 'General case' 0 CA--C 1.581 2.165 0 C-N-CA 126.124 1.77 . . . . 0.0 115.285 166.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.558 ' SG ' ' HB2' ' A' ' 61' ' ' LEU . 96.6 m -150.51 141.88 23.34 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 103.113 -2.921 . . . . 0.0 103.113 -167.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -147.64 -15.17 0.38 Allowed 'General case' 0 CA--C 1.602 2.981 0 N-CA-C 118.074 2.62 . . . . 0.0 118.074 -168.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.1 p -146.08 -173.97 4.31 Favored 'General case' 0 CA--C 1.596 2.723 0 O-C-N 118.311 -2.743 . . . . 0.0 109.706 -154.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.17 -13.52 12.56 Favored 'Isoleucine or valine' 0 CA--C 1.62 3.655 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 160.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.273 18.1 m-20 -60.76 -39.9 90.48 Favored 'General case' 0 CA--C 1.578 2.024 0 N-CA-C 118.063 2.616 . . . . 0.0 118.063 169.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.89 -38.45 90.95 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 118.87 2.915 . . . . 0.0 118.87 163.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -47.6 -53.85 13.51 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-O 116.861 -1.542 . . . . 0.0 113.39 160.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -50.49 -33.82 22.76 Favored 'General case' 0 CA--C 1.608 3.2 0 N-CA-C 121.163 3.764 . . . . 0.0 121.163 164.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -76.28 -58.16 3.44 Favored 'General case' 0 CA--C 1.583 2.242 0 C-N-CA 130.706 3.602 . . . . 0.0 115.713 173.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.325 1.8 t-80 -51.75 -62.03 1.88 Allowed 'General case' 0 CA--C 1.571 1.785 0 O-C-N 127.122 2.764 . . . . 0.0 115.689 176.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -67.28 -55.89 12.06 Favored 'General case' 0 CA--C 1.577 1.986 0 O-C-N 127.596 3.06 . . . . 0.0 117.373 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -58.39 -48.89 79.18 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 123.647 2.93 . . . . 0.0 117.122 170.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -53.76 -61.66 2.16 Favored 'General case' 0 N--CA 1.525 3.303 0 O-C-N 118.652 -2.53 . . . . 0.0 115.822 161.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.92 -86.94 0.01 OUTLIER Glycine 0 C--N 1.377 2.848 0 N-CA-C 118.534 2.173 . . . . 0.0 118.534 174.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.69 97.98 3.34 Favored 'General case' 0 CA--C 1.579 2.058 0 O-C-N 127.127 2.31 . . . . 0.0 110.551 157.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.38 -58.96 0.13 Allowed Glycine 0 N--CA 1.488 2.163 0 CA-C-N 111.789 -2.46 . . . . 0.0 107.263 173.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.252 56.0 m -116.24 135.21 54.1 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 130.126 3.371 . . . . 0.0 111.424 -178.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -57.57 77.99 0.01 OUTLIER 'General case' 0 C--N 1.409 3.168 0 C-N-CA 127.984 2.514 . . . . 0.0 111.332 171.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -156.12 145.93 21.15 Favored 'General case' 0 C--O 1.273 2.331 0 C-N-CA 126.428 1.891 . . . . 0.0 108.952 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 20.0 tp -71.28 153.49 42.36 Favored 'General case' 0 CA--C 1.608 3.182 0 CA-C-O 125.288 2.47 . . . . 0.0 110.815 156.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.326 1.5 pp -149.28 126.41 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.911 0 N-CA-C 102.632 -3.099 . . . . 0.0 102.632 -175.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -136.03 112.09 12.52 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.895 0 C-N-CA 128.829 2.852 . . . . 0.0 103.755 -156.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.305 0.4 OUTLIER -130.07 101.93 6.52 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.31 0 CA-C-N 111.695 -2.502 . . . . 0.0 105.97 -156.727 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -65.66 150.67 48.09 Favored 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 130.316 3.446 . . . . 0.0 110.969 168.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -147.19 96.02 2.65 Favored 'General case' 0 C--O 1.283 2.818 1 N-CA-C 99.844 -4.132 . . . . 0.0 99.844 -174.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.491 ' HG1' ' HG ' ' A' ' 41' ' ' CYS . 14.9 t -145.53 154.54 42.3 Favored 'General case' 1 N--CA 1.541 4.097 0 CA-C-O 127.206 3.384 . . . . 0.0 103.469 -173.14 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.42 145.62 25.21 Favored 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 130.005 3.322 . . . . 0.0 110.999 169.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.8 t -54.63 -38.5 66.91 Favored 'General case' 0 C--O 1.204 -1.323 0 O-C-N 128.966 3.916 . . . . 0.0 118.309 168.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 28.2 p-90 -66.78 78.76 0.12 Allowed 'General case' 0 CA--C 1.58 2.121 0 N-CA-C 117.083 2.253 . . . . 0.0 117.083 162.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.8 t -167.02 89.78 0.75 Allowed Pre-proline 0 C--O 1.267 2.013 0 CA-C-O 117.049 -1.453 . . . . 0.0 110.697 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -48.82 -43.15 35.78 Favored 'Trans proline' 0 CA--C 1.599 3.752 0 N-CA-C 118.029 2.28 . . . . 0.0 118.029 161.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.376 25.8 Cg_exo -40.64 -59.21 0.8 Allowed 'Trans proline' 0 C--N 1.393 2.911 1 N-CA-C 123.05 4.212 . . . . 0.0 123.05 164.426 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.491 ' HG ' ' HG1' ' A' ' 34' ' ' THR . 0.9 OUTLIER -71.35 -14.9 62.34 Favored 'General case' 0 CA--C 1.583 2.214 0 N-CA-C 120.443 3.497 . . . . 0.0 120.443 163.474 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.32 20.8 tttp -57.9 -41.45 82.63 Favored 'General case' 0 CA--C 1.602 2.946 0 N-CA-C 121.344 3.831 . . . . 0.0 121.344 154.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.353 16.6 ptt? -67.82 -40.8 83.78 Favored 'General case' 0 N--CA 1.535 3.812 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 159.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.466 0.9 OUTLIER -56.83 -44.01 81.1 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.2 0 N-CA-C 117.364 2.357 . . . . 0.0 117.364 169.761 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.39 . . -41.29 -60.15 1.92 Allowed Pre-proline 0 N--CA 1.52 3.054 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 170.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -46.54 -47.21 16.02 Favored 'Trans proline' 0 CA--C 1.549 1.236 1 C-N-CA 125.883 4.388 . . . . 0.0 119.465 161.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.371 44.9 mm -54.76 -42.54 62.5 Favored 'Isoleucine or valine' 0 C--N 1.402 2.89 0 C-N-CA 126.516 1.926 . . . . 0.0 115.498 172.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -36.68 82.31 Favored 'General case' 0 N--CA 1.532 3.675 0 C-N-CA 129.757 3.223 . . . . 0.0 113.535 171.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.463 . . -62.3 -52.75 62.42 Favored 'General case' 0 CA--C 1.576 1.942 0 N-CA-C 121.384 3.846 . . . . 0.0 121.384 165.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.6 -57.2 8.75 Favored 'General case' 0 C--O 1.257 1.471 0 N-CA-C 117.263 2.319 . . . . 0.0 117.263 162.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.435 HD11 HG11 ' A' ' 107' ' ' VAL 0.339 1.5 tm? -48.74 -45.55 39.78 Favored 'General case' 0 CA--C 1.595 2.675 0 N-CA-C 117.898 2.555 . . . . 0.0 117.898 165.038 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.26 -41.62 50.65 Favored 'General case' 0 CA--C 1.594 2.652 0 CA-C-N 122.667 2.485 . . . . 0.0 117.388 168.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -63.99 -38.56 91.52 Favored 'General case' 0 CA--C 1.58 2.104 0 C-N-CA 128.902 2.881 . . . . 0.0 116.821 169.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -61.16 -38.16 85.47 Favored 'General case' 0 CA--C 1.598 2.808 0 N-CA-C 119.578 3.177 . . . . 0.0 119.578 167.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -129.39 78.35 75.91 Favored Pre-proline 1 CA--C 1.655 5.0 0 CA-C-N 111.557 -2.565 . . . . 0.0 116.093 -156.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -60.37 -20.34 62.67 Favored 'Trans proline' 1 CA--C 1.66 6.808 2 N-CA-C 129.056 6.522 . . . . 0.0 129.056 179.196 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.259 9.8 p30 -81.57 16.07 1.87 Allowed 'General case' 0 C--O 1.187 -2.201 0 C-N-CA 129.967 3.307 . . . . 0.0 118.402 175.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 28' ' ' LEU 0.469 4.3 p -151.64 118.08 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 120.151 -1.593 . . . . 0.0 109.522 -160.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.3 m -85.52 158.52 20.14 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 125.216 2.436 . . . . 0.0 105.497 172.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -150.61 124.83 9.42 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-O 124.763 2.221 . . . . 0.0 108.314 -164.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.558 ' HB2' ' SG ' ' A' ' 9' ' ' CYS 0.417 1.6 pp -146.27 156.15 43.17 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 125.826 2.727 . . . . 0.0 108.236 -170.238 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -146.25 108.94 4.52 Favored 'General case' 0 N--CA 1.507 2.404 0 CA-C-O 124.449 2.071 . . . . 0.0 108.86 -168.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.459 HG13 HD12 ' A' ' 68' ' ' LEU . 66.3 t -83.15 120.57 34.69 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.097 0 CA-C-N 110.61 -2.995 . . . . 0.0 107.284 177.398 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -70.97 106.81 3.79 Favored 'General case' 0 CA--C 1.586 2.347 0 CA-C-N 110.727 -2.942 . . . . 0.0 109.639 159.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.504 HG11 ' SD ' ' A' ' 80' ' ' MET 0.468 0.3 OUTLIER -55.23 -37.68 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 N-CA-C 119.552 3.167 . . . . 0.0 119.552 -179.641 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.77 -40.09 72.15 Favored 'General case' 0 C--O 1.246 0.896 0 C-N-CA 127.51 2.324 . . . . 0.0 112.777 175.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.8 -37.55 87.15 Favored 'General case' 0 C--N 1.365 1.242 0 N-CA-C 121.401 3.852 . . . . 0.0 121.401 165.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.459 HD12 HG13 ' A' ' 63' ' ' VAL . 38.3 mt -148.32 43.4 1.03 Allowed 'General case' 0 CA--C 1.601 2.925 0 CA-C-O 126.291 2.948 . . . . 0.0 116.535 -162.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -63.49 -46.51 85.82 Favored 'General case' 0 C--O 1.261 1.671 0 CA-C-N 110.421 -3.081 . . . . 0.0 117.937 171.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.14 -62.02 1.76 Allowed 'General case' 0 CA--C 1.599 2.863 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 174.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.365 5.5 p -50.74 -55.08 7.64 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.811 0 N-CA-C 119.406 3.113 . . . . 0.0 119.406 166.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.84 -56.7 10.96 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 113.762 -1.563 . . . . 0.0 113.631 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -54.73 -43.52 72.71 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 112.211 -2.268 . . . . 0.0 111.205 172.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.543 0.0 OUTLIER -41.78 -59.18 1.75 Allowed 'General case' 1 N--CA 1.542 4.156 0 N-CA-C 120.514 3.524 . . . . 0.0 120.514 168.557 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.348 10.0 m95 -53.31 -52.13 60.11 Favored 'General case' 0 CA--C 1.584 2.283 0 O-C-N 126.371 2.295 . . . . 0.0 115.22 166.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 23.7 t30 150.46 77.0 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 131.026 3.73 . . . . 0.0 107.962 151.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . 0.478 39.0 t -98.42 83.35 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.605 3.093 0 C-N-CA 129.314 3.046 . . . . 0.0 111.8 171.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.295 0.0 OUTLIER -63.01 -37.2 86.25 Favored 'General case' 0 N--CA 1.506 2.345 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 160.339 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.59 153.67 42.03 Favored 'General case' 0 C--O 1.258 1.507 0 CA-C-O 126.443 3.021 . . . . 0.0 110.01 -158.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.504 ' SD ' HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -73.61 109.65 7.08 Favored Pre-proline 0 C--N 1.385 2.125 1 CA-C-N 107.606 -4.361 . . . . 0.0 108.702 143.948 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.432 ' HG3' ' SG ' ' A' ' 41' ' ' CYS 0.286 58.8 Cg_endo -153.41 137.15 0.0 OUTLIER 'Cis proline' 0 CA--C 1.592 3.403 0 CA-C-O 129.602 3.918 . . . . 0.0 120.935 -5.164 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 m -101.07 135.56 42.33 Favored 'General case' 1 CA--C 1.661 5.233 2 C-N-CA 132.924 4.49 . . . . 0.0 104.077 -159.601 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -123.21 137.59 54.85 Favored 'General case' 0 C--N 1.399 2.738 0 CA-C-N 108.99 -3.732 . . . . 0.0 103.612 171.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.32 145.55 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 1 CA-C-N 107.948 -4.206 . . . . 0.0 106.982 -167.225 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -134.72 114.42 12.66 Favored 'General case' 0 N--CA 1.522 3.14 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 -154.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.84 120.77 24.18 Favored 'General case' 0 CA--C 1.609 3.242 1 N-CA-C 96.813 -5.255 . . . . 0.0 96.813 -171.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.335 50.9 tptt -101.2 177.9 4.81 Favored 'General case' 0 C--O 1.289 3.168 0 C-N-CA 127.526 2.331 . . . . 0.0 113.92 170.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -59.09 37.08 0.01 OUTLIER 'General case' 1 CA--C 1.653 4.937 0 N-CA-C 120.722 3.601 . . . . 0.0 120.722 147.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -159.46 35.31 0.47 Allowed Glycine 0 C--O 1.19 -2.629 0 N-CA-C 118.909 2.324 . . . . 0.0 118.909 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.28 7.8 mptt 68.82 -164.43 0.19 Allowed 'General case' 0 CA--C 1.583 2.218 0 C-N-CA 127.351 2.26 . . . . 0.0 111.244 -169.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.9 tp -69.97 95.9 0.99 Allowed 'General case' 0 C--N 1.398 2.679 0 C-N-CA 129.754 3.222 . . . . 0.0 111.837 173.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.263 20.4 m -70.15 -51.54 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.94 0 O-C-N 119.544 -1.972 . . . . 0.0 114.36 174.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -152.97 163.61 39.5 Favored 'General case' 0 CA--C 1.587 2.367 0 O-C-N 118.96 -2.338 . . . . 0.0 114.853 -161.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -163.18 123.11 2.22 Favored 'General case' 0 CA--C 1.587 2.386 0 O-C-N 125.986 2.054 . . . . 0.0 112.248 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.8 m -149.65 142.5 24.73 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 104.69 -2.337 . . . . 0.0 104.69 -171.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 p -135.24 106.95 7.18 Favored 'Isoleucine or valine' 0 C--N 1.258 -3.374 0 N-CA-C 102.606 -3.109 . . . . 0.0 102.606 -161.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 176.1 -163.26 32.59 Favored Glycine 0 C--N 1.379 2.946 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 170.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . 0.348 . . -165.32 106.73 0.78 Allowed 'General case' 0 N--CA 1.537 3.888 0 CA-C-O 124.203 1.954 . . . . 0.0 109.933 -176.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -155.85 131.17 9.49 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 125.967 1.707 . . . . 0.0 109.589 -175.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.28 50.5 pttt -41.75 -62.67 0.85 Allowed 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 120.444 3.498 . . . . 0.0 120.444 177.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.267 2.5 p-10 -62.21 -50.27 72.44 Favored 'General case' 0 N--CA 1.527 3.421 0 N-CA-C 121.549 3.907 . . . . 0.0 121.549 158.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -38.14 -64.09 0.85 Allowed Glycine 0 CA--C 1.566 3.219 0 N-CA-C 118.528 2.171 . . . . 0.0 118.528 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.307 60.1 tp -53.56 -56.14 27.9 Favored Pre-proline 0 CA--C 1.588 2.438 0 N-CA-C 117.993 2.59 . . . . 0.0 117.993 172.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -40.46 -43.2 4.09 Favored 'Trans proline' 0 CA--C 1.585 3.028 1 C-N-CA 125.304 4.003 . . . . 0.0 121.331 164.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.297 93.3 m -68.47 -49.85 56.76 Favored 'General case' 0 CA--C 1.597 2.766 0 O-C-N 127.938 3.274 . . . . 0.0 118.307 173.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.9 tp -53.65 -47.42 70.36 Favored 'General case' 1 N--CA 1.543 4.214 0 N-CA-C 119.41 3.115 . . . . 0.0 119.41 166.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.435 HG11 HD11 ' A' ' 51' ' ' LEU 0.363 57.7 t -61.36 -56.36 18.38 Favored 'Isoleucine or valine' 0 C--N 1.386 2.185 0 C-N-CA 130.087 3.355 . . . . 0.0 115.693 173.483 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.12 -49.81 50.57 Favored 'General case' 0 CA--C 1.582 2.179 0 N-CA-C 118.04 2.607 . . . . 0.0 118.04 169.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -53.27 -37.99 62.65 Favored 'General case' 0 CA--C 1.616 3.488 0 CA-C-O 124.027 1.87 . . . . 0.0 114.366 168.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.522 80.7 m-70 -66.82 -52.65 41.34 Favored 'General case' 0 CA--C 1.577 2.007 1 N-CA-C 123.113 4.486 . . . . 0.0 123.113 167.679 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 119.565 3.172 . . . . 0.0 119.565 166.431 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.36 12.0 pt-20 . . . . . 0 CA--C 1.547 0.854 0 CA-C-O 121.861 0.839 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.99 165.79 37.62 Favored Glycine 1 CA--C 1.582 4.224 0 CA-C-N 111.998 -2.364 . . . . 0.0 114.638 155.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -152.51 117.4 5.12 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 123.897 1.808 . . . . 0.0 108.685 -164.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.4 t -84.48 118.42 31.65 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.705 0 C-N-CA 127.961 2.504 . . . . 0.0 106.312 174.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.274 0.3 OUTLIER -124.33 126.84 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.021 0 C-N-CA 131.022 3.729 . . . . 0.0 108.34 -175.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.76 142.82 58.0 Favored 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 121.393 3.849 . . . . 0.0 121.393 165.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.1 m -149.98 128.95 12.59 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 128.061 2.545 . . . . 0.0 108.783 -170.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -143.55 -17.04 0.63 Allowed 'General case' 0 CA--C 1.582 2.211 0 O-C-N 128.893 3.871 . . . . 0.0 115.928 -165.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.0 p -146.41 -175.56 4.83 Favored 'General case' 0 C--N 1.38 1.917 0 C-N-CA 127.741 2.416 . . . . 0.0 113.07 -160.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -52.75 -22.83 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.532 3.662 0 O-C-N 116.849 -3.657 . . . . 0.0 117.686 162.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.278 20.4 m-20 -44.56 -43.67 8.22 Favored 'General case' 0 N--CA 1.514 2.738 0 N-CA-C 118.475 2.768 . . . . 0.0 118.475 159.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.03 -28.3 68.76 Favored 'General case' 0 CA--C 1.578 2.02 0 N-CA-C 119.688 3.218 . . . . 0.0 119.688 163.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -56.65 -48.62 77.17 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 115.129 -2.367 . . . . 0.0 111.115 162.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.359 28.4 mtmt -55.98 -57.54 11.67 Favored 'General case' 0 N--CA 1.509 2.49 0 N-CA-C 118.414 2.746 . . . . 0.0 118.414 164.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -55.3 -65.36 0.6 Allowed 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 127.447 2.299 . . . . 0.0 114.549 177.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -50.0 -57.55 7.34 Favored 'General case' 0 N--CA 1.52 3.074 0 N-CA-C 117.333 2.345 . . . . 0.0 117.333 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.291 2.4 t80 -60.33 -62.77 1.62 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 127.763 3.164 . . . . 0.0 114.786 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.272 13.4 mm-40 -53.2 -50.27 65.03 Favored 'General case' 0 CA--C 1.598 2.805 0 N-CA-C 120.408 3.485 . . . . 0.0 120.408 174.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -58.29 -60.61 3.5 Favored 'General case' 0 CA--C 1.585 2.298 0 CA-C-O 123.882 1.801 . . . . 0.0 114.457 169.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.89 -88.38 0.01 OUTLIER Glycine 0 C--N 1.392 3.664 0 CA-C-N 113.315 -1.766 . . . . 0.0 112.791 176.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -71.74 97.75 1.83 Allowed 'General case' 0 N--CA 1.513 2.697 0 CA-C-N 113.954 -1.123 . . . . 0.0 111.883 158.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.66 -36.8 0.58 Allowed Glycine 0 CA--C 1.578 3.994 0 N-CA-C 118.042 1.977 . . . . 0.0 118.042 160.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.3 m -104.26 134.31 47.71 Favored 'General case' 0 CA--C 1.582 2.2 1 N-CA-C 99.912 -4.107 . . . . 0.0 99.912 176.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.313 8.1 mp0 -67.84 84.31 0.21 Allowed 'General case' 0 N--CA 1.509 2.512 0 CA-C-N 110.568 -3.014 . . . . 0.0 114.208 163.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -164.78 161.6 20.59 Favored 'General case' 0 CA--C 1.601 2.935 0 C-N-CA 128.706 2.802 . . . . 0.0 108.9 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 tp -95.46 144.37 26.02 Favored 'General case' 0 CA--C 1.57 1.718 2 O-C-N 129.716 4.385 . . . . 0.0 105.789 166.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.556 HG22 ' HB ' ' A' ' 59' ' ' THR 0.304 3.3 pt -138.11 144.47 30.61 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 CA-C-N 110.865 -2.88 . . . . 0.0 105.848 179.087 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.8 t -136.96 141.7 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.582 0 C-N-CA 128.853 2.861 . . . . 0.0 105.302 -169.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.439 2.6 p -144.01 106.35 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 127.105 2.162 . . . . 0.0 114.362 -168.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -65.04 151.04 47.01 Favored 'General case' 1 N--CA 1.552 4.632 0 CA-C-O 125.322 2.487 . . . . 0.0 113.44 152.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -141.17 99.63 3.62 Favored 'General case' 1 N--CA 1.563 5.182 1 N-CA-C 96.833 -5.247 . . . . 0.0 96.833 -173.496 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.0 t -148.92 140.16 23.17 Favored 'General case' 0 C--O 1.291 3.247 1 N-CA-C 99.678 -4.193 . . . . 0.0 99.678 -162.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.261 . . -78.39 154.38 30.77 Favored 'General case' 1 CA--C 1.65 4.811 0 C-N-CA 127.579 2.351 . . . . 0.0 108.68 167.389 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.251 0.2 OUTLIER -55.91 -48.89 74.85 Favored 'General case' 0 C--O 1.279 2.657 0 CA-C-O 124.774 2.226 . . . . 0.0 114.623 170.497 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 44.9 p-90 -66.66 86.53 0.12 Allowed 'General case' 0 CA--C 1.61 3.256 0 CA-C-N 110.392 -3.094 . . . . 0.0 113.905 161.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.9 t -168.0 89.05 0.68 Allowed Pre-proline 0 N--CA 1.5 2.071 0 CA-C-O 116.434 -1.746 . . . . 0.0 111.611 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -51.26 -40.65 60.8 Favored 'Trans proline' 1 CA--C 1.629 5.267 0 N-CA-C 122.09 3.842 . . . . 0.0 122.09 166.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.25 75.2 Cg_exo -53.49 -55.01 3.98 Favored 'Trans proline' 0 N--CA 1.501 1.964 0 C-N-CA 123.215 2.61 . . . . 0.0 117.746 165.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.462 ' SG ' ' HG3' ' A' ' 81' ' ' PRO 0.321 12.5 m -62.59 -20.76 65.04 Favored 'General case' 0 CA--C 1.584 2.261 0 N-CA-C 120.02 3.341 . . . . 0.0 120.02 162.779 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -57.62 -39.8 77.73 Favored 'General case' 0 CA--C 1.578 2.046 0 O-C-N 118.249 -2.782 . . . . 0.0 116.984 158.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.402 22.7 ptt? -67.55 -53.39 28.82 Favored 'General case' 0 N--CA 1.508 2.468 0 N-CA-C 117.889 2.551 . . . . 0.0 117.889 154.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.366 1.0 OUTLIER -49.44 -31.7 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 1 N-CA-C 122.192 4.145 . . . . 0.0 122.192 172.732 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.311 . . -54.22 -59.05 11.06 Favored Pre-proline 0 CA--C 1.591 2.538 0 C-N-CA 125.184 1.394 . . . . 0.0 113.843 171.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -54.65 -39.5 88.66 Favored 'Trans proline' 0 CA--C 1.586 3.118 0 N-CA-C 122.317 3.93 . . . . 0.0 122.317 160.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.29 47.2 mm -55.23 -54.38 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.293 0 O-C-N 124.862 1.351 . . . . 0.0 112.514 167.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.87 -47.34 8.25 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 118.475 2.769 . . . . 0.0 118.475 170.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.94 92.43 Favored 'General case' 0 CA--C 1.574 1.89 0 N-CA-C 119.696 3.221 . . . . 0.0 119.696 167.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -56.67 -51.49 68.55 Favored 'General case' 0 N--CA 1.537 3.884 0 N-CA-C 117.025 2.232 . . . . 0.0 117.025 164.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.3 2.2 tm? -53.21 -59.43 4.57 Favored 'General case' 0 CA--C 1.571 1.763 0 O-C-N 125.908 2.005 . . . . 0.0 115.461 168.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.75 -44.64 38.77 Favored 'General case' 0 N--CA 1.526 3.351 0 N-CA-C 117.3 2.333 . . . . 0.0 117.3 167.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -50.52 -45.58 56.72 Favored 'General case' 0 N--CA 1.508 2.435 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 163.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -56.66 -31.29 64.25 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 121.24 3.793 . . . . 0.0 121.24 170.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -131.69 95.09 23.88 Favored Pre-proline 0 N--CA 1.519 2.989 0 C-N-CA 128.648 2.779 . . . . 0.0 112.618 -159.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.429 35.8 Cg_endo -66.14 -40.47 15.48 Favored 'Trans proline' 0 CA--C 1.578 2.695 2 C-N-CA 130.712 7.608 . . . . 0.0 125.972 174.544 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -68.36 3.67 1.64 Allowed 'General case' 0 C--O 1.289 3.141 0 C-N-CA 127.7 2.4 . . . . 0.0 114.669 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.36 6.0 p -144.35 118.45 3.34 Favored 'Isoleucine or valine' 0 C--N 1.392 2.427 0 CA-C-O 126.189 2.899 . . . . 0.0 106.099 -155.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.556 ' HB ' HG22 ' A' ' 29' ' ' ILE . 15.6 m -87.16 155.89 19.92 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-O 128.21 3.862 . . . . 0.0 109.72 165.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -137.93 144.73 41.4 Favored 'General case' 0 C--N 1.361 1.069 0 CA-C-N 111.611 -2.541 . . . . 0.0 109.755 -172.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 pp -158.06 151.58 23.5 Favored 'General case' 0 CA--C 1.581 2.153 0 CA-C-O 124.468 2.08 . . . . 0.0 108.121 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -137.03 109.6 7.46 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 127.106 3.336 . . . . 0.0 105.898 -169.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.5 t -84.93 122.12 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 1 CA-C-N 107.285 -4.507 . . . . 0.0 102.422 174.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -79.01 115.33 18.62 Favored 'General case' 0 CA--C 1.577 1.984 0 O-C-N 116.301 -3.999 . . . . 0.0 105.354 158.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.381 0.3 OUTLIER -58.47 -42.34 84.08 Favored 'Isoleucine or valine' 0 C--N 1.386 2.172 0 C-N-CA 129.515 3.126 . . . . 0.0 114.774 -175.221 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.274 7.5 m-20 -43.95 -60.09 1.99 Allowed 'General case' 1 N--CA 1.545 4.29 0 C-N-CA 126.819 2.048 . . . . 0.0 110.925 179.253 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.96 -18.65 61.09 Favored 'General case' 0 C--O 1.255 1.347 0 N-CA-C 118.997 2.962 . . . . 0.0 118.997 169.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.5 mt -153.72 51.75 0.7 Allowed 'General case' 1 N--CA 1.548 4.451 0 O-C-N 117.4 -3.313 . . . . 0.0 109.749 -159.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.348 9.4 ptpt -67.13 -56.12 11.34 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 118.157 -2.839 . . . . 0.0 118.044 173.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.332 . . -46.32 -57.9 4.19 Favored 'General case' 0 N--CA 1.394 -3.237 0 O-C-N 127.379 2.925 . . . . 0.0 115.436 177.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.4 p -52.62 -52.16 29.13 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.139 0 N-CA-C 121.098 3.74 . . . . 0.0 121.098 158.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . 0.47 . . -44.6 -54.32 6.23 Favored 'General case' 1 N--CA 1.585 6.282 0 O-C-N 128.298 3.499 . . . . 0.0 118.458 173.555 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -52.53 -48.12 66.26 Favored 'General case' 0 C--N 1.273 -2.756 0 O-C-N 125.904 2.002 . . . . 0.0 112.689 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.456 0.0 OUTLIER -56.21 -42.13 76.71 Favored 'General case' 1 C--O 1.347 6.189 0 O-C-N 117.306 -3.371 . . . . 0.0 117.066 170.388 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.491 64.4 m95 -48.49 -54.18 15.25 Favored 'General case' 0 C--N 1.401 2.829 0 O-C-N 117.466 -3.271 . . . . 0.0 117.509 163.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.275 18.0 t-20 150.77 65.14 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.463 0 N-CA-C 103.893 -2.632 . . . . 0.0 103.893 154.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.5 t -135.8 94.05 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.536 3.835 2 N-CA-C 97.401 -5.037 . . . . 0.0 97.401 -160.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.85 -17.38 60.6 Favored 'General case' 2 N--CA 1.576 5.831 1 N-CA-C 122.96 4.43 . . . . 0.0 122.96 146.358 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -143.4 151.25 40.18 Favored 'General case' 0 CA--C 1.595 2.71 1 CA-C-O 128.582 4.039 . . . . 0.0 114.239 -168.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.3 mmt -102.06 107.64 53.44 Favored Pre-proline 0 C--O 1.285 2.968 0 CA-C-N 109.411 -3.54 . . . . 0.0 110.385 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.462 ' HG3' ' SG ' ' A' ' 41' ' ' CYS 0.33 0.4 OUTLIER -149.65 154.49 0.0 OUTLIER 'Cis proline' 1 CA--C 1.628 5.178 0 CA-C-O 128.567 3.486 . . . . 0.0 119.597 5.081 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.532 HG23 ' HB ' ' A' ' 96' ' ' VAL 0.36 2.8 m -117.68 136.63 53.21 Favored 'General case' 0 CA--C 1.578 2.024 2 CA-C-N 103.153 -6.385 . . . . 0.0 104.01 -141.023 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -135.16 113.85 11.78 Favored 'General case' 0 C--N 1.379 1.886 1 O-C-N 114.604 -5.06 . . . . 0.0 110.739 -176.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 mt -125.82 136.75 59.86 Favored 'Isoleucine or valine' 1 CA--C 1.632 4.133 0 CA-C-N 109.096 -3.683 . . . . 0.0 103.891 -165.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -116.36 120.3 38.42 Favored 'General case' 0 N--CA 1.406 -2.657 1 CA-C-N 108.054 -4.157 . . . . 0.0 107.587 -165.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.43 119.64 12.15 Favored 'General case' 0 N--CA 1.512 2.668 1 N-CA-C 95.102 -5.888 . . . . 0.0 95.102 -166.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.299 70.2 tttt -120.42 178.58 4.61 Favored 'General case' 0 CA--C 1.588 2.428 0 C-N-CA 129.29 3.036 . . . . 0.0 108.368 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -54.54 40.41 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.288 1 N-CA-C 123.894 4.776 . . . . 0.0 123.894 155.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.37 54.48 0.14 Allowed Glycine 0 N--CA 1.499 2.892 0 C-N-CA 125.305 1.431 . . . . 0.0 114.428 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.428 ' HG2' ' H ' ' A' ' 91' ' ' LEU 0.497 17.4 ttmt 61.81 -165.08 0.23 Allowed 'General case' 0 N--CA 1.528 3.437 0 C-N-CA 126.332 1.853 . . . . 0.0 113.426 -176.017 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.428 ' H ' ' HG2' ' A' ' 90' ' ' LYS . 33.3 tp -55.39 104.49 0.13 Allowed 'General case' 0 C--O 1.267 2.004 0 C-N-CA 125.916 1.686 . . . . 0.0 115.265 168.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.407 31.6 m -76.19 -51.15 20.61 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.643 0 C-N-CA 130.165 3.386 . . . . 0.0 115.571 173.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -164.69 162.1 21.11 Favored 'General case' 0 C--N 1.403 2.913 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -169.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.87 144.54 21.47 Favored 'General case' 0 C--O 1.248 1.013 0 O-C-N 126.114 2.134 . . . . 0.0 111.49 -171.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.8 m -165.33 151.89 10.15 Favored 'General case' 0 CA--C 1.603 2.988 0 CA-C-O 126.932 3.253 . . . . 0.0 102.377 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.532 ' HB ' HG23 ' A' ' 82' ' ' THR 0.287 0.2 OUTLIER -134.68 101.69 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.801 0 N-CA-C 100.663 -3.829 . . . . 0.0 100.663 -171.127 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 176.14 112.75 0.32 Allowed Glycine 0 CA--C 1.568 3.371 0 CA-C-N 113.933 -1.485 . . . . 0.0 115.579 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.12 106.51 5.01 Favored 'General case' 0 CA--C 1.585 2.297 0 CA-C-O 116.231 -1.843 . . . . 0.0 113.671 170.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -162.06 113.6 1.66 Allowed 'General case' 0 C--N 1.384 2.089 0 N-CA-C 106.074 -1.825 . . . . 0.0 106.074 -173.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.294 38.2 pttt -39.79 -53.37 2.25 Favored 'General case' 0 CA--C 1.576 1.977 1 N-CA-C 124.885 5.143 . . . . 0.0 124.885 175.978 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.343 0.6 OUTLIER -65.64 -49.1 69.9 Favored 'General case' 0 CA--C 1.579 2.096 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 163.168 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -41.95 -68.7 0.66 Allowed Glycine 0 CA--C 1.55 2.255 0 C-N-CA 128.525 2.964 . . . . 0.0 117.67 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.6 tp -49.62 -48.54 76.09 Favored Pre-proline 0 CA--C 1.585 2.32 0 N-CA-C 117.192 2.293 . . . . 0.0 117.192 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -54.77 -41.06 81.59 Favored 'Trans proline' 0 N--CA 1.529 3.593 0 N-CA-C 122.106 3.848 . . . . 0.0 122.106 161.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.8 m -56.48 -56.28 23.24 Favored 'General case' 0 CA--C 1.589 2.467 0 N-CA-C 118.251 2.686 . . . . 0.0 118.251 166.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.1 tp -56.94 -38.04 72.35 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 119.517 3.154 . . . . 0.0 119.517 167.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.485 38.0 t -58.96 -52.04 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.812 0 C-N-CA 127.247 2.219 . . . . 0.0 116.525 165.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.27 -51.71 42.52 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 119.868 3.284 . . . . 0.0 119.868 170.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -55.94 -42.46 76.18 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 165.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.31 28.1 m-70 -60.69 -45.38 94.4 Favored 'General case' 0 C--N 1.4 2.764 1 N-CA-C 123.129 4.492 . . . . 0.0 123.129 166.362 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.583 2.242 0 N-CA-C 116.801 2.149 . . . . 0.0 116.801 163.115 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.286 11.1 pt-20 . . . . . 0 CA--C 1.558 1.278 0 CA-C-O 124.228 1.966 . . . . 0.0 108.775 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.58 167.22 50.55 Favored Glycine 0 N--CA 1.502 3.09 0 C-N-CA 126.819 2.152 . . . . 0.0 114.16 168.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -151.94 126.41 9.41 Favored 'General case' 0 CA--C 1.57 1.742 0 CA-C-N 112.276 -1.962 . . . . 0.0 106.224 -163.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.282 38.8 t -104.49 119.92 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.962 1 C-N-CA 131.878 4.071 . . . . 0.0 104.176 -177.375 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -135.53 130.99 50.85 Favored 'Isoleucine or valine' 1 N--CA 1.54 4.074 0 C-N-CA 129.686 3.194 . . . . 0.0 105.652 -179.542 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.42 152.94 13.49 Favored 'General case' 0 N--CA 1.515 2.824 0 N-CA-C 117.897 2.554 . . . . 0.0 117.897 153.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.596 ' SG ' HD13 ' A' ' 61' ' ' LEU . 68.9 m -150.41 144.07 25.21 Favored 'General case' 0 CA--C 1.606 3.132 0 CA-C-O 126.473 3.035 . . . . 0.0 108.943 -170.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -137.79 -46.59 0.54 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 119.411 -2.056 . . . . 0.0 116.234 -149.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -145.5 -169.51 3.23 Favored 'General case' 0 CA--C 1.607 3.173 0 C-N-CA 127.319 2.248 . . . . 0.0 113.422 -161.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.4 p -49.48 -18.43 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.533 3.701 0 N-CA-C 119.206 3.039 . . . . 0.0 119.206 156.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -56.22 -44.27 79.4 Favored 'General case' 0 C--N 1.365 1.265 0 O-C-N 117.138 -3.476 . . . . 0.0 115.585 164.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.43 3.8 t -58.6 -32.42 68.98 Favored 'General case' 0 N--CA 1.528 3.466 0 N-CA-C 117.279 2.326 . . . . 0.0 117.279 167.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -51.46 -37.05 46.9 Favored 'General case' 0 N--CA 1.507 2.393 0 N-CA-C 118.215 2.672 . . . . 0.0 118.215 160.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.271 27.6 mtmt -56.88 -59.03 5.65 Favored 'General case' 0 CA--C 1.561 1.396 0 CA-C-O 113.239 -3.267 . . . . 0.0 117.236 156.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -61.39 -64.67 0.87 Allowed 'General case' 0 CA--C 1.585 2.313 0 CA-C-N 121.997 2.18 . . . . 0.0 113.961 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -55.59 -59.76 4.39 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 129.054 2.942 . . . . 0.0 116.158 -178.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.313 1.7 t80 -58.67 -60.51 3.71 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 175.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.261 5.2 mm-40 -47.95 -56.48 7.52 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 120.393 3.479 . . . . 0.0 120.393 173.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -55.35 -60.21 3.72 Favored 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 117.756 2.502 . . . . 0.0 117.756 164.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.05 -86.78 0.01 OUTLIER Glycine 0 CA--C 1.554 2.516 0 N-CA-C 118.763 2.265 . . . . 0.0 118.763 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -69.53 99.17 1.23 Allowed 'General case' 0 CA--C 1.577 2.003 0 CA-C-O 123.713 1.721 . . . . 0.0 111.258 155.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.07 -54.44 0.45 Allowed Glycine 0 CA--C 1.559 2.843 0 CA-C-N 113.058 -1.883 . . . . 0.0 114.484 159.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.3 m -82.24 130.18 35.03 Favored 'General case' 0 CA--C 1.609 3.231 0 O-C-N 128.561 3.153 . . . . 0.0 111.049 171.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -56.75 77.54 0.0 OUTLIER 'General case' 0 CA--C 1.587 2.385 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 162.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -157.89 155.22 29.21 Favored 'General case' 0 CA--C 1.582 2.202 0 C-N-CA 127.712 2.405 . . . . 0.0 108.549 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 58' ' ' VAL 0.273 32.5 tp -76.72 152.48 35.68 Favored 'General case' 0 CA--C 1.606 3.131 0 CA-C-O 125.756 2.693 . . . . 0.0 112.264 152.087 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.3 pt -145.48 123.85 5.14 Favored 'Isoleucine or valine' 0 CA--C 1.605 3.066 0 N-CA-C 101.011 -3.7 . . . . 0.0 101.011 177.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.9 t -119.85 141.73 38.64 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.019 0 C-N-CA 130.287 3.435 . . . . 0.0 103.796 -177.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.413 6.8 p -151.1 104.56 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.85 0 CA-C-N 113.476 -1.693 . . . . 0.0 109.028 -161.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -58.51 141.69 51.13 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 120.432 3.493 . . . . 0.0 120.432 149.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -131.07 110.04 10.91 Favored 'General case' 0 C--O 1.293 3.381 1 C-N-CA 134.046 4.938 . . . . 0.0 102.158 177.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 t -146.71 152.26 38.54 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 103.235 -2.876 . . . . 0.0 103.235 -165.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.25 159.62 20.94 Favored 'General case' 0 N--CA 1.509 2.517 0 C-N-CA 127.156 2.182 . . . . 0.0 115.173 155.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 t -63.16 -43.58 97.89 Favored 'General case' 0 CA--C 1.588 2.414 0 C-N-CA 126.304 1.842 . . . . 0.0 108.433 161.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.297 60.9 p-90 -67.13 67.12 0.07 Allowed 'General case' 0 CA--C 1.613 3.375 0 N-CA-C 117.918 2.562 . . . . 0.0 117.918 162.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.9 t -166.01 89.21 0.88 Allowed Pre-proline 0 N--CA 1.509 2.513 0 O-C-N 121.356 -0.84 . . . . 0.0 108.737 -176.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -54.83 -45.65 39.32 Favored 'Trans proline' 0 CA--C 1.568 2.18 0 C-N-CA 125.151 3.901 . . . . 0.0 118.844 165.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -40.13 -50.53 3.46 Favored 'Trans proline' 1 N--CA 1.564 5.668 0 N-CA-C 122.32 3.931 . . . . 0.0 122.32 162.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 81' ' ' PRO 0.42 5.0 m -69.35 -29.01 66.72 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 117.734 2.494 . . . . 0.0 117.734 164.179 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.265 57.8 tttp -47.89 -49.73 28.87 Favored 'General case' 0 CA--C 1.581 2.164 0 O-C-N 116.666 -3.771 . . . . 0.0 116.062 161.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.408 3.7 ptt? -60.54 -48.4 81.95 Favored 'General case' 0 CA--C 1.587 2.379 0 CA-C-O 126.016 2.817 . . . . 0.0 118.062 162.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.34 1.0 OUTLIER -55.22 -34.78 33.89 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.547 0 N-CA-C 118.914 2.931 . . . . 0.0 118.914 175.609 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.453 ' HB3' ' HD3' ' A' ' 46' ' ' PRO 0.255 . . -48.56 -60.87 3.82 Favored Pre-proline 0 CA--C 1.584 2.267 0 CA-C-O 115.051 -2.404 . . . . 0.0 114.317 172.263 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' A' ' 45' ' ' ALA 0.412 25.8 Cg_exo -53.55 -43.22 59.54 Favored 'Trans proline' 0 CA--C 1.555 1.56 1 C-N-CA 126.098 4.532 . . . . 0.0 118.927 163.405 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.447 29.5 mm -50.16 -56.6 3.44 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.184 0 N-CA-C 121.399 3.851 . . . . 0.0 121.399 162.282 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -54.83 -28.32 48.7 Favored 'General case' 0 N--CA 1.51 2.553 0 C-N-CA 126.467 1.907 . . . . 0.0 113.849 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.93 -45.21 64.61 Favored 'General case' 0 C--O 1.282 2.771 0 N-CA-C 120.652 3.575 . . . . 0.0 120.652 163.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -58.83 -52.4 65.89 Favored 'General case' 0 N--CA 1.516 2.863 0 O-C-N 119.853 -1.78 . . . . 0.0 112.09 166.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.38 -47.09 47.94 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 168.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.74 -45.14 78.06 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 119.542 3.164 . . . . 0.0 119.542 173.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -57.3 -42.7 82.27 Favored 'General case' 0 CA--C 1.563 1.47 0 N-CA-C 115.556 1.688 . . . . 0.0 115.556 166.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.345 33.2 ttmt -51.09 -38.96 54.88 Favored 'General case' 1 CA--C 1.63 4.042 0 N-CA-C 118.706 2.854 . . . . 0.0 118.706 167.855 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . 0.292 2.5 m-85 -134.7 103.88 10.99 Favored Pre-proline 1 CA--C 1.632 4.097 0 O-C-N 125.838 1.961 . . . . 0.0 108.22 -156.618 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.291 44.1 Cg_endo -70.95 -39.16 4.45 Favored 'Trans proline' 0 N--CA 1.526 3.423 2 C-N-CA 129.277 6.651 . . . . 0.0 128.424 167.503 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -57.69 -4.11 0.25 Allowed 'General case' 1 CA--C 1.642 4.494 0 C-N-CA 127.068 2.147 . . . . 0.0 114.192 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 28' ' ' LEU 0.274 3.6 p -144.85 110.66 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.337 0 CA-C-O 125.738 2.685 . . . . 0.0 107.787 -152.107 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.3 m -65.27 158.15 27.06 Favored 'General case' 0 CA--C 1.606 3.111 0 O-C-N 119.161 -2.212 . . . . 0.0 113.416 164.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -149.44 114.39 5.41 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 117.077 -3.514 . . . . 0.0 109.09 -167.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.596 HD13 ' SG ' ' A' ' 9' ' ' CYS . 1.1 pp -143.74 155.44 44.19 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 126.195 1.798 . . . . 0.0 110.73 -166.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -151.53 121.91 7.32 Favored 'General case' 0 C--O 1.261 1.687 0 CA-C-O 126.236 2.922 . . . . 0.0 108.994 -164.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 70.3 t -94.12 131.41 41.1 Favored 'Isoleucine or valine' 1 CA--C 1.668 5.486 0 C-N-CA 129.273 3.029 . . . . 0.0 108.34 -176.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -75.55 100.73 4.66 Favored 'General case' 0 N--CA 1.512 2.632 0 CA-C-N 112.081 -2.327 . . . . 0.0 110.199 157.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.321 2.9 p -45.46 -42.81 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.446 0 C-N-CA 129.643 3.177 . . . . 0.0 118.341 173.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.462 8.5 m-20 -53.43 -54.38 37.8 Favored 'General case' 0 N--CA 1.533 3.696 0 CA-C-N 120.702 1.592 . . . . 0.0 111.774 169.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.399 42.7 mt-10 -52.21 -31.37 31.58 Favored 'General case' 0 CA--C 1.605 3.093 0 N-CA-C 118.214 2.672 . . . . 0.0 118.214 170.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.6 mt -156.09 64.9 0.57 Allowed 'General case' 0 CA--C 1.624 3.82 0 O-C-N 116.622 -3.799 . . . . 0.0 107.153 -170.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -63.54 -49.2 74.4 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 119.285 3.068 . . . . 0.0 119.285 165.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.92 -63.91 0.97 Allowed 'General case' 1 CA--C 1.636 4.288 0 N-CA-C 119.143 3.016 . . . . 0.0 119.143 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.0 p -59.57 -35.6 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.197 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 164.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.82 -51.34 67.82 Favored 'General case' 0 N--CA 1.515 2.81 0 O-C-N 117.485 -3.259 . . . . 0.0 113.99 170.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -50.88 -50.49 57.07 Favored 'General case' 0 N--CA 1.491 1.609 1 CA-C-O 109.656 -4.973 . . . . 0.0 109.492 172.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.478 0.0 OUTLIER -48.73 -56.77 7.65 Favored 'General case' 0 CA--C 1.617 3.545 0 O-C-N 127.113 2.758 . . . . 0.0 115.644 177.601 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -59.49 -43.57 93.28 Favored 'General case' 0 C--N 1.41 3.197 0 CA-C-O 116.289 -1.815 . . . . 0.0 111.829 176.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.409 28.8 t-20 147.61 86.66 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 113.769 -3.015 . . . . 0.0 107.782 148.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.1 t -145.9 86.86 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.433 1 N-CA-C 98.286 -4.709 . . . . 0.0 98.286 -169.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.423 ' H ' ' HG3' ' A' ' 78' ' ' GLU 0.306 0.0 OUTLIER -85.24 -9.36 57.84 Favored 'General case' 0 N--CA 1.415 -2.183 0 C-N-CA 129.62 3.168 . . . . 0.0 116.627 148.461 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . 0.338 . . -152.66 143.76 23.1 Favored 'General case' 0 N--CA 1.537 3.879 0 CA-C-O 125.445 2.545 . . . . 0.0 112.008 -170.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.4 mmt -67.82 128.23 93.4 Favored Pre-proline 1 CA--C 1.66 5.181 0 N-CA-C 117.215 2.302 . . . . 0.0 117.215 153.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HB2' ' SG ' ' A' ' 41' ' ' CYS 0.46 93.5 Cg_endo -143.24 159.33 0.0 OUTLIER 'Cis proline' 0 C--O 1.158 -3.489 1 C-N-CA 117.095 -4.127 . . . . 0.0 116.563 -15.634 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 m -131.32 121.08 24.08 Favored 'General case' 0 C--O 1.271 2.195 1 CA-C-N 107.154 -4.567 . . . . 0.0 111.083 -140.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -99.63 128.44 45.74 Favored 'General case' 0 C--N 1.381 1.945 1 CA-C-O 129.862 4.649 . . . . 0.0 110.748 173.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.257 2.0 mt -128.09 134.8 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.542 0 CA-C-N 109.138 -3.664 . . . . 0.0 108.225 -174.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.451 ' HB2' ' HB3' ' A' ' 93' ' ' ASP . 71.3 m-85 -123.46 104.88 9.35 Favored 'General case' 0 C--O 1.264 1.831 2 O-C-N 131.819 5.699 . . . . 0.0 101.942 -166.419 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.98 129.47 49.3 Favored 'General case' 0 C--N 1.382 1.988 1 CA-C-O 129.164 4.316 . . . . 0.0 101.313 -179.195 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.306 52.8 tttt -141.06 169.07 18.31 Favored 'General case' 0 N--CA 1.527 3.399 0 O-C-N 117.555 -3.216 . . . . 0.0 105.826 -172.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -51.76 57.94 0.0 OUTLIER 'General case' 0 C--N 1.392 2.436 1 N-CA-C 122.474 4.249 . . . . 0.0 122.474 163.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 175.59 51.32 0.06 OUTLIER Glycine 0 CA--C 1.556 2.64 0 C-N-CA 128.241 2.829 . . . . 0.0 110.125 167.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt 57.81 -160.01 0.25 Allowed 'General case' 0 CA--C 1.618 3.569 0 CA-C-N 122.655 3.228 . . . . 0.0 115.962 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.9 tp -61.48 86.8 0.02 OUTLIER 'General case' 0 CA--C 1.581 2.14 0 C-N-CA 129.152 2.981 . . . . 0.0 118.108 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.271 27.7 m -68.37 -50.56 55.9 Favored 'Isoleucine or valine' 0 CA--C 1.613 3.384 1 CA-C-O 111.489 -4.1 . . . . 0.0 118.191 175.516 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.451 ' HB3' ' HB2' ' A' ' 85' ' ' PHE . 21.5 t70 -157.38 164.08 37.91 Favored 'General case' 0 CA--C 1.615 3.448 0 CA-C-N 122.684 2.493 . . . . 0.0 108.053 -166.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.36 144.3 20.72 Favored 'General case' 0 C--O 1.275 2.41 0 O-C-N 126.701 2.5 . . . . 0.0 112.583 -177.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 36.6 m -162.11 111.66 1.5 Allowed 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 103.451 -2.796 . . . . 0.0 103.451 -177.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.25 4.0 p -93.08 97.43 7.17 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.358 0 C-N-CA 130.372 3.469 . . . . 0.0 106.136 176.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 152.88 99.13 0.18 Allowed Glycine 0 C--O 1.29 3.616 0 CA-C-N 112.79 -2.004 . . . . 0.0 112.518 160.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.36 134.25 18.92 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 118.762 2.875 . . . . 0.0 118.762 166.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -153.75 133.22 12.83 Favored 'General case' 0 C--N 1.397 2.647 0 N-CA-C 102.261 -3.237 . . . . 0.0 102.261 -175.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.292 54.3 pttt -50.11 -58.64 5.1 Favored 'General case' 0 CA--C 1.612 3.337 0 N-CA-C 118.577 2.806 . . . . 0.0 118.577 178.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -70.27 -44.53 68.23 Favored 'General case' 0 CA--C 1.614 3.43 0 N-CA-C 118.873 2.916 . . . . 0.0 118.873 168.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -48.85 -43.2 30.23 Favored Glycine 0 C--N 1.344 0.976 0 CA-C-O 125.703 2.835 . . . . 0.0 119.79 177.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.279 37.8 tp -53.41 -68.8 0.4 Allowed Pre-proline 0 CA--C 1.602 2.98 0 O-C-N 117.284 -3.48 . . . . 0.0 109.933 168.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -38.08 -42.3 1.46 Allowed 'Trans proline' 0 C--O 1.214 -0.681 3 C-N-CA 127.564 5.509 . . . . 0.0 124.592 157.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 m -56.79 -60.57 3.37 Favored 'General case' 0 C--O 1.269 2.079 0 N-CA-C 118.303 2.705 . . . . 0.0 118.303 173.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 40.8 tp -58.98 -51.28 70.76 Favored 'General case' 0 CA--C 1.587 2.369 0 C-N-CA 127.706 2.402 . . . . 0.0 116.129 170.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 62.0 t -52.06 -55.6 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 CA-C-N 122.08 2.218 . . . . 0.0 112.55 173.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.79 -41.89 24.59 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 119.992 3.33 . . . . 0.0 119.992 168.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -58.53 -48.11 81.95 Favored 'General case' 0 CA--C 1.6 2.889 0 N-CA-C 117.792 2.516 . . . . 0.0 117.792 158.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.356 4.2 m-70 -59.87 -66.69 0.48 Allowed 'General case' 0 CA--C 1.577 1.986 0 C-N-CA 129.631 3.172 . . . . 0.0 113.543 174.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.525 3.277 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 172.193 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.423 8.2 pt-20 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 123.952 1.834 . . . . 0.0 115.857 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.6 170.38 13.08 Favored Glycine 0 N--CA 1.507 3.408 0 CA-C-N 110.976 -2.829 . . . . 0.0 117.219 157.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -150.22 108.57 3.78 Favored 'General case' 0 CA--C 1.567 1.602 0 CA-C-O 123.268 1.508 . . . . 0.0 108.361 -165.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.9 t -82.21 126.26 39.93 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 CA-C-N 112.41 -2.177 . . . . 0.0 107.594 173.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.251 0.3 OUTLIER -132.32 129.96 59.95 Favored 'Isoleucine or valine' 0 C--O 1.303 3.919 0 C-N-CA 128.572 2.749 . . . . 0.0 104.052 -177.568 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.93 149.92 49.18 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 119.502 -1.999 . . . . 0.0 115.315 159.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.466 ' SG ' HD13 ' A' ' 61' ' ' LEU . 66.9 m -149.7 125.57 10.51 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-O 125.101 2.381 . . . . 0.0 106.153 -164.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -123.47 -41.0 2.31 Favored 'General case' 0 CA--C 1.618 3.586 0 C-N-CA 130.868 3.667 . . . . 0.0 113.7 -160.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.2 p -149.54 -170.96 3.77 Favored 'General case' 0 CA--C 1.592 2.589 0 C-N-CA 126.749 2.02 . . . . 0.0 108.806 -167.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 p -59.37 -11.14 2.25 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.98 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 172.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.42 -38.96 72.26 Favored 'General case' 0 CA--C 1.586 2.348 1 CA-C-O 110.421 -4.609 . . . . 0.0 115.92 153.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.49 -38.51 59.66 Favored 'General case' 0 CA--C 1.617 3.542 0 CA-C-N 124.745 3.43 . . . . 0.0 115.996 158.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 41.0 m95 -51.4 -52.22 47.86 Favored 'General case' 0 N--CA 1.504 2.239 0 CA-C-N 120.948 1.704 . . . . 0.0 115.332 165.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.357 38.1 mtmt -52.08 -34.67 44.92 Favored 'General case' 0 CA--C 1.606 3.111 1 N-CA-C 121.81 4.004 . . . . 0.0 121.81 163.919 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -73.05 -63.51 1.16 Allowed 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 173.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -59.6 -58.41 8.72 Favored 'General case' 0 N--CA 1.506 2.343 1 C-N-CA 134.496 5.119 . . . . 0.0 119.079 -172.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.301 0.2 OUTLIER -64.52 -53.65 44.64 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 128.025 2.53 . . . . 0.0 116.665 174.024 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -49.14 -53.22 21.89 Favored 'General case' 0 C--O 1.268 2.076 0 N-CA-C 118.704 2.853 . . . . 0.0 118.704 166.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -57.65 -59.23 5.51 Favored 'General case' 0 CA--C 1.614 3.431 0 CA-C-O 123.456 1.598 . . . . 0.0 114.018 169.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.2 -83.79 0.02 OUTLIER Glycine 0 C--O 1.256 1.476 0 CA-C-O 123.576 1.653 . . . . 0.0 116.61 177.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -80.58 92.55 5.95 Favored 'General case' 0 C--N 1.288 -2.089 0 C-N-CA 126.141 1.776 . . . . 0.0 109.562 162.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.39 -31.64 0.23 Allowed Glycine 0 CA--C 1.55 2.224 0 CA-C-N 111.633 -2.53 . . . . 0.0 115.608 167.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.4 m -119.52 136.31 54.4 Favored 'General case' 0 CA--C 1.602 2.963 0 C-N-CA 131.536 3.934 . . . . 0.0 101.994 -167.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -70.08 74.53 0.48 Allowed 'General case' 0 CA--C 1.597 2.785 0 C-N-CA 127.13 2.172 . . . . 0.0 114.304 163.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -156.0 156.22 34.08 Favored 'General case' 0 CA--C 1.585 2.316 0 CA-C-O 125.721 2.677 . . . . 0.0 108.313 -178.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 10.1 tp -79.15 138.13 37.76 Favored 'General case' 0 CA--C 1.627 3.916 0 CA-C-N 111.52 -2.582 . . . . 0.0 115.615 152.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.423 HG22 ' HB ' ' A' ' 59' ' ' THR 0.433 1.0 OUTLIER -133.71 121.71 41.04 Favored 'Isoleucine or valine' 0 CA--C 1.627 3.941 0 C-N-CA 131.276 3.831 . . . . 0.0 107.039 -177.513 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.4 t -129.65 131.17 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 CA-C-N 111.886 -2.415 . . . . 0.0 105.483 -160.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.28 2.5 p -138.99 104.95 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.318 1 O-C-N 129.804 4.44 . . . . 0.0 115.665 -164.955 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -62.87 148.55 46.84 Favored 'General case' 0 N--CA 1.521 3.124 0 CA-C-O 124.542 2.115 . . . . 0.0 110.172 158.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -144.7 98.11 3.13 Favored 'General case' 0 C--N 1.406 3.06 1 N-CA-C 98.01 -4.811 . . . . 0.0 98.01 -178.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.536 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 8.5 t -153.95 151.68 29.7 Favored 'General case' 0 CA--C 1.585 2.308 0 CA-C-O 128.174 3.845 . . . . 0.0 103.456 -172.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.402 ' HB1' ' CD1' ' A' ' 37' ' ' TRP 0.33 . . -77.36 134.26 38.52 Favored 'General case' 0 C--O 1.296 3.506 1 CA-C-N 108.324 -4.035 . . . . 0.0 116.752 160.887 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.3 t -47.87 -40.48 21.7 Favored 'General case' 0 CA--C 1.567 1.625 0 N-CA-C 118.182 2.66 . . . . 0.0 118.182 169.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.402 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 3.1 p-90 -68.64 88.55 0.36 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 127.515 3.009 . . . . 0.0 111.288 152.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.9 t -177.09 96.89 0.23 Allowed Pre-proline 0 C--O 1.182 -2.487 0 O-C-N 117.207 -3.433 . . . . 0.0 106.106 176.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -52.21 -48.79 19.94 Favored 'Trans proline' 0 N--CA 1.505 2.17 1 C-N-CA 126.851 5.034 . . . . 0.0 115.163 168.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.321 24.6 Cg_exo -44.73 -45.34 13.57 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 124.651 3.568 . . . . 0.0 118.204 167.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.468 ' HA ' HG22 ' A' ' 44' ' ' ILE 0.601 78.5 m -69.78 -31.63 69.66 Favored 'General case' 0 C--O 1.205 -1.281 1 N-CA-C 123.402 4.593 . . . . 0.0 123.402 165.587 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -57.43 -45.85 84.2 Favored 'General case' 0 N--CA 1.505 2.314 0 N-CA-C 119.596 3.184 . . . . 0.0 119.596 159.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 15.0 ptm -64.17 -48.23 76.79 Favored 'General case' 0 C--N 1.399 2.747 0 CA-C-N 121.678 2.036 . . . . 0.0 113.371 159.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.468 HG22 ' HA ' ' A' ' 41' ' ' CYS 0.588 1.0 OUTLIER -45.77 -38.37 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.742 1 N-CA-C 123.335 4.569 . . . . 0.0 123.335 169.341 . . . . . . . . 5 4 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.463 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . . . -54.74 -54.54 48.22 Favored Pre-proline 0 CA--C 1.614 3.405 0 CA-C-O 114.036 -2.888 . . . . 0.0 117.87 169.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.463 ' HD3' ' HB3' ' A' ' 45' ' ' ALA . 25.8 Cg_exo -45.96 -44.26 18.96 Favored 'Trans proline' 0 CA--C 1.583 2.949 0 C-N-CA 124.869 3.712 . . . . 0.0 120.543 153.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.308 28.5 mm -52.16 -57.08 4.32 Favored 'Isoleucine or valine' 1 N--CA 1.55 4.556 0 CA-C-N 122.039 2.2 . . . . 0.0 113.81 163.11 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -44.02 -44.56 7.42 Favored 'General case' 0 N--CA 1.519 2.989 0 N-CA-C 118.792 2.886 . . . . 0.0 118.792 171.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.16 -45.74 76.14 Favored 'General case' 0 CA--C 1.62 3.648 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 168.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -53.9 -52.62 59.95 Favored 'General case' 0 CA--C 1.599 2.828 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 168.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.374 1.4 tm? -62.91 -36.0 81.93 Favored 'General case' 0 C--O 1.192 -1.965 0 C-N-CA 126.22 1.808 . . . . 0.0 113.3 174.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.26 77.61 Favored 'General case' 0 C--N 1.378 1.816 0 O-C-N 118.703 -2.498 . . . . 0.0 117.071 160.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -60.2 -33.04 71.68 Favored 'General case' 0 CA--C 1.605 3.075 0 CA-C-O 114.268 -2.777 . . . . 0.0 117.676 165.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.26 39.3 ttmt -65.63 -30.96 71.74 Favored 'General case' 0 C--O 1.28 2.698 0 C-N-CA 127.703 2.401 . . . . 0.0 116.958 167.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -140.47 97.56 7.48 Favored Pre-proline 0 CA--C 1.625 3.854 0 C-N-CA 127.385 2.274 . . . . 0.0 107.595 -157.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -85.99 -6.21 8.54 Favored 'Trans proline' 0 N--CA 1.497 1.725 2 C-N-CA 132.313 8.676 . . . . 0.0 129.41 170.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.415 HD21 ' HB1' ' A' ' 111' ' ' ALA . 1.7 p30 -76.89 11.57 1.7 Allowed 'General case' 0 N--CA 1.514 2.729 1 O-C-N 116.027 -4.17 . . . . 0.0 117.187 164.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 28' ' ' LEU 0.373 3.4 p -149.16 99.78 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.627 3.929 0 CA-C-O 117.112 -1.423 . . . . 0.0 107.961 -151.567 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.423 ' HB ' HG22 ' A' ' 29' ' ' ILE . 48.3 m -61.17 151.77 30.46 Favored 'General case' 0 N--CA 1.533 3.691 0 CA-C-O 125.618 2.628 . . . . 0.0 113.004 160.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -138.87 144.03 39.0 Favored 'General case' 0 C--O 1.201 -1.478 0 C-N-CA 127.126 2.171 . . . . 0.0 111.01 -172.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.466 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.306 1.5 pp -155.08 164.86 38.27 Favored 'General case' 0 CA--C 1.628 3.951 0 CA-C-O 124.834 2.254 . . . . 0.0 108.555 -174.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.334 10.3 ptmm? -152.91 107.61 3.18 Favored 'General case' 0 CA--C 1.617 3.537 0 CA-C-N 110.617 -2.992 . . . . 0.0 116.892 -168.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.0 t -92.24 119.55 39.93 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.049 0 C-N-CA 130.806 3.642 . . . . 0.0 106.299 -169.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -69.58 105.51 2.69 Favored 'General case' 0 C--O 1.196 -1.719 0 N-CA-C 103.021 -2.955 . . . . 0.0 103.021 163.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.423 HG11 ' SD ' ' A' ' 80' ' ' MET 0.399 1.1 p -52.47 -39.32 28.65 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.265 0 N-CA-C 120.191 3.404 . . . . 0.0 120.191 178.081 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.34 21.5 m-20 -51.6 -54.66 25.39 Favored 'General case' 0 N--CA 1.536 3.831 0 CA-C-N 112.665 -2.061 . . . . 0.0 111.377 175.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -52.58 -26.74 14.23 Favored 'General case' 0 C--O 1.284 2.912 0 N-CA-C 119.414 3.116 . . . . 0.0 119.414 159.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.3 mt -159.02 53.73 0.41 Allowed 'General case' 0 N--CA 1.507 2.417 0 CA-C-N 125.286 3.675 . . . . 0.0 107.867 -160.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -69.4 -50.22 48.05 Favored 'General case' 0 C--N 1.386 2.194 0 CA-C-N 111.172 -2.74 . . . . 0.0 117.477 171.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.2 -60.27 3.41 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 117.077 -3.514 . . . . 0.0 119.296 174.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.2 p -50.2 -51.19 18.39 Favored 'Isoleucine or valine' 0 C--O 1.295 3.46 0 N-CA-C 117.936 2.569 . . . . 0.0 117.936 164.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.79 -59.27 2.61 Favored 'General case' 0 C--N 1.389 2.324 0 CA-C-O 115.588 -2.149 . . . . 0.0 112.615 171.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -53.71 -46.08 70.64 Favored 'General case' 0 CA--C 1.597 2.772 1 CA-C-O 109.373 -5.108 . . . . 0.0 112.014 173.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.524 0.0 OUTLIER -51.65 -51.23 57.47 Favored 'General case' 0 C--O 1.205 -1.243 1 N-CA-C 124.055 4.835 . . . . 0.0 124.055 171.947 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.321 31.7 m95 -50.95 -53.22 34.83 Favored 'General case' 0 N--CA 1.527 3.38 0 CA-C-O 112.553 -3.594 . . . . 0.0 116.113 162.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 149.69 82.04 0.0 OUTLIER 'General case' 0 CA--C 1.579 2.064 1 O-C-N 130.31 4.756 . . . . 0.0 105.623 150.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . 0.263 61.6 t -130.2 78.72 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 126.521 2.388 . . . . 0.0 109.479 -174.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.312 8.4 pt-20 -71.85 -12.42 61.27 Favored 'General case' 0 N--CA 1.516 2.86 0 N-CA-C 120.942 3.682 . . . . 0.0 120.942 158.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.26 145.49 26.23 Favored 'General case' 0 CA--C 1.576 1.969 0 CA-C-N 114.492 -1.231 . . . . 0.0 113.98 -163.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.536 ' SD ' ' HA ' ' A' ' 34' ' ' THR 0.398 12.2 mmt -73.78 121.96 86.44 Favored Pre-proline 0 C--O 1.305 3.993 0 CA-C-O 113.071 -3.347 . . . . 0.0 105.017 167.742 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.302 67.6 Cg_endo -151.97 150.9 0.0 OUTLIER 'Cis proline' 0 CA--C 1.603 3.971 1 CA-C-O 131.488 4.704 . . . . 0.0 118.619 -17.846 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.9 m -120.43 130.64 54.42 Favored 'General case' 0 CA--C 1.621 3.69 1 CA-C-O 130.591 4.996 . . . . 0.0 105.118 -137.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -119.49 109.67 16.0 Favored 'General case' 0 CA--C 1.61 3.264 0 C-N-CA 130.601 3.56 . . . . 0.0 105.151 -174.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.372 2.7 mt -106.31 137.7 35.41 Favored 'Isoleucine or valine' 1 CA--C 1.64 4.439 0 CA-C-N 109.646 -3.434 . . . . 0.0 106.452 -172.323 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -130.7 105.8 8.05 Favored 'General case' 0 CA--C 1.581 2.162 0 N-CA-C 101.99 -3.337 . . . . 0.0 101.99 -158.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.77 128.18 24.44 Favored 'General case' 0 CA--C 1.571 1.754 0 O-C-N 118.471 -2.643 . . . . 0.0 104.684 -167.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -127.4 175.32 8.3 Favored 'General case' 0 C--N 1.293 -1.854 1 C-N-CA 133.144 4.577 . . . . 0.0 115.624 -172.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -53.56 55.53 0.0 OUTLIER 'General case' 1 N--CA 1.561 5.091 0 O-C-N 120.04 -1.663 . . . . 0.0 114.211 150.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.85 22.95 0.06 OUTLIER Glycine 1 CA--C 1.601 5.435 0 CA-C-O 116.124 -2.486 . . . . 0.0 111.186 177.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.418 ' HG2' ' H ' ' A' ' 91' ' ' LEU 0.556 12.4 ttmt 65.7 -167.15 0.22 Allowed 'General case' 0 CA--C 1.592 2.567 0 CA-C-N 122.269 3.034 . . . . 0.0 117.146 -160.587 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.418 ' H ' ' HG2' ' A' ' 90' ' ' LYS . 55.6 tp -59.44 101.37 0.1 Allowed 'General case' 0 C--O 1.295 3.486 0 CA-C-O 126.618 3.104 . . . . 0.0 113.051 172.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.384 11.1 m -74.96 -40.23 45.31 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.289 0 N-CA-C 119.801 3.26 . . . . 0.0 119.801 171.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -165.33 171.13 13.86 Favored 'General case' 0 CA--C 1.615 3.476 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -171.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.96 137.69 12.15 Favored 'General case' 0 C--N 1.368 1.391 0 CA-C-N 113.742 -1.572 . . . . 0.0 109.69 -173.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.3 m -166.98 141.68 3.99 Favored 'General case' 0 C--O 1.262 1.73 0 N-CA-C 100.629 -3.841 . . . . 0.0 100.629 177.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.33 96.37 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.169 1 CA-C-N 108.121 -4.127 . . . . 0.0 109.534 -171.026 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.37 106.99 0.19 Allowed Glycine 0 CA--C 1.552 2.384 0 CA-C-N 111.097 -2.774 . . . . 0.0 116.347 171.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.27 120.1 10.92 Favored 'General case' 0 N--CA 1.505 2.281 0 C-N-CA 125.47 1.508 . . . . 0.0 113.41 168.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -164.06 125.95 2.35 Favored 'General case' 0 C--N 1.394 2.535 0 N-CA-C 103.497 -2.779 . . . . 0.0 103.497 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.368 57.3 pttt -43.41 -51.11 6.7 Favored 'General case' 0 CA--C 1.596 2.738 1 N-CA-C 122.06 4.096 . . . . 0.0 122.06 -179.357 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.366 2.3 p30 -74.9 -51.92 12.59 Favored 'General case' 0 C--O 1.271 2.228 0 C-N-CA 127.324 2.25 . . . . 0.0 116.404 173.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -51.07 -48.7 45.55 Favored Glycine 0 C--N 1.365 2.162 0 N-CA-C 118.532 2.173 . . . . 0.0 118.532 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.288 44.9 tp -54.82 -53.16 63.93 Favored Pre-proline 0 CA--C 1.607 3.137 0 C-N-CA 126.364 1.866 . . . . 0.0 114.936 175.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -45.48 -51.18 8.32 Favored 'Trans proline' 0 C--N 1.413 3.971 0 N-CA-C 120.516 3.237 . . . . 0.0 120.516 157.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.255 90.5 m -50.19 -50.93 47.8 Favored 'General case' 0 CA--C 1.622 3.744 0 CA-C-O 113.66 -3.067 . . . . 0.0 117.64 164.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.255 41.4 tp -52.55 -60.83 2.76 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 117.618 2.451 . . . . 0.0 117.618 168.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.3 t -49.7 -50.52 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.274 0 N-CA-C 121.252 3.797 . . . . 0.0 121.252 167.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.84 -53.4 32.56 Favored 'General case' 0 C--O 1.195 -1.812 0 O-C-N 118.826 -2.421 . . . . 0.0 114.23 168.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -47.33 -48.87 25.16 Favored 'General case' 0 C--N 1.408 3.124 0 O-C-N 119.537 -1.977 . . . . 0.0 113.016 162.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.513 16.1 m-70 -56.97 -64.16 0.97 Allowed 'General case' 0 C--N 1.382 2.009 0 N-CA-C 119.585 3.18 . . . . 0.0 119.585 174.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.415 ' HB1' HD21 ' A' ' 57' ' ' ASN . . . . . . . . 0 CA--C 1.547 0.846 0 O-C-N 128.848 3.842 . . . . 0.0 118.818 169.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 . . . . . 0 N--CA 1.5 2.031 1 CA-C-O 129.249 4.357 . . . . 0.0 112.221 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.91 165.22 53.1 Favored Glycine 0 N--CA 1.48 1.624 0 CA-C-N 110.521 -3.036 . . . . 0.0 108.864 164.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -145.61 110.89 5.31 Favored 'General case' 0 CA--C 1.589 2.442 0 CA-C-N 110.308 -2.946 . . . . 0.0 105.748 -161.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.3 t -83.72 131.3 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 C-N-CA 127.533 2.333 . . . . 0.0 111.13 167.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.45 117.32 27.33 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.807 0 N-CA-C 102.619 -3.104 . . . . 0.0 102.619 -170.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.28 137.9 57.85 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 118.722 -2.486 . . . . 0.0 113.936 165.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.477 ' SG ' HD13 ' A' ' 61' ' ' LEU . 82.4 m -141.36 147.31 37.86 Favored 'General case' 0 C--O 1.188 -2.182 0 C-N-CA 129.336 3.054 . . . . 0.0 108.666 -160.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -147.37 -52.2 0.2 Allowed 'General case' 0 N--CA 1.519 3.025 0 O-C-N 120.176 -1.577 . . . . 0.0 112.398 -155.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 p -137.53 -166.41 1.94 Allowed 'General case' 0 CA--C 1.591 2.544 0 C-N-CA 127.535 2.334 . . . . 0.0 111.278 -155.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 p -54.65 -20.07 4.86 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.979 0 N-CA-C 118.33 2.715 . . . . 0.0 118.33 160.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -56.22 -39.37 72.37 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 117.719 -3.113 . . . . 0.0 118.436 164.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.397 0.6 OUTLIER -60.2 -39.4 86.42 Favored 'General case' 0 CA--C 1.579 2.067 0 N-CA-C 118.497 2.777 . . . . 0.0 118.497 158.493 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -50.94 -41.64 59.19 Favored 'General case' 0 CA--C 1.577 2.017 0 O-C-N 128.003 3.314 . . . . 0.0 116.218 171.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -64.49 -40.86 96.46 Favored 'General case' 0 CA--C 1.582 2.196 1 N-CA-C 122.136 4.125 . . . . 0.0 122.136 160.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -58.27 -58.85 6.68 Favored 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 116.786 2.143 . . . . 0.0 116.786 169.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -58.37 -59.64 5.03 Favored 'General case' 0 C--O 1.201 -1.489 1 C-N-CA 131.845 4.058 . . . . 0.0 116.119 -177.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.383 85.8 t80 -57.48 -55.86 29.36 Favored 'General case' 0 N--CA 1.522 3.148 0 N-CA-C 120.347 3.462 . . . . 0.0 120.347 172.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -56.94 -53.69 55.13 Favored 'General case' 0 N--CA 1.514 2.753 0 O-C-N 126.348 2.28 . . . . 0.0 114.135 171.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.277 27.1 mmtp -54.44 -62.25 1.78 Allowed 'General case' 0 N--CA 1.51 2.556 0 CA-C-N 123.051 2.66 . . . . 0.0 112.6 167.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -37.59 -95.99 0.01 OUTLIER Glycine 1 CA--C 1.587 4.58 0 C-N-CA 128.603 3.002 . . . . 0.0 113.129 176.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -74.84 99.18 3.7 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 123.445 1.593 . . . . 0.0 109.173 162.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.65 -26.54 0.46 Allowed Glycine 1 CA--C 1.584 4.371 0 CA-C-O 126.159 3.088 . . . . 0.0 116.801 159.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.6 m -123.31 118.33 27.3 Favored 'General case' 0 CA--C 1.571 1.784 0 C-N-CA 131.623 3.969 . . . . 0.0 107.517 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.264 1.8 mp0 -59.16 70.31 0.01 OUTLIER 'General case' 1 N--CA 1.539 4.001 0 CA-C-N 110.073 -3.24 . . . . 0.0 113.779 176.069 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -158.26 155.95 29.82 Favored 'General case' 0 C--N 1.29 -2.02 0 CA-C-O 125.135 2.398 . . . . 0.0 105.073 -177.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 tp -71.35 150.57 44.96 Favored 'General case' 0 C--O 1.197 -1.682 0 C-N-CA 126.767 2.027 . . . . 0.0 110.579 154.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.251 1.4 pt -142.08 132.47 24.69 Favored 'Isoleucine or valine' 0 C--O 1.265 1.912 0 N-CA-C 101.216 -3.624 . . . . 0.0 101.216 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -138.28 129.7 37.42 Favored 'Isoleucine or valine' 1 N--CA 1.54 4.038 0 O-C-N 117.891 -3.006 . . . . 0.0 102.937 -167.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.335 2.6 p -140.84 111.55 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.166 0 CA-C-O 125.221 2.438 . . . . 0.0 110.138 -159.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -76.47 108.16 9.25 Favored 'General case' 0 N--CA 1.499 2.003 0 C-N-CA 128.911 2.885 . . . . 0.0 111.464 167.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -87.31 114.01 23.54 Favored 'General case' 0 N--CA 1.509 2.489 0 O-C-N 125.827 1.954 . . . . 0.0 108.961 156.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.693 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 11.4 t -153.79 155.27 35.53 Favored 'General case' 0 CA--C 1.56 1.359 0 CA-C-N 111.514 -2.585 . . . . 0.0 104.371 -175.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.07 146.53 25.45 Favored 'General case' 0 C--N 1.251 -3.693 0 C-N-CA 129.825 3.25 . . . . 0.0 108.788 173.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -42.41 -46.32 4.66 Favored 'General case' 1 N--CA 1.573 5.712 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 171.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 -72.3 89.4 1.21 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.705 2.002 . . . . 0.0 113.125 166.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.8 t -165.68 82.01 1.1 Allowed Pre-proline 0 N--CA 1.488 1.474 0 C-N-CA 128.243 2.617 . . . . 0.0 109.1 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -53.62 -42.69 63.95 Favored 'Trans proline' 0 CA--C 1.554 1.485 0 C-N-CA 123.735 2.957 . . . . 0.0 118.922 167.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -51.24 -58.88 1.38 Allowed 'Trans proline' 1 C--N 1.416 4.131 0 C-N-CA 125.26 3.973 . . . . 0.0 112.194 163.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.299 62.8 m -55.46 -21.86 18.07 Favored 'General case' 0 C--O 1.272 2.251 0 N-CA-C 120.989 3.7 . . . . 0.0 120.989 162.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -53.81 -56.62 15.93 Favored 'General case' 0 CA--C 1.564 1.497 0 O-C-N 116.833 -3.667 . . . . 0.0 111.048 162.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.374 2.1 ptt? -64.03 -40.65 96.79 Favored 'General case' 0 N--CA 1.535 3.78 0 N-CA-C 118.59 2.811 . . . . 0.0 118.59 161.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.344 1.0 OUTLIER -56.9 -35.53 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.697 0 O-C-N 117.655 -3.153 . . . . 0.0 116.36 169.336 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.394 . . -50.33 -57.31 13.35 Favored Pre-proline 0 C--N 1.383 2.035 0 O-C-N 119.282 -2.137 . . . . 0.0 115.569 166.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -49.16 -43.76 35.69 Favored 'Trans proline' 1 CA--C 1.62 4.814 0 C-N-CA 124.508 3.472 . . . . 0.0 117.437 162.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.361 30.3 mm -50.16 -64.04 0.35 Allowed 'Isoleucine or valine' 1 N--CA 1.543 4.187 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 162.695 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.285 3.1 t80 -41.81 -49.65 4.39 Favored 'General case' 0 CA--C 1.57 1.718 0 CA-C-O 112.455 -3.64 . . . . 0.0 116.784 169.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.72 -52.17 63.3 Favored 'General case' 0 CA--C 1.565 1.522 1 N-CA-C 123.957 4.799 . . . . 0.0 123.957 160.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.384 15.1 tt0 -50.89 -56.34 12.73 Favored 'General case' 1 N--CA 1.545 4.279 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 171.269 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.257 1.9 tm? -54.86 -42.26 71.79 Favored 'General case' 0 CA--C 1.585 2.321 0 N-CA-C 118.233 2.679 . . . . 0.0 118.233 169.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.7 -53.19 19.82 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 118.472 -2.643 . . . . 0.0 112.686 161.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -55.13 -38.26 67.97 Favored 'General case' 0 N--CA 1.529 3.517 0 N-CA-C 120.812 3.634 . . . . 0.0 120.812 169.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.299 36.7 ttmt -61.83 -35.12 77.31 Favored 'General case' 0 CA--C 1.616 3.51 0 N-CA-C 116.693 2.109 . . . . 0.0 116.693 173.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -128.46 100.77 22.05 Favored Pre-proline 0 CA--C 1.6 2.89 0 C-N-CA 127.248 2.219 . . . . 0.0 106.928 -158.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.255 25.0 Cg_endo -65.95 -26.4 51.41 Favored 'Trans proline' 1 CA--C 1.67 7.313 2 C-N-CA 129.729 6.952 . . . . 0.0 126.358 171.126 . . . . . . . . 4 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -74.38 2.56 9.12 Favored 'General case' 0 CA--C 1.609 3.237 0 C-N-CA 128.09 2.556 . . . . 0.0 116.966 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.5 p -147.18 115.34 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.612 3.335 0 CA-C-O 124.325 2.012 . . . . 0.0 109.108 -157.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.2 m -73.28 156.05 38.86 Favored 'General case' 0 CA--C 1.581 2.155 0 CA-C-O 124.594 2.14 . . . . 0.0 112.987 164.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -145.79 130.13 17.69 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-O 124.165 1.936 . . . . 0.0 110.909 -168.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.477 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.426 0.4 OUTLIER -148.03 144.97 28.28 Favored 'General case' 1 N--CA 1.555 4.802 0 CA-C-O 126.556 3.074 . . . . 0.0 109.932 -170.187 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.272 10.9 ptmm? -145.27 119.87 9.77 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 126.546 3.07 . . . . 0.0 110.284 -162.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.7 t -122.15 121.12 63.17 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.429 0 C-N-CA 129.821 3.248 . . . . 0.0 113.189 -160.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -59.48 101.69 0.11 Allowed 'General case' 0 C--N 1.363 1.193 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.009 156.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.441 HG11 ' SD ' ' A' ' 80' ' ' MET 0.271 1.4 p -59.79 -36.23 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.091 0 C-N-CA 131.167 3.787 . . . . 0.0 117.518 170.461 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.341 2.4 m-20 -46.72 -47.11 20.6 Favored 'General case' 0 CA--C 1.586 2.352 1 O-C-N 115.935 -4.228 . . . . 0.0 119.28 163.61 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.37 -22.84 65.55 Favored 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 118.949 2.944 . . . . 0.0 118.949 169.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.9 mt -149.3 56.58 1.0 Allowed 'General case' 0 N--CA 1.488 1.438 0 O-C-N 118.452 -2.655 . . . . 0.0 113.268 -168.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.328 2.4 ptpt -81.05 -50.74 9.29 Favored 'General case' 0 CA--C 1.615 3.471 0 C-N-CA 127.991 2.516 . . . . 0.0 111.605 176.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.271 . . -48.83 -51.33 30.1 Favored 'General case' 0 N--CA 1.513 2.721 0 N-CA-C 118.496 2.776 . . . . 0.0 118.496 175.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.407 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 8.2 p -66.82 -43.69 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.5 0 CA-C-O 115.134 -2.365 . . . . 0.0 115.182 167.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.38 -56.48 4.19 Favored 'General case' 0 C--O 1.271 2.21 0 CA-C-N 125.441 3.746 . . . . 0.0 116.081 169.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -50.38 -57.31 8.25 Favored 'General case' 0 CA--C 1.575 1.927 0 CA-C-N 110.334 -3.121 . . . . 0.0 110.017 173.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.407 ' HG2' ' HA ' ' A' ' 71' ' ' VAL 0.387 0.1 OUTLIER -44.25 -50.13 9.0 Favored 'General case' 0 C--O 1.275 2.426 0 O-C-N 128.526 3.641 . . . . 0.0 119.178 176.521 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -67.31 -31.83 72.4 Favored 'General case' 0 N--CA 1.499 1.989 1 N-CA-C 123.502 4.63 . . . . 0.0 123.502 166.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.598 10.4 t-20 146.84 78.58 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.911 0 CA-C-O 122.935 1.35 . . . . 0.0 112.886 149.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.2 t -149.19 112.93 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.518 2.939 0 O-C-N 118.538 -2.602 . . . . 0.0 109.133 -163.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -104.04 -24.01 13.26 Favored 'General case' 0 CA--C 1.614 3.43 0 CA-C-N 110.958 -2.837 . . . . 0.0 108.968 169.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -151.89 148.35 27.68 Favored 'General case' 0 C--N 1.407 3.107 0 CA-C-N 123.525 2.875 . . . . 0.0 103.48 -154.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.693 ' SD ' ' HA ' ' A' ' 34' ' ' THR . 33.8 mmt -73.66 131.48 82.08 Favored Pre-proline 0 CA--C 1.595 2.689 0 CA-C-O 114.692 -2.575 . . . . 0.0 109.621 166.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -142.97 144.64 0.0 OUTLIER 'Cis proline' 0 C--O 1.194 -1.701 1 N-CA-C 124.986 4.956 . . . . 0.0 124.986 -18.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -122.52 129.82 52.38 Favored 'General case' 1 N--CA 1.54 4.072 1 CA-C-N 107.107 -4.588 . . . . 0.0 110.034 -136.911 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -119.71 122.38 41.32 Favored 'General case' 1 N--CA 1.567 5.418 1 N-CA-C 93.598 -6.445 . . . . 0.0 93.598 -167.911 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.54 137.21 55.95 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.955 1 CA-C-N 107.537 -4.392 . . . . 0.0 102.226 -178.544 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -126.04 101.07 6.62 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 101.976 -3.342 . . . . 0.0 101.976 -158.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.19 122.19 29.24 Favored 'General case' 0 CA--C 1.607 3.15 0 N-CA-C 100.911 -3.736 . . . . 0.0 100.911 -172.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.32 31.9 tttp -110.54 -176.21 2.92 Favored 'General case' 0 CA--C 1.623 3.753 0 CA-C-O 124.854 2.264 . . . . 0.0 105.402 178.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -64.64 58.21 0.02 OUTLIER 'General case' 0 CA--C 1.578 2.028 0 CA-C-N 110.71 -2.95 . . . . 0.0 115.501 152.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.02 38.5 0.13 Allowed Glycine 0 C--N 1.381 3.052 0 O-C-N 117.216 -3.427 . . . . 0.0 108.288 175.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.444 3.6 ttmt 48.69 -162.55 0.03 OUTLIER 'General case' 0 N--CA 1.525 3.3 1 N-CA-C 122.129 4.122 . . . . 0.0 122.129 -159.566 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.6 tp -60.25 99.08 0.07 Allowed 'General case' 0 N--CA 1.505 2.322 0 C-N-CA 131.144 3.778 . . . . 0.0 108.525 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.36 16.0 m -76.9 -50.97 19.88 Favored 'Isoleucine or valine' 1 N--CA 1.544 4.245 1 CA-C-O 109.652 -4.975 . . . . 0.0 110.807 168.586 . . . . . . . . 4 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.08 167.48 4.92 Favored 'General case' 0 CA--C 1.628 3.98 1 CA-C-N 127.982 4.901 . . . . 0.0 112.692 -175.123 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.89 151.94 36.74 Favored 'General case' 0 N--CA 1.513 2.707 1 CA-C-O 129.461 4.458 . . . . 0.0 111.431 -172.41 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.1 m -158.17 98.3 1.57 Allowed 'General case' 0 C--O 1.257 1.497 0 O-C-N 118.404 -2.685 . . . . 0.0 107.163 -175.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.73 99.86 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.628 3.966 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 163.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 164.34 99.24 0.14 Allowed Glycine 0 CA--C 1.561 2.907 0 CA-C-O 114.153 -3.582 . . . . 0.0 112.981 164.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -50.75 115.63 1.59 Allowed 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 127.895 2.478 . . . . 0.0 117.443 165.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -160.5 114.98 2.19 Favored 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 104.987 -2.227 . . . . 0.0 104.987 -171.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -48.57 -45.1 37.29 Favored 'General case' 0 C--N 1.291 -1.978 1 N-CA-C 122.104 4.113 . . . . 0.0 122.104 -174.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.338 3.1 p-10 -79.18 -49.27 12.82 Favored 'General case' 0 CA--C 1.612 3.363 0 C-N-CA 126.777 2.031 . . . . 0.0 110.414 167.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -45.95 -57.01 6.4 Favored Glycine 0 N--CA 1.508 3.456 1 N-CA-C 124.634 4.614 . . . . 0.0 124.634 175.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.256 52.7 tp -50.74 -55.85 23.74 Favored Pre-proline 0 CA--C 1.57 1.713 0 N-CA-C 119.625 3.194 . . . . 0.0 119.625 168.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.3 -28.33 52.3 Favored 'Trans proline' 0 CA--C 1.569 2.269 1 C-N-CA 125.563 4.175 . . . . 0.0 122.216 162.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 61.9 m -53.57 -57.69 9.82 Favored 'General case' 0 N--CA 1.519 3.011 0 C-N-CA 125.875 1.67 . . . . 0.0 114.717 161.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.405 54.4 tp -57.11 -46.76 82.34 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 120.922 3.675 . . . . 0.0 120.922 173.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 39.2 t -59.68 -42.64 89.2 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.484 0 N-CA-C 116.786 2.143 . . . . 0.0 116.786 163.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.87 -53.31 59.4 Favored 'General case' 0 N--CA 1.523 3.187 0 C-N-CA 128.412 2.685 . . . . 0.0 113.221 173.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -53.94 -49.61 68.31 Favored 'General case' 0 N--CA 1.482 1.137 1 N-CA-C 122.009 4.077 . . . . 0.0 122.009 164.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -55.84 -52.98 62.14 Favored 'General case' 0 C--N 1.403 2.894 0 N-CA-C 118.295 2.702 . . . . 0.0 118.295 161.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.51 2.537 0 O-C-N 126.386 2.304 . . . . 0.0 116.125 172.54 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.369 6.9 pt-20 . . . . . 0 CA--C 1.559 1.297 0 CA-C-O 124.998 2.333 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.1 170.62 19.7 Favored Glycine 0 N--CA 1.506 3.316 0 CA-C-N 113.34 -1.754 . . . . 0.0 114.205 165.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -152.43 113.14 4.14 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 103.827 -2.657 . . . . 0.0 103.827 -172.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.1 t -77.06 131.62 34.44 Favored 'Isoleucine or valine' 0 CA--C 1.627 3.904 0 C-N-CA 127.431 2.292 . . . . 0.0 105.901 166.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.363 0.3 OUTLIER -130.51 131.7 64.95 Favored 'Isoleucine or valine' 0 C--N 1.368 1.405 0 C-N-CA 128.075 2.55 . . . . 0.0 108.835 -178.167 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.58 142.51 57.46 Favored 'General case' 0 CA--C 1.574 1.903 0 CA-C-O 124.906 2.289 . . . . 0.0 115.285 163.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.433 ' SG ' HD13 ' A' ' 61' ' ' LEU . 89.3 m -148.23 134.41 19.37 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 117.792 -3.068 . . . . 0.0 111.399 -170.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . 0.391 30.9 m80 -134.11 -38.21 0.87 Allowed 'General case' 0 CA--C 1.605 3.076 0 CA-C-N 110.797 -2.91 . . . . 0.0 117.517 -155.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.7 p -144.98 -170.51 3.43 Favored 'General case' 0 C--O 1.193 -1.912 0 CA-C-O 125.741 2.686 . . . . 0.0 111.412 -158.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 p -53.95 -19.76 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.34 0 N-CA-C 119.726 3.232 . . . . 0.0 119.726 157.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.91 -43.87 63.58 Favored 'General case' 0 C--N 1.403 2.911 0 O-C-N 117.8 -3.062 . . . . 0.0 115.096 162.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.404 0.6 OUTLIER -56.96 -38.23 72.67 Favored 'General case' 0 N--CA 1.523 3.216 0 C-N-CA 125.183 1.393 . . . . 0.0 114.541 170.166 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -51.79 -46.9 64.38 Favored 'General case' 0 N--CA 1.523 3.176 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 164.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -51.71 -62.19 1.78 Allowed 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 159.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -52.79 -63.03 1.28 Allowed 'General case' 0 N--CA 1.52 3.041 0 N-CA-C 118.374 2.731 . . . . 0.0 118.374 174.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -53.41 -62.59 1.55 Allowed 'General case' 1 N--CA 1.549 4.493 0 C-N-CA 128.408 2.683 . . . . 0.0 113.444 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.6 1.1 t80 -59.05 -60.33 4.04 Favored 'General case' 0 C--N 1.287 -2.125 0 C-N-CA 128.237 2.615 . . . . 0.0 113.826 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.362 13.3 mm-40 -51.04 -59.99 3.57 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 176.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -52.76 -63.04 1.28 Allowed 'General case' 0 N--CA 1.506 2.335 0 O-C-N 118.024 -2.923 . . . . 0.0 112.479 166.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -35.8 -84.77 0.01 OUTLIER Glycine 0 CA--C 1.565 3.166 0 N-CA-C 120.14 2.816 . . . . 0.0 120.14 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -79.33 107.91 12.44 Favored 'General case' 0 CA--C 1.576 1.953 0 CA-C-O 127.084 3.326 . . . . 0.0 108.71 151.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.46 -38.78 0.36 Allowed Glycine 1 CA--C 1.618 6.521 0 CA-C-N 110.531 -3.031 . . . . 0.0 115.355 168.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.7 m -126.3 128.77 47.65 Favored 'General case' 0 C--O 1.267 1.983 0 O-C-N 127.922 2.778 . . . . 0.0 105.939 -166.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -62.77 77.51 0.02 OUTLIER 'General case' 0 CA--C 1.58 2.114 0 CA-C-O 128.081 3.801 . . . . 0.0 118.035 165.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -162.08 176.99 10.13 Favored 'General case' 0 CA--C 1.588 2.409 1 CA-C-N 108.138 -4.119 . . . . 0.0 112.081 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.9 tp -110.65 151.12 28.06 Favored 'General case' 0 C--O 1.264 1.863 0 C-N-CA 130.198 3.399 . . . . 0.0 107.234 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.299 1.7 pt -151.15 134.02 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 129.292 3.037 . . . . 0.0 107.212 -175.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.7 t -132.26 136.76 55.87 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.28 0 O-C-N 127.881 3.238 . . . . 0.0 103.488 -161.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.44 3.3 p -152.47 106.74 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 117.106 -3.496 . . . . 0.0 112.38 -161.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -65.14 126.78 29.18 Favored 'General case' 0 N--CA 1.406 -2.667 0 CA-C-O 125.205 2.431 . . . . 0.0 113.304 161.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -110.99 111.43 22.54 Favored 'General case' 0 CA--C 1.577 2.009 0 N-CA-C 100.831 -3.766 . . . . 0.0 100.831 169.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.8 t -157.84 145.19 18.3 Favored 'General case' 0 CA--C 1.608 3.181 0 CA-C-O 125.019 2.343 . . . . 0.0 107.334 -172.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.35 130.4 35.15 Favored 'General case' 0 C--N 1.262 -3.236 0 CA-C-N 108.885 -3.78 . . . . 0.0 106.28 174.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.6 t -46.93 -42.24 17.37 Favored 'General case' 0 CA--C 1.587 2.381 0 C-N-CA 125.64 1.576 . . . . 0.0 114.584 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -70.96 88.73 0.76 Allowed 'General case' 0 C--O 1.276 2.464 0 C-N-CA 128.68 2.792 . . . . 0.0 109.173 160.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.8 t -171.44 91.89 0.44 Allowed Pre-proline 0 CA--C 1.595 2.684 0 CA-C-N 110.121 -3.218 . . . . 0.0 109.464 174.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -52.54 -40.24 72.85 Favored 'Trans proline' 1 CA--C 1.604 4.012 0 N-CA-C 118.761 2.562 . . . . 0.0 118.761 158.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.308 34.4 Cg_exo -42.38 -61.45 0.53 Allowed 'Trans proline' 0 C--N 1.399 3.23 0 C-N-CA 124.833 3.689 . . . . 0.0 120.349 160.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.506 ' HA ' HG22 ' A' ' 44' ' ' ILE 0.415 76.3 m -58.66 -38.83 78.99 Favored 'General case' 0 C--N 1.362 1.143 1 N-CA-C 122.253 4.168 . . . . 0.0 122.253 161.611 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -43.78 -43.16 5.97 Favored 'General case' 0 CA--C 1.604 3.032 0 N-CA-C 118.675 2.843 . . . . 0.0 118.675 166.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.331 21.5 ptt? -70.15 -41.55 73.7 Favored 'General case' 0 CA--C 1.578 2.027 0 C-N-CA 125.248 1.419 . . . . 0.0 113.435 166.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.506 HG22 ' HA ' ' A' ' 41' ' ' CYS 0.397 1.1 tp -52.97 -39.9 34.46 Favored 'Isoleucine or valine' 0 C--O 1.266 1.972 0 O-C-N 117.947 -2.97 . . . . 0.0 117.165 168.242 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.473 . . -44.53 -59.1 4.29 Favored Pre-proline 1 CA--C 1.649 4.757 0 O-C-N 118.367 -2.708 . . . . 0.0 113.109 166.043 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -54.15 -38.52 87.73 Favored 'Trans proline' 0 CA--C 1.576 2.59 0 N-CA-C 120.536 3.245 . . . . 0.0 120.536 159.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.548 HG21 ' HA ' ' A' ' 100' ' ' LYS 0.622 29.8 mm -55.55 -53.72 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 118.532 -2.605 . . . . 0.0 116.945 165.362 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.291 8.3 t80 -54.01 -51.03 65.25 Favored 'General case' 0 N--CA 1.51 2.53 0 C-N-CA 126.848 2.059 . . . . 0.0 112.369 171.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.267 . . -51.09 -52.32 44.74 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 121.249 3.796 . . . . 0.0 121.249 168.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -52.93 -54.67 31.47 Favored 'General case' 0 CA--C 1.591 2.533 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 169.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.493 HD11 HG21 ' A' ' 107' ' ' VAL . 0.5 OUTLIER -53.4 -44.99 69.14 Favored 'General case' 0 CA--C 1.597 2.785 0 C-N-CA 126.506 1.922 . . . . 0.0 115.999 170.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.52 -37.41 49.14 Favored 'General case' 0 CA--C 1.562 1.43 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 165.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . 0.277 94.0 mttt -61.57 -46.91 87.88 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 117.597 2.443 . . . . 0.0 117.597 164.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -53.53 -37.28 62.67 Favored 'General case' 0 CA--C 1.599 2.851 0 N-CA-C 119.656 3.206 . . . . 0.0 119.656 171.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -129.89 104.17 17.08 Favored Pre-proline 0 CA--C 1.577 1.992 0 C-N-CA 129.252 3.021 . . . . 0.0 108.533 -153.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.453 12.3 Cg_endo -71.51 -39.84 3.38 Favored 'Trans proline' 0 CA--C 1.581 2.845 2 C-N-CA 130.646 7.564 . . . . 0.0 126.587 171.792 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.282 10.3 p30 -63.89 10.5 0.05 Allowed 'General case' 0 N--CA 1.527 3.406 0 N-CA-C 118.61 2.818 . . . . 0.0 118.61 174.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.354 4.3 p -148.27 113.06 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.589 2.447 0 C-N-CA 123.564 0.746 . . . . 0.0 110.19 -158.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.1 m -73.63 153.6 40.09 Favored 'General case' 0 C--N 1.379 1.884 0 CA-C-O 128.474 3.988 . . . . 0.0 106.879 161.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -139.84 136.55 34.12 Favored 'General case' 0 N--CA 1.515 2.818 1 CA-C-O 129.164 4.316 . . . . 0.0 104.731 -175.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.433 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.395 0.5 OUTLIER -152.5 157.64 41.42 Favored 'General case' 0 CA--C 1.598 2.805 0 CA-C-N 110.52 -3.036 . . . . 0.0 108.153 -172.369 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -156.48 112.76 3.04 Favored 'General case' 0 N--CA 1.502 2.156 0 CA-C-O 124.363 2.03 . . . . 0.0 105.945 -166.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.8 t -88.07 119.59 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 C-N-CA 130.11 3.364 . . . . 0.0 110.704 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -65.14 107.47 1.56 Allowed 'General case' 0 C--O 1.299 3.668 0 O-C-N 125.513 1.758 . . . . 0.0 113.509 156.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.281 0.4 OUTLIER -56.69 -37.88 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 119.185 3.032 . . . . 0.0 119.185 178.69 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.81 -40.56 55.85 Favored 'General case' 0 N--CA 1.529 3.507 0 N-CA-C 119.588 3.181 . . . . 0.0 119.588 168.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.3 24.9 mt-10 -67.15 -32.91 74.35 Favored 'General case' 0 CA--C 1.598 2.816 1 N-CA-C 121.87 4.026 . . . . 0.0 121.87 162.26 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.9 mt -152.28 66.33 0.83 Allowed 'General case' 0 C--N 1.387 2.201 0 CA-C-O 125.339 2.495 . . . . 0.0 109.19 -164.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -93.47 -37.64 11.84 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 110.77 -2.923 . . . . 0.0 108.75 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.55 -68.1 0.23 Allowed 'General case' 0 C--O 1.274 2.375 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 170.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.305 4.2 p -46.3 -58.9 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.603 2.993 0 N-CA-C 120.994 3.702 . . . . 0.0 120.994 160.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.24 -51.76 2.69 Favored 'General case' 0 C--N 1.388 2.268 0 N-CA-C 118.531 2.789 . . . . 0.0 118.531 174.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.67 -50.31 68.54 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 113.818 -2.991 . . . . 0.0 114.927 168.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.513 1.1 pt-20 -44.2 -52.14 7.63 Favored 'General case' 0 C--N 1.41 3.224 0 N-CA-C 118.966 2.95 . . . . 0.0 118.966 172.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.401 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 27.1 m95 -59.3 -53.79 54.21 Favored 'General case' 0 CA--C 1.613 3.38 0 O-C-N 125.302 1.626 . . . . 0.0 113.541 174.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 75' ' ' TRP . 12.0 t-20 155.87 88.53 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 127.133 2.771 . . . . 0.0 107.565 158.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.7 t -151.98 74.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.372 1.563 0 CA-C-O 128.271 3.891 . . . . 0.0 101.062 -174.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -68.6 -6.21 24.37 Favored 'General case' 0 C--N 1.404 2.94 2 N-CA-C 125.311 5.3 . . . . 0.0 125.311 140.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.92 141.65 27.98 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-O 125.015 2.34 . . . . 0.0 107.495 -158.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.46 ' HA ' ' CE ' ' A' ' 80' ' ' MET . 28.6 mmt -96.27 112.71 60.65 Favored Pre-proline 1 CA--C 1.636 4.286 0 C-N-CA 131.423 3.889 . . . . 0.0 104.485 175.075 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.328 62.5 Cg_endo -153.7 149.12 0.0 OUTLIER 'Cis proline' 0 C--O 1.274 2.277 0 N-CA-C 121.411 3.581 . . . . 0.0 121.411 3.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.8 m -123.09 138.66 54.61 Favored 'General case' 0 C--O 1.183 -2.432 0 C-N-CA 130.809 3.644 . . . . 0.0 114.249 -142.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -127.53 121.42 30.62 Favored 'General case' 0 CA--C 1.623 3.787 1 N-CA-C 100.02 -4.067 . . . . 0.0 100.02 -163.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.449 2.2 mt -128.35 135.74 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.85 3 O-C-N 129.584 4.303 . . . . 0.0 108.989 -166.116 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -135.89 107.54 6.99 Favored 'General case' 0 CA--C 1.623 3.753 1 N-CA-C 100.019 -4.067 . . . . 0.0 100.019 -153.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.58 127.16 30.71 Favored 'General case' 0 N--CA 1.499 1.983 1 N-CA-C 98.577 -4.601 . . . . 0.0 98.577 -170.608 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -130.37 -175.43 3.64 Favored 'General case' 0 CA--C 1.589 2.455 0 CA-C-N 109.576 -3.465 . . . . 0.0 104.677 -169.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -65.78 46.96 0.03 OUTLIER 'General case' 1 CA--C 1.675 5.751 0 N-CA-C 116.531 2.049 . . . . 0.0 116.531 163.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 176.89 51.4 0.06 OUTLIER Glycine 0 C--N 1.293 -1.825 0 CA-C-N 112.942 -1.936 . . . . 0.0 113.179 172.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.452 7.0 ttmt 55.25 -162.09 0.15 Allowed 'General case' 0 N--CA 1.526 3.362 0 N-CA-C 117.923 2.564 . . . . 0.0 117.923 -173.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.3 tp -56.1 97.94 0.02 OUTLIER 'General case' 0 C--N 1.273 -2.733 0 CA-C-O 124.705 2.193 . . . . 0.0 109.954 175.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.422 4.6 m -69.27 -43.37 81.33 Favored 'Isoleucine or valine' 0 C--O 1.254 1.32 1 N-CA-C 123.219 4.525 . . . . 0.0 123.219 163.046 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.55 161.77 29.98 Favored 'General case' 1 N--CA 1.572 5.635 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 -172.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.33 139.21 11.77 Favored 'General case' 0 C--N 1.384 2.101 0 CA-C-O 123.217 1.484 . . . . 0.0 107.62 -171.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.2 m -154.9 157.26 37.52 Favored 'General case' 0 N--CA 1.502 2.159 0 N-CA-C 102.205 -3.257 . . . . 0.0 102.205 -172.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.9 p -151.69 102.26 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.611 3.308 0 N-CA-C 102.389 -3.189 . . . . 0.0 102.389 -169.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 160.79 112.88 0.3 Allowed Glycine 0 N--CA 1.508 3.439 0 CA-C-O 114.694 -3.281 . . . . 0.0 107.681 162.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.94 124.78 15.09 Favored 'General case' 0 C--N 1.382 2.019 0 O-C-N 126.844 2.144 . . . . 0.0 115.897 166.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -160.75 125.52 3.68 Favored 'General case' 0 C--N 1.376 1.731 0 C-N-CA 125.975 1.71 . . . . 0.0 111.349 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.548 ' HA ' HG21 ' A' ' 47' ' ' ILE 0.416 19.9 pttt -39.68 -66.1 0.33 Allowed 'General case' 0 N--CA 1.531 3.608 1 N-CA-C 122.23 4.159 . . . . 0.0 122.23 165.225 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.4 -47.83 84.39 Favored 'General case' 0 C--N 1.376 1.754 0 C-N-CA 125.697 1.599 . . . . 0.0 114.365 171.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -39.35 -76.55 0.08 OUTLIER Glycine 0 CA--C 1.576 3.85 0 C-N-CA 129.037 3.208 . . . . 0.0 117.914 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.253 28.4 tp -52.01 -50.65 77.28 Favored Pre-proline 0 N--CA 1.508 2.471 1 N-CA-C 123.319 4.563 . . . . 0.0 123.319 174.031 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -45.27 -40.74 16.93 Favored 'Trans proline' 0 N--CA 1.528 3.535 0 N-CA-C 118.06 2.292 . . . . 0.0 118.06 157.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.0 m -67.03 -54.27 23.27 Favored 'General case' 1 N--CA 1.551 4.624 0 C-N-CA 127.079 2.152 . . . . 0.0 113.815 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.268 55.5 tp -53.74 -51.36 63.59 Favored 'General case' 0 C--O 1.196 -1.759 0 C-N-CA 127.697 2.399 . . . . 0.0 116.387 171.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.493 HG21 HD11 ' A' ' 51' ' ' LEU . 79.6 t -58.84 -51.73 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.532 3.669 0 C-N-CA 125.532 1.533 . . . . 0.0 110.699 168.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.3 -48.97 6.87 Favored 'General case' 0 C--O 1.264 1.828 0 CA-C-N 122.314 2.325 . . . . 0.0 117.224 170.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -59.13 -42.58 90.94 Favored 'General case' 0 C--O 1.196 -1.744 1 N-CA-C 122.721 4.341 . . . . 0.0 122.721 165.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.328 4.7 m-70 -63.01 -61.35 2.45 Favored 'General case' 0 N--CA 1.532 3.626 0 N-CA-C 119.266 3.061 . . . . 0.0 119.266 172.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.525 3.296 1 N-CA-C 124.011 4.819 . . . . 0.0 124.011 171.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 CA--C 1.573 1.842 0 CA-C-O 124.903 2.287 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.94 177.54 52.06 Favored Glycine 0 C--N 1.368 2.354 0 CA-C-N 110.468 -3.06 . . . . 0.0 114.478 165.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -152.22 117.6 5.29 Favored 'General case' 0 N--CA 1.521 3.109 0 N-CA-C 102.504 -3.147 . . . . 0.0 102.504 -160.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.6 t -98.55 119.33 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 CA-C-N 111.275 -2.693 . . . . 0.0 110.151 174.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.259 0.3 OUTLIER -130.79 129.66 63.99 Favored 'Isoleucine or valine' 0 CA--C 1.628 3.959 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 -171.377 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.23 138.39 57.64 Favored 'General case' 0 CA--C 1.553 1.074 0 O-C-N 127.766 3.166 . . . . 0.0 114.285 164.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 68.4 m -138.7 143.5 39.16 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 111.459 -2.609 . . . . 0.0 107.617 -172.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -134.61 -38.01 0.83 Allowed 'General case' 0 CA--C 1.586 2.356 0 CA-C-N 109.242 -3.617 . . . . 0.0 113.878 -156.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.415 ' O ' HG22 ' A' ' 14' ' ' THR . 44.7 p -152.32 -166.73 2.56 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 117.86 -3.025 . . . . 0.0 108.815 -162.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.6 p -51.68 -16.66 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.528 3.473 0 N-CA-C 117.49 2.404 . . . . 0.0 117.49 160.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.37 -47.1 37.58 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 118.472 2.768 . . . . 0.0 118.472 156.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 11' ' ' THR 0.385 0.9 OUTLIER -56.21 -42.93 78.01 Favored 'General case' 1 N--CA 1.54 4.049 0 N-CA-C 117.804 2.52 . . . . 0.0 117.804 166.596 . . . . . . . . 5 4 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -53.73 -38.98 64.9 Favored 'General case' 0 CA--C 1.626 3.903 0 O-C-N 125.31 1.632 . . . . 0.0 113.531 171.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -66.2 -51.86 53.62 Favored 'General case' 0 CA--C 1.608 3.207 0 CA-C-N 121.155 1.798 . . . . 0.0 112.618 161.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.65 -64.23 0.88 Allowed 'General case' 0 CA--C 1.58 2.098 0 N-CA-C 119.57 3.174 . . . . 0.0 119.57 173.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -53.06 -57.41 10.48 Favored 'General case' 0 C--O 1.263 1.797 0 C-N-CA 126.259 1.824 . . . . 0.0 115.529 177.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -58.77 -54.09 51.05 Favored 'General case' 0 N--CA 1.539 3.995 0 CA-C-O 116.602 -1.666 . . . . 0.0 114.124 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -55.91 -49.49 73.31 Favored 'General case' 0 N--CA 1.534 3.758 0 C-N-CA 127.916 2.486 . . . . 0.0 112.799 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -56.77 -61.82 2.17 Favored 'General case' 0 N--CA 1.525 3.279 0 C-N-CA 125.349 1.46 . . . . 0.0 113.318 167.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.37 -89.3 0.01 OUTLIER Glycine 0 N--CA 1.492 2.398 0 CA-C-O 127.037 3.576 . . . . 0.0 118.249 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -73.36 98.04 2.63 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 125.813 2.721 . . . . 0.0 107.011 156.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.52 -48.4 0.38 Allowed Glycine 0 CA--C 1.572 3.624 0 CA-C-N 110.245 -3.161 . . . . 0.0 113.379 162.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.6 m -103.75 122.4 44.99 Favored 'General case' 0 C--N 1.392 2.415 0 CA-C-N 109.717 -3.242 . . . . 0.0 109.831 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -69.24 71.58 0.27 Allowed 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 128.736 2.814 . . . . 0.0 112.495 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -158.75 175.93 12.99 Favored 'General case' 0 CA--C 1.575 1.926 0 O-C-N 126.904 2.627 . . . . 0.0 108.525 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.2 tp -92.85 151.9 19.72 Favored 'General case' 0 CA--C 1.562 1.422 0 CA-C-N 111.531 -2.577 . . . . 0.0 109.072 169.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.554 HG22 ' HB ' ' A' ' 59' ' ' THR 0.267 4.1 pt -146.8 136.6 17.05 Favored 'Isoleucine or valine' 0 CA--C 1.627 3.915 3 CA-C-O 130.384 4.897 . . . . 0.0 99.877 -176.055 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.395 4.5 t -145.46 121.71 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.78 1 O-C-N 116.002 -4.186 . . . . 0.0 110.512 -168.393 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 p -139.53 107.83 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.463 0 CA-C-O 125.002 2.334 . . . . 0.0 110.395 -153.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -64.81 149.32 49.6 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-O 126.633 3.111 . . . . 0.0 118.325 161.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -138.44 108.15 6.26 Favored 'General case' 0 CA--C 1.601 2.939 1 N-CA-C 93.316 -6.55 . . . . 0.0 93.316 -174.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.9 t -154.47 145.15 22.38 Favored 'General case' 0 CA--C 1.603 2.992 0 O-C-N 127.076 2.735 . . . . 0.0 105.91 -171.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.27 . . -77.59 147.2 35.77 Favored 'General case' 2 C--N 1.237 -4.293 0 CA-C-N 112.691 -2.05 . . . . 0.0 113.959 161.058 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.7 t -53.56 -47.48 70.0 Favored 'General case' 0 N--CA 1.533 3.692 0 O-C-N 118.789 -2.444 . . . . 0.0 115.45 164.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -65.05 74.23 0.04 OUTLIER 'General case' 0 CA--C 1.606 3.102 0 CA-C-O 124.839 2.257 . . . . 0.0 114.229 166.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.6 t -164.34 83.37 1.26 Allowed Pre-proline 0 N--CA 1.524 3.26 0 CA-C-N 112.949 -1.932 . . . . 0.0 108.022 -176.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.407 44.5 Cg_exo -46.82 -42.05 24.84 Favored 'Trans proline' 1 CA--C 1.621 4.871 1 C-N-CA 127.795 5.663 . . . . 0.0 118.689 167.193 . . . . . . . . 4 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -56.03 -45.34 39.15 Favored 'Trans proline' 0 CA--C 1.604 3.977 0 C-N-CA 124.758 3.639 . . . . 0.0 119.332 164.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.559 7.9 m -67.41 -25.99 66.21 Favored 'General case' 0 N--CA 1.536 3.83 0 N-CA-C 121.329 3.826 . . . . 0.0 121.329 156.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.542 15.3 tttp -48.84 -58.55 4.65 Favored 'General case' 0 C--N 1.393 2.46 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 158.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.416 14.3 ptt? -59.59 -38.74 82.03 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 119.377 3.102 . . . . 0.0 119.377 164.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.432 1.0 OUTLIER -60.02 -21.75 22.72 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.142 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 170.219 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.402 . . -62.13 -59.62 12.54 Favored Pre-proline 0 C--N 1.396 2.61 0 CA-C-N 123.187 2.721 . . . . 0.0 112.355 170.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -52.66 -41.28 70.03 Favored 'Trans proline' 1 CA--C 1.613 4.442 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 162.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.251 29.0 mm -52.34 -57.58 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 CA-C-N 122.734 2.515 . . . . 0.0 116.324 167.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -54.64 -42.76 71.66 Favored 'General case' 0 CA--C 1.574 1.897 0 O-C-N 126.995 2.685 . . . . 0.0 115.816 173.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.97 95.41 Favored 'General case' 0 CA--C 1.593 2.606 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 162.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -49.88 -58.22 5.84 Favored 'General case' 0 CA--C 1.581 2.159 0 N-CA-C 116.974 2.213 . . . . 0.0 116.974 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.666 HD11 HG11 ' A' ' 107' ' ' VAL . 1.9 tm? -56.33 -38.62 71.59 Favored 'General case' 0 CA--C 1.579 2.064 1 CA-C-O 109.553 -5.022 . . . . 0.0 115.427 170.432 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.16 -43.69 61.31 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 119.725 3.232 . . . . 0.0 119.725 162.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -60.89 -44.54 96.96 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 113.039 -1.891 . . . . 0.0 114.084 169.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -54.54 -38.51 66.67 Favored 'General case' 0 CA--C 1.603 2.984 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 169.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -137.13 91.67 14.55 Favored Pre-proline 0 CA--C 1.61 3.267 0 C-N-CA 125.705 1.602 . . . . 0.0 108.32 -151.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -61.04 -29.6 88.01 Favored 'Trans proline' 1 CA--C 1.611 4.326 2 C-N-CA 128.095 5.864 . . . . 0.0 122.772 170.772 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -62.18 3.95 0.15 Allowed 'General case' 0 C--O 1.27 2.16 0 C-N-CA 129.316 3.046 . . . . 0.0 116.888 -177.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.263 3.4 p -147.53 107.53 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.873 0 CA-C-O 123.394 1.568 . . . . 0.0 113.313 -150.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.554 ' HB ' HG22 ' A' ' 29' ' ' ILE 0.303 57.1 m -66.6 156.14 35.9 Favored 'General case' 0 CA--C 1.596 2.716 0 CA-C-O 128.176 3.846 . . . . 0.0 113.216 160.856 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -148.41 136.42 20.98 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 125.588 2.613 . . . . 0.0 110.546 -171.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 pp -154.06 159.03 41.37 Favored 'General case' 0 N--CA 1.501 2.091 0 CA-C-O 126.751 3.167 . . . . 0.0 107.28 -174.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -148.69 110.2 4.45 Favored 'General case' 0 C--O 1.272 2.262 0 CA-C-O 128.177 3.846 . . . . 0.0 111.236 -166.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.464 HG13 HD12 ' A' ' 68' ' ' LEU . 94.6 t -91.46 119.37 38.61 Favored 'Isoleucine or valine' 0 C--O 1.275 2.397 0 O-C-N 116.746 -3.722 . . . . 0.0 112.064 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . 0.264 30.6 t70 -67.33 102.39 1.08 Allowed 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 126.281 1.832 . . . . 0.0 108.112 166.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.391 0.3 OUTLIER -51.94 -40.95 29.83 Favored 'Isoleucine or valine' 0 C--O 1.272 2.257 0 C-N-CA 130.958 3.703 . . . . 0.0 115.609 177.264 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -50.39 -58.06 6.55 Favored 'General case' 0 N--CA 1.507 2.419 0 C-N-CA 127.169 2.187 . . . . 0.0 112.885 174.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -55.19 -31.75 61.65 Favored 'General case' 0 N--CA 1.518 2.953 1 N-CA-C 124.563 5.023 . . . . 0.0 124.563 158.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.464 HD12 HG13 ' A' ' 63' ' ' VAL . 69.2 mt -145.45 48.0 1.27 Allowed 'General case' 0 CA--C 1.575 1.916 0 CA-C-O 125.696 2.665 . . . . 0.0 114.947 -161.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.335 16.9 ptpt -73.61 -51.63 16.18 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 118.382 2.734 . . . . 0.0 118.382 171.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.46 -53.22 24.15 Favored 'General case' 0 CA--C 1.581 2.143 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 175.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 p -62.3 -46.22 96.94 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.232 1 CA-C-O 110.763 -4.446 . . . . 0.0 121.303 166.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.18 -52.48 4.36 Favored 'General case' 0 N--CA 1.488 1.466 1 O-C-N 129.696 4.372 . . . . 0.0 113.819 164.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . 0.317 8.4 mt-10 -53.28 -53.41 51.28 Favored 'General case' 0 N--CA 1.518 2.964 0 O-C-N 125.658 1.849 . . . . 0.0 111.946 174.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.471 0.0 OUTLIER -45.36 -49.01 13.33 Favored 'General case' 0 C--N 1.399 2.719 1 N-CA-C 123.781 4.734 . . . . 0.0 123.781 164.961 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -56.03 -52.79 62.98 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 117.775 -3.078 . . . . 0.0 112.726 169.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.281 25.3 t-20 154.22 81.81 0.0 OUTLIER 'General case' 1 N--CA 1.545 4.296 0 C-N-CA 129.662 3.185 . . . . 0.0 105.209 154.351 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.646 HG22 HG21 ' A' ' 82' ' ' THR . 61.5 t -144.45 101.86 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.46 -2.519 0 CA-C-O 127.895 3.712 . . . . 0.0 106.284 -170.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -88.22 -15.34 36.18 Favored 'General case' 1 CA--C 1.652 4.882 0 O-C-N 117.078 -3.513 . . . . 0.0 117.637 161.915 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -156.77 157.42 35.0 Favored 'General case' 2 C--N 1.437 4.386 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 -165.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.6 mmt -75.58 128.16 84.49 Favored Pre-proline 0 CA--C 1.598 2.813 2 CA-C-O 109.527 -5.035 . . . . 0.0 108.11 169.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.35 88.4 Cg_endo -141.3 148.09 0.0 OUTLIER 'Cis proline' 0 CA--C 1.602 3.882 0 C-N-CA 120.275 -2.802 . . . . 0.0 111.423 -21.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.646 HG21 HG22 ' A' ' 77' ' ' VAL . 15.8 m -127.04 142.11 51.62 Favored 'General case' 0 N--CA 1.387 -3.608 1 N-CA-C 100.077 -4.046 . . . . 0.0 100.077 -130.152 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -134.34 116.79 15.64 Favored 'General case' 1 N--CA 1.566 5.334 0 N-CA-C 100.848 -3.76 . . . . 0.0 100.848 -163.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.27 54.0 mt -116.31 136.24 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.197 1 C-N-CA 133.707 4.803 . . . . 0.0 106.986 -179.033 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -120.9 109.46 15.14 Favored 'General case' 0 C--N 1.301 -1.52 3 N-CA-C 97.081 -5.155 . . . . 0.0 97.081 -168.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.5 136.64 48.07 Favored 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 129.13 2.972 . . . . 0.0 105.459 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.365 53.8 tttt -142.02 176.71 8.74 Favored 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 126.087 1.755 . . . . 0.0 109.365 -170.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -61.42 56.65 0.01 OUTLIER 'General case' 0 CA--C 1.615 3.468 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 154.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.4 40.66 0.08 OUTLIER Glycine 0 N--CA 1.495 2.625 0 C-N-CA 129.177 3.275 . . . . 0.0 117.218 173.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt 60.68 -170.34 0.15 Allowed 'General case' 0 CA--C 1.611 3.296 0 O-C-N 118.507 -2.761 . . . . 0.0 107.368 -177.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.49 94.2 0.06 Allowed 'General case' 0 CA--C 1.58 2.121 0 CA-C-O 123.975 1.845 . . . . 0.0 111.552 174.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.361 18.3 m -61.36 -58.92 5.35 Favored 'Isoleucine or valine' 0 C--N 1.378 1.815 0 CA-C-N 111.396 -2.638 . . . . 0.0 114.233 166.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -162.68 169.8 19.48 Favored 'General case' 0 C--N 1.382 2.02 0 O-C-N 116.406 -3.934 . . . . 0.0 114.359 -165.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.67 143.43 16.02 Favored 'General case' 0 CA--C 1.575 1.911 0 O-C-N 118.781 -2.45 . . . . 0.0 113.813 -172.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 80.9 m -158.67 157.78 32.49 Favored 'General case' 0 CA--C 1.615 3.476 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.288 1.2 p -140.65 93.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 C-N-CA 127.1 2.16 . . . . 0.0 107.613 -169.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 178.02 113.21 0.35 Allowed Glycine 0 CA--C 1.561 2.966 0 CA-C-O 127.448 3.804 . . . . 0.0 109.556 172.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.37 107.18 1.04 Allowed 'General case' 0 C--N 1.387 2.21 0 CA-C-O 126.161 2.886 . . . . 0.0 111.902 158.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -158.07 118.28 3.34 Favored 'General case' 0 N--CA 1.521 3.083 0 O-C-N 116.424 -3.922 . . . . 0.0 104.92 -171.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.357 0.0 OUTLIER -45.75 -56.7 4.99 Favored 'General case' 0 N--CA 1.512 2.655 0 N-CA-C 119.346 3.091 . . . . 0.0 119.346 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -79.2 -39.84 32.28 Favored 'General case' 0 N--CA 1.507 2.38 0 CA-C-O 116.414 -1.755 . . . . 0.0 113.885 167.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -43.43 -59.09 3.71 Favored Glycine 0 C--N 1.373 2.633 1 N-CA-C 125.466 4.946 . . . . 0.0 125.466 175.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.9 tp -56.57 -48.77 96.54 Favored Pre-proline 0 CA--C 1.588 2.428 0 CA-C-O 114.003 -2.903 . . . . 0.0 114.388 173.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -46.28 -55.91 3.34 Favored 'Trans proline' 0 C--N 1.402 3.389 1 C-N-CA 125.593 4.195 . . . . 0.0 117.424 159.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.29 17.6 m -51.91 -49.58 62.75 Favored 'General case' 0 N--CA 1.532 3.666 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 178.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.9 tp -62.53 -47.82 82.24 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 118.684 2.846 . . . . 0.0 118.684 169.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.666 HG11 HD11 ' A' ' 51' ' ' LEU 0.291 42.9 t -56.44 -54.97 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 CA-C-O 113.724 -3.036 . . . . 0.0 113.319 165.533 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.45 -45.14 17.97 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 118.008 2.595 . . . . 0.0 118.008 173.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -59.47 -48.95 79.68 Favored 'General case' 0 CA--C 1.619 3.612 0 O-C-N 128.143 3.402 . . . . 0.0 112.648 170.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -54.76 -55.83 25.83 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 120.946 3.684 . . . . 0.0 120.946 165.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.237 0 N-CA-C 118.686 2.847 . . . . 0.0 118.686 172.387 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 N--CA 1.52 3.047 0 CA-C-O 122.024 0.916 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.98 171.4 35.28 Favored Glycine 0 CA--C 1.569 3.438 0 C-N-CA 126.036 1.779 . . . . 0.0 114.354 161.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -157.41 136.86 12.04 Favored 'General case' 0 CA--C 1.587 2.394 0 O-C-N 118.95 -2.5 . . . . 0.0 107.11 -169.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.3 t -93.85 114.88 31.39 Favored 'Isoleucine or valine' 0 C--O 1.248 1.015 0 C-N-CA 130.143 3.377 . . . . 0.0 110.831 175.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -124.57 115.95 46.05 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.103 0 N-CA-C 101.883 -3.377 . . . . 0.0 101.883 -173.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.23 139.9 58.12 Favored 'General case' 0 CA--C 1.587 2.392 0 CA-C-O 124.051 1.882 . . . . 0.0 115.291 163.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.649 ' SG ' HD13 ' A' ' 61' ' ' LEU . 69.4 m -122.55 147.81 45.94 Favored 'General case' 0 C--N 1.282 -2.341 0 C-N-CA 129.433 3.093 . . . . 0.0 112.888 -172.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -141.24 -64.65 0.44 Allowed 'General case' 0 CA--C 1.565 1.545 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -153.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.3 p -138.35 -169.8 2.67 Favored 'General case' 0 CA--C 1.585 2.307 0 C-N-CA 128.512 2.725 . . . . 0.0 109.562 -165.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.0 p -45.07 -21.72 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.602 2.976 0 CA-C-O 128.264 3.888 . . . . 0.0 121.152 171.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.97 -41.04 95.8 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 117.618 -3.176 . . . . 0.0 112.917 172.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.276 2.1 t -50.87 -34.71 29.29 Favored 'General case' 0 CA--C 1.606 3.107 0 N-CA-C 119.44 3.126 . . . . 0.0 119.44 156.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . 0.253 37.1 m95 -55.58 -51.86 65.68 Favored 'General case' 1 N--CA 1.547 4.421 0 O-C-N 119.577 -1.952 . . . . 0.0 113.695 169.249 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -50.0 -55.58 14.1 Favored 'General case' 0 CA--C 1.604 3.027 0 N-CA-C 117.052 2.241 . . . . 0.0 117.052 161.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.406 33.5 mt-10 -53.9 -64.53 0.8 Allowed 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 121.4 3.852 . . . . 0.0 121.4 172.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -49.36 -58.78 4.48 Favored 'General case' 0 CA--C 1.593 2.615 0 O-C-N 124.618 1.198 . . . . 0.0 113.149 175.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -58.33 -59.32 5.52 Favored 'General case' 0 CA--C 1.585 2.299 0 C-N-CA 127.115 2.166 . . . . 0.0 115.556 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.408 ' O ' ' HA3' ' A' ' 24' ' ' GLY 0.368 64.7 mm-40 -51.34 -60.41 3.16 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 126.75 2.02 . . . . 0.0 115.75 177.049 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -54.46 -52.62 61.28 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 119.507 3.151 . . . . 0.0 119.507 169.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.86 -80.75 0.06 OUTLIER Glycine 0 CA--C 1.557 2.7 0 N-CA-C 120.522 2.969 . . . . 0.0 120.522 172.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -83.22 91.41 7.26 Favored 'General case' 0 CA--C 1.482 -1.662 0 O-C-N 128.474 3.102 . . . . 0.0 113.6 153.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 20' ' ' GLU . . . 171.72 -43.07 0.18 Allowed Glycine 0 CA--C 1.546 1.987 0 O-C-N 118.778 -2.451 . . . . 0.0 113.831 170.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.9 m -117.32 136.81 52.86 Favored 'General case' 0 C--O 1.266 1.953 0 C-N-CA 128.293 2.637 . . . . 0.0 104.586 -176.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.83 87.17 0.13 Allowed 'General case' 1 N--CA 1.542 4.16 0 C-N-CA 127.157 2.183 . . . . 0.0 109.186 166.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -162.13 158.18 24.34 Favored 'General case' 1 C--O 1.307 4.119 0 N-CA-C 103.406 -2.813 . . . . 0.0 103.406 176.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.2 tp -87.61 147.32 25.34 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 109.221 -3.627 . . . . 0.0 109.313 157.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.1 pt -141.64 138.49 31.99 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.088 1 C-N-CA 132.196 4.198 . . . . 0.0 106.956 -179.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.262 84.1 t -142.81 127.48 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.462 0 CA-C-N 113.31 -1.768 . . . . 0.0 109.004 -168.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.442 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 6.9 p -144.76 105.82 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.596 2.745 0 N-CA-C 118.393 2.738 . . . . 0.0 118.393 -157.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.467 ' HA ' ' O ' ' A' ' 82' ' ' THR . 11.6 t0 -68.56 125.83 27.75 Favored 'General case' 0 C--N 1.379 1.865 0 CA-C-N 110.991 -2.822 . . . . 0.0 117.55 168.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -108.31 105.29 14.92 Favored 'General case' 0 N--CA 1.51 2.53 0 CA-C-O 127.653 3.597 . . . . 0.0 102.192 171.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.9 t -151.02 135.7 17.19 Favored 'General case' 0 N--CA 1.539 3.98 0 CA-C-O 128.211 3.863 . . . . 0.0 103.713 -169.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.26 . . -79.98 149.81 30.67 Favored 'General case' 0 C--O 1.257 1.466 0 CA-C-N 110.224 -3.171 . . . . 0.0 112.154 160.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 t -58.81 -36.92 75.28 Favored 'General case' 0 CA--C 1.589 2.473 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 165.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 43.7 p-90 -58.73 61.91 0.0 OUTLIER 'General case' 1 N--CA 1.568 5.462 0 O-C-N 119.231 -2.168 . . . . 0.0 115.174 162.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.1 t -160.67 93.83 1.53 Allowed Pre-proline 0 CA--C 1.605 3.09 0 CA-C-O 115.552 -2.166 . . . . 0.0 106.923 -171.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -52.83 -34.51 65.92 Favored 'Trans proline' 2 CA--C 1.639 5.771 1 N-CA-C 124.176 4.644 . . . . 0.0 124.176 155.585 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.427 31.8 Cg_exo -51.65 -59.22 1.2 Allowed 'Trans proline' 0 N--CA 1.506 2.252 1 C-N-CA 126.753 4.968 . . . . 0.0 120.643 162.069 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.421 ' SG ' ' CG ' ' A' ' 81' ' ' PRO 0.462 28.7 m -62.52 -27.75 69.37 Favored 'General case' 0 C--N 1.385 2.151 1 N-CA-C 122.596 4.295 . . . . 0.0 122.596 157.61 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -41.69 -58.77 1.86 Allowed 'General case' 0 N--CA 1.513 2.69 0 O-C-N 118.175 -2.828 . . . . 0.0 117.119 152.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.255 12.4 ptm -68.43 -39.83 81.42 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 119.178 -2.201 . . . . 0.0 115.725 167.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.35 1.1 tp -53.15 -36.45 25.21 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.693 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 171.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.96 -60.64 4.34 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 117.037 -3.54 . . . . 0.0 112.877 165.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -45.8 -49.66 10.64 Favored 'Trans proline' 0 C--N 1.38 2.226 1 C-N-CA 125.814 4.342 . . . . 0.0 119.844 164.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.297 46.2 mm -53.64 -55.81 11.68 Favored 'Isoleucine or valine' 0 CA--C 1.623 3.776 0 CA-C-O 123.893 1.806 . . . . 0.0 113.206 168.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -45.96 -39.72 9.3 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 118.218 -2.801 . . . . 0.0 116.331 173.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.34 -53.57 16.14 Favored 'General case' 0 CA--C 1.549 0.905 1 O-C-N 129.554 4.284 . . . . 0.0 117.532 172.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -54.81 -50.0 69.62 Favored 'General case' 1 CA--C 1.645 4.609 0 O-C-N 118.301 -2.749 . . . . 0.0 113.575 167.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.332 2.0 tm? -46.43 -50.73 16.36 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 162.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.21 -37.72 55.84 Favored 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 118.841 2.904 . . . . 0.0 118.841 169.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -69.01 -39.19 79.43 Favored 'General case' 0 C--O 1.258 1.522 0 C-N-CA 129.021 2.928 . . . . 0.0 114.278 169.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -59.52 -33.81 71.84 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 117.997 2.591 . . . . 0.0 117.997 173.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 3.0 m-85 -134.89 96.08 14.91 Favored Pre-proline 0 C--O 1.263 1.772 0 C-N-CA 128.1 2.56 . . . . 0.0 110.392 -155.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 55' ' ' PHE 0.267 4.4 Cg_endo -68.89 -35.63 15.04 Favored 'Trans proline' 0 N--CA 1.527 3.486 2 C-N-CA 133.039 9.159 . . . . 0.0 126.679 179.958 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -71.42 4.22 3.15 Favored 'General case' 0 CA--C 1.588 2.431 0 N-CA-C 118.394 2.738 . . . . 0.0 118.394 176.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.299 2.5 p -144.99 108.03 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.502 0 C-N-CA 122.883 0.473 . . . . 0.0 110.211 -154.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.3 m -69.53 157.52 37.01 Favored 'General case' 0 CA--C 1.589 2.464 0 CA-C-N 112.467 -2.151 . . . . 0.0 110.176 169.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -149.44 122.66 8.94 Favored 'General case' 0 C--O 1.184 -2.359 0 CA-C-N 111.823 -2.444 . . . . 0.0 108.444 -168.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.649 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.274 0.3 OUTLIER -148.23 146.65 28.75 Favored 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 127.148 2.179 . . . . 0.0 108.674 -168.439 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -147.75 101.4 3.32 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 126.65 3.119 . . . . 0.0 109.378 -161.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.3 t -77.15 124.03 34.8 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.149 0 CA-C-N 110.154 -3.203 . . . . 0.0 111.521 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -67.31 90.64 0.23 Allowed 'General case' 0 N--CA 1.537 3.909 0 CA-C-N 112.28 -2.236 . . . . 0.0 110.981 155.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.349 1.0 OUTLIER -46.78 -33.27 2.05 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 N-CA-C 119.721 3.23 . . . . 0.0 119.721 172.559 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.434 30.5 m-20 -57.43 -47.47 81.68 Favored 'General case' 0 N--CA 1.532 3.649 0 CA-C-O 116.019 -1.944 . . . . 0.0 116.225 168.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -57.86 -25.33 60.59 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 120.04 3.348 . . . . 0.0 120.04 165.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.0 mt -152.82 45.04 0.68 Allowed 'General case' 0 C--N 1.413 3.352 0 CA-C-O 127.863 3.697 . . . . 0.0 117.279 -164.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.265 14.4 ptpt -62.93 -42.49 99.82 Favored 'General case' 1 N--CA 1.559 4.982 0 O-C-N 119.353 -2.092 . . . . 0.0 116.446 177.106 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.73 -66.54 0.37 Allowed 'General case' 1 N--CA 1.56 5.064 0 C-N-CA 125.696 1.598 . . . . 0.0 113.821 175.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.5 p -60.89 -44.7 98.37 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.687 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 169.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.99 -47.39 5.74 Favored 'General case' 0 C--O 1.172 -3.02 0 O-C-N 116.411 -3.931 . . . . 0.0 116.377 167.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . 0.317 48.8 tt0 -54.33 -58.9 5.65 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 113.062 -1.881 . . . . 0.0 113.042 167.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.253 0.0 OUTLIER -43.21 -55.93 3.71 Favored 'General case' 1 N--CA 1.552 4.637 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 170.781 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.408 16.3 m95 -51.1 -42.33 60.58 Favored 'General case' 0 C--N 1.375 1.68 0 N-CA-C 118.661 2.837 . . . . 0.0 118.661 171.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.285 9.0 t-20 145.77 86.09 0.0 OUTLIER 'General case' 0 C--O 1.258 1.542 0 N-CA-C 102.213 -3.254 . . . . 0.0 102.213 155.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.458 HG22 HG21 ' A' ' 82' ' ' THR . 11.4 t -168.21 98.52 0.01 OUTLIER 'Isoleucine or valine' 1 CA--C 1.636 4.269 0 CA-C-N 120.92 1.691 . . . . 0.0 110.911 -174.379 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.293 19.4 pt-20 -114.34 43.97 1.79 Allowed 'General case' 1 CA--C 1.656 5.053 2 CA-C-N 100.02 -7.809 . . . . 0.0 113.008 143.936 . . . . . . . . 4 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.75 114.37 4.29 Favored 'General case' 0 CA--C 1.615 3.465 0 CA-C-O 126.771 3.177 . . . . 0.0 111.33 -169.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . 0.398 33.2 mmt -82.7 106.17 6.31 Favored Pre-proline 0 N--CA 1.518 2.952 0 CA-C-O 113.388 -3.196 . . . . 0.0 109.217 175.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.421 ' CG ' ' SG ' ' A' ' 41' ' ' CYS . 31.2 Cg_endo -151.94 152.15 0.0 OUTLIER 'Cis proline' 0 CA--C 1.591 3.358 3 CA-C-N 130.816 4.899 . . . . 0.0 116.563 -1.015 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 32' ' ' ASP . 4.7 m -107.48 135.41 49.01 Favored 'General case' 0 CA--C 1.586 2.331 1 CA-C-N 105.753 -5.203 . . . . 0.0 105.777 -147.065 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -126.74 134.4 50.64 Favored 'General case' 0 C--O 1.205 -1.241 0 C-N-CA 130.297 3.439 . . . . 0.0 102.473 175.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.506 HG23 HD13 ' A' ' 91' ' ' LEU 0.305 11.9 mt -136.42 124.77 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.35 0 CA-C-O 127.286 3.422 . . . . 0.0 107.368 -174.008 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -104.65 107.1 17.87 Favored 'General case' 0 CA--C 1.625 3.863 1 CA-C-N 108.324 -4.035 . . . . 0.0 104.442 -175.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.329 0.1 OUTLIER -130.82 132.05 45.0 Favored 'General case' 0 CA--C 1.582 2.205 0 N-CA-C 101.415 -3.55 . . . . 0.0 101.415 -178.56 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -137.18 -179.48 5.74 Favored 'General case' 0 CA--C 1.604 3.044 0 CA-C-N 108.734 -3.848 . . . . 0.0 106.744 -171.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -57.59 52.29 0.0 OUTLIER 'General case' 0 CA--C 1.589 2.475 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 157.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -178.03 44.92 0.09 OUTLIER Glycine 0 C--O 1.269 2.304 1 C-N-CA 131.659 4.457 . . . . 0.0 111.169 169.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.327 48.3 mtmt 62.03 -162.61 0.28 Allowed 'General case' 0 C--N 1.359 1.019 0 O-C-N 118.135 -2.979 . . . . 0.0 114.364 -172.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.506 HD13 HG23 ' A' ' 84' ' ' ILE . 49.2 tp -57.76 102.72 0.1 Allowed 'General case' 0 N--CA 1.536 3.864 0 CA-C-O 126.102 2.858 . . . . 0.0 108.367 166.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.519 32.7 m -65.64 -54.11 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.693 0 C-N-CA 126.591 1.956 . . . . 0.0 113.478 163.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -161.16 178.83 8.9 Favored 'General case' 0 C--O 1.262 1.753 0 O-C-N 118.979 -2.325 . . . . 0.0 113.931 -165.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.25 139.06 17.99 Favored 'General case' 0 CA--C 1.577 1.985 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -168.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.8 m -157.02 132.9 9.49 Favored 'General case' 0 CA--C 1.623 3.782 0 C-N-CA 124.634 1.174 . . . . 0.0 108.446 -178.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.301 2.3 p -133.29 102.23 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.994 0 O-C-N 128.531 3.644 . . . . 0.0 106.944 -175.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 159.2 88.15 0.07 OUTLIER Glycine 0 C--O 1.289 3.543 1 O-C-N 131.224 5.327 . . . . 0.0 116.017 163.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.28 122.91 5.76 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 117.595 2.443 . . . . 0.0 117.595 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -160.16 129.03 4.94 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 -172.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.28 0.0 OUTLIER -39.6 -57.57 1.46 Allowed 'General case' 0 CA--C 1.604 3.026 1 N-CA-C 122.07 4.1 . . . . 0.0 122.07 -178.891 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.301 6.4 p-10 -73.91 -47.75 35.66 Favored 'General case' 0 CA--C 1.626 3.871 0 CA-C-N 112.111 -2.313 . . . . 0.0 116.573 171.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -36.58 -64.53 0.61 Allowed Glycine 0 C--N 1.29 -1.98 0 C-N-CA 128.794 3.092 . . . . 0.0 119.171 175.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.481 ' HB3' ' HD3' ' A' ' 104' ' ' PRO . 21.9 tp -48.25 -59.92 5.21 Favored Pre-proline 0 CA--C 1.576 1.962 0 N-CA-C 118.163 2.653 . . . . 0.0 118.163 166.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.481 ' HD3' ' HB3' ' A' ' 103' ' ' LEU . 84.7 Cg_exo -44.61 -50.36 8.32 Favored 'Trans proline' 0 C--N 1.395 3.008 0 N-CA-C 119.334 2.782 . . . . 0.0 119.334 167.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.4 5.2 m -53.07 -54.42 35.76 Favored 'General case' 0 N--CA 1.533 3.698 0 N-CA-C 120.561 3.541 . . . . 0.0 120.561 172.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 38.5 tp -61.33 -48.71 80.09 Favored 'General case' 0 CA--C 1.583 2.224 0 C-N-CA 128.261 2.624 . . . . 0.0 112.939 174.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 99.3 t -58.28 -37.8 65.12 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.763 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 169.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.87 -56.18 25.56 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 125.086 1.491 . . . . 0.0 114.916 161.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . 0.29 46.8 mttt -48.69 -42.64 35.46 Favored 'General case' 0 C--O 1.263 1.785 0 N-CA-C 118.489 2.774 . . . . 0.0 118.489 170.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.317 33.9 m-70 -64.25 -68.87 0.32 Allowed 'General case' 0 C--O 1.194 -1.831 0 N-CA-C 119.983 3.327 . . . . 0.0 119.983 164.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.528 3.438 0 N-CA-C 120.61 3.559 . . . . 0.0 120.61 168.456 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 . . . . . 0 C--O 1.249 1.077 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.05 158.43 25.47 Favored Glycine 0 N--CA 1.499 2.873 0 CA-C-N 114.31 -1.313 . . . . 0.0 115.455 162.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -151.92 121.64 6.98 Favored 'General case' 0 CA--C 1.571 1.761 0 O-C-N 118.226 -2.926 . . . . 0.0 107.642 -169.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.2 t -85.99 130.26 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.608 3.204 0 C-N-CA 129.329 3.052 . . . . 0.0 112.391 173.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.373 0.4 OUTLIER -129.5 128.76 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.693 0 C-N-CA 129.288 3.035 . . . . 0.0 109.122 -172.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.69 137.64 56.25 Favored 'General case' 0 CA--C 1.577 1.995 0 N-CA-C 119.803 3.261 . . . . 0.0 119.803 157.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.515 ' SG ' HD13 ' A' ' 61' ' ' LEU . 72.6 m -143.87 135.1 25.72 Favored 'General case' 0 CA--C 1.588 2.414 0 CA-C-N 110.62 -2.991 . . . . 0.0 108.352 -171.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -139.79 -41.26 0.44 Allowed 'General case' 0 C--N 1.382 2.008 0 CA-C-N 110.573 -3.012 . . . . 0.0 115.521 -150.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.0 p -147.06 -168.75 3.13 Favored 'General case' 0 CA--C 1.584 2.286 0 O-C-N 118.803 -2.435 . . . . 0.0 107.385 -166.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 p -52.07 -23.43 3.95 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.613 0 C-N-CA 124.893 1.277 . . . . 0.0 112.05 167.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.56 -39.23 15.99 Favored 'General case' 0 CA--C 1.572 1.819 0 O-C-N 117.813 -3.055 . . . . 0.0 117.578 166.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.357 0.6 OUTLIER -64.42 -38.7 91.96 Favored 'General case' 0 N--CA 1.521 3.096 0 CA-C-O 115.358 -2.258 . . . . 0.0 115.06 166.255 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.411 ' NE1' HG21 ' A' ' 71' ' ' VAL 0.322 35.8 m95 -46.8 -42.89 17.78 Favored 'General case' 0 N--CA 1.522 3.145 0 O-C-N 125.963 2.039 . . . . 0.0 116.434 160.647 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -62.31 -57.05 12.79 Favored 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 121.069 3.729 . . . . 0.0 121.069 154.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -50.56 -60.68 2.78 Favored 'General case' 0 N--CA 1.528 3.468 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -54.07 -60.69 3.0 Favored 'General case' 0 N--CA 1.52 3.048 0 C-N-CA 129.899 3.28 . . . . 0.0 115.713 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.328 21.5 t80 -53.72 -59.81 4.13 Favored 'General case' 0 CA--C 1.599 2.83 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 176.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -49.9 -49.01 51.23 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 119.498 3.147 . . . . 0.0 119.498 170.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.274 22.4 mmtp -62.4 -63.18 1.31 Allowed 'General case' 0 N--CA 1.512 2.67 0 CA-C-O 117.659 -1.163 . . . . 0.0 113.784 170.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.24 -82.15 0.02 OUTLIER Glycine 1 CA--C 1.582 4.276 0 CA-C-O 125.476 2.709 . . . . 0.0 115.961 175.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -75.86 96.85 3.78 Favored 'General case' 0 CA--C 1.564 1.482 0 CA-C-O 124.543 2.116 . . . . 0.0 106.351 161.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.66 -46.63 0.34 Allowed Glycine 0 CA--C 1.571 3.559 0 CA-C-O 126.085 3.047 . . . . 0.0 114.302 166.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.9 m -117.78 123.35 45.77 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 103.87 -2.641 . . . . 0.0 103.87 -166.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -56.98 76.63 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 N-CA-C 117.884 2.55 . . . . 0.0 117.884 168.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -158.14 162.84 37.99 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.245 1.418 . . . . 0.0 110.758 -174.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.2 tp -75.71 151.36 37.68 Favored 'General case' 0 N--CA 1.525 3.295 0 C-N-CA 125.278 1.431 . . . . 0.0 114.597 148.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 86' ' ' LEU . 1.9 pt -145.94 127.61 8.04 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.447 0 C-N-CA 130.089 3.355 . . . . 0.0 106.775 176.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.4 t -133.82 142.85 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.967 0 C-N-CA 130.285 3.434 . . . . 0.0 102.847 -162.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.413 HG13 ' HE2' ' A' ' 33' ' ' PHE 0.369 2.5 p -150.15 122.53 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.526 3.346 0 O-C-N 116.676 -3.765 . . . . 0.0 104.744 -162.405 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -81.01 141.59 34.25 Favored 'General case' 0 CA--C 1.577 2.008 0 C-N-CA 128.645 2.778 . . . . 0.0 106.443 159.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.413 ' HE2' HG13 ' A' ' 31' ' ' VAL . 96.8 m-85 -123.78 105.59 9.79 Favored 'General case' 0 N--CA 1.509 2.508 0 C-N-CA 131.134 3.774 . . . . 0.0 102.414 171.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.408 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 4.1 t -152.07 142.9 22.97 Favored 'General case' 1 CA--C 1.629 4.008 0 CA-C-O 127.26 3.409 . . . . 0.0 104.561 -171.326 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.321 . . -81.37 153.57 26.92 Favored 'General case' 0 N--CA 1.528 3.437 1 CA-C-N 107.78 -4.282 . . . . 0.0 114.345 168.667 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 t -54.84 -40.75 69.95 Favored 'General case' 0 CA--C 1.577 2.011 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 161.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.26 34.8 p-90 -71.45 74.52 0.76 Allowed 'General case' 0 CA--C 1.579 2.088 0 C-N-CA 130.832 3.653 . . . . 0.0 113.777 161.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.4 t -164.41 91.46 1.03 Allowed Pre-proline 0 CA--C 1.592 2.58 0 O-C-N 125.679 1.862 . . . . 0.0 107.025 -176.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -56.33 -49.35 15.39 Favored 'Trans proline' 1 CA--C 1.607 4.154 1 C-N-CA 126.879 5.053 . . . . 0.0 115.533 159.738 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -39.98 -53.69 2.35 Favored 'Trans proline' 0 N--CA 1.527 3.487 1 CA-C-N 128.789 4.175 . . . . 0.0 116.743 167.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.641 2.3 m -61.43 -40.2 93.57 Favored 'General case' 0 N--CA 1.509 2.52 0 N-CA-C 120.649 3.574 . . . . 0.0 120.649 168.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -47.78 -44.36 28.4 Favored 'General case' 0 N--CA 1.484 1.236 1 N-CA-C 122.844 4.387 . . . . 0.0 122.844 166.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.258 15.5 ptm -63.26 -50.86 68.5 Favored 'General case' 1 N--CA 1.545 4.3 0 O-C-N 128.521 3.638 . . . . 0.0 115.425 158.758 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.537 1.0 OUTLIER -49.76 -21.72 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.836 1 N-CA-C 123.647 4.684 . . . . 0.0 123.647 169.039 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.85 -68.33 0.84 Allowed Pre-proline 0 CA--C 1.576 1.96 0 CA-C-O 114.886 -2.483 . . . . 0.0 108.509 163.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -44.85 -47.72 11.48 Favored 'Trans proline' 0 C--N 1.37 1.703 1 N-CA-C 124.396 4.729 . . . . 0.0 124.396 166.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.264 32.5 mm -53.75 -53.44 26.4 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.95 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 167.236 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -52.04 -49.04 64.23 Favored 'General case' 1 N--CA 1.55 4.57 0 CA-C-O 118.48 -0.771 . . . . 0.0 112.505 170.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.07 -56.23 20.02 Favored 'General case' 0 C--N 1.375 1.676 0 N-CA-C 119.358 3.096 . . . . 0.0 119.358 167.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.255 41.5 tt0 -48.96 -53.07 21.36 Favored 'General case' 0 N--CA 1.517 2.895 1 O-C-N 113.238 -5.914 . . . . 0.0 120.508 169.444 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.42 HD21 HG11 ' A' ' 107' ' ' VAL . 0.3 OUTLIER -50.94 -49.21 60.27 Favored 'General case' 0 CA--C 1.587 2.372 0 CA-C-O 114.619 -2.61 . . . . 0.0 114.311 160.573 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.19 -50.18 16.05 Favored 'General case' 0 C--O 1.276 2.451 0 N-CA-C 118.323 2.712 . . . . 0.0 118.323 166.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -61.5 -29.44 69.98 Favored 'General case' 0 CA--C 1.6 2.875 0 N-CA-C 118.013 2.597 . . . . 0.0 118.013 170.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -71.23 -29.84 65.61 Favored 'General case' 0 CA--C 1.578 2.034 0 C-N-CA 129.5 3.12 . . . . 0.0 114.108 173.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -136.05 98.14 11.85 Favored Pre-proline 0 CA--C 1.603 2.984 0 C-N-CA 127.212 2.205 . . . . 0.0 108.231 -157.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.261 1.8 Cg_endo -71.83 -24.47 21.21 Favored 'Trans proline' 0 CA--C 1.593 3.462 2 C-N-CA 131.788 8.326 . . . . 0.0 125.345 173.872 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -75.25 12.46 0.93 Allowed 'General case' 0 N--CA 1.535 3.815 0 C-N-CA 130.184 3.393 . . . . 0.0 114.328 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.403 1.6 p -150.11 103.27 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.151 0 CA-C-O 124.084 1.897 . . . . 0.0 109.386 -154.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.7 m -62.45 147.84 47.43 Favored 'General case' 0 CA--C 1.624 3.807 0 CA-C-O 125.228 2.442 . . . . 0.0 109.114 160.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -141.66 132.32 25.57 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 109.902 -3.317 . . . . 0.0 107.723 -176.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.515 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.347 1.0 OUTLIER -143.39 159.92 41.5 Favored 'General case' 0 CA--C 1.627 3.935 0 CA-C-N 110.38 -3.1 . . . . 0.0 107.073 -174.015 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.4 ptmm? -150.84 110.93 4.12 Favored 'General case' 0 N--CA 1.518 2.945 0 CA-C-N 112.779 -2.009 . . . . 0.0 110.271 -170.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.3 t -93.31 116.59 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.906 1 C-N-CA 132.624 4.37 . . . . 0.0 109.416 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . 0.265 11.2 t70 -64.4 96.99 0.18 Allowed 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 110.431 -3.077 . . . . 0.0 108.587 158.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.483 HG11 ' SD ' ' A' ' 80' ' ' MET 0.349 0.3 OUTLIER -57.39 -28.48 30.94 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.51 0 CA-C-O 112.76 -3.495 . . . . 0.0 119.022 174.282 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -49.74 -38.38 33.34 Favored 'General case' 1 CA--C 1.63 4.048 0 O-C-N 127.091 2.744 . . . . 0.0 117.986 168.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -77.33 -24.83 50.75 Favored 'General case' 0 CA--C 1.621 3.7 0 N-CA-C 120.127 3.38 . . . . 0.0 120.127 164.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.251 61.4 mt -138.73 37.43 2.2 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 127.035 2.134 . . . . 0.0 114.382 -158.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.39 11.1 ptpt -53.68 -47.1 70.74 Favored 'General case' 0 CA--C 1.574 1.88 1 N-CA-C 123.152 4.501 . . . . 0.0 123.152 167.228 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.35 -59.77 3.68 Favored 'General case' 0 CA--C 1.599 2.845 0 C-N-CA 127.758 2.423 . . . . 0.0 114.387 175.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.411 HG21 ' NE1' ' A' ' 15' ' ' TRP 0.457 2.1 p -54.34 -46.76 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.665 0 N-CA-C 119.134 3.013 . . . . 0.0 119.134 166.858 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.35 -44.43 62.05 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 115.927 -1.987 . . . . 0.0 113.409 170.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . 0.256 17.8 tt0 -54.4 -57.13 12.46 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 127.755 2.422 . . . . 0.0 111.973 169.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.314 0.0 OUTLIER -52.09 -53.65 39.91 Favored 'General case' 0 N--CA 1.523 3.205 0 CA-C-O 111.937 -3.887 . . . . 0.0 115.792 177.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -53.91 -45.84 71.27 Favored 'General case' 0 CA--C 1.61 3.271 0 O-C-N 128.144 3.402 . . . . 0.0 110.29 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.63 23.3 t-20 153.55 67.9 0.0 OUTLIER 'General case' 0 N--CA 1.522 3.126 0 C-N-CA 130.003 3.321 . . . . 0.0 115.02 155.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.472 HG22 HG21 ' A' ' 82' ' ' THR . 85.9 t -144.99 82.66 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.334 1 CA-C-O 130.32 4.866 . . . . 0.0 104.337 -161.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -72.65 -1.7 17.25 Favored 'General case' 0 CA--C 1.597 2.775 2 CA-C-N 106.85 -4.705 . . . . 0.0 122.919 149.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . 0.501 . . -148.36 123.67 10.25 Favored 'General case' 0 CA--C 1.628 3.953 0 O-C-N 128.679 3.737 . . . . 0.0 112.737 -160.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.483 ' SD ' HG11 ' A' ' 65' ' ' VAL 0.355 32.1 mmt -66.61 110.11 4.4 Favored Pre-proline 0 CA--C 1.624 3.816 0 CA-C-N 122.128 2.24 . . . . 0.0 114.554 149.409 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.307 84.4 Cg_endo -148.16 153.84 0.0 OUTLIER 'Cis proline' 0 N--CA 1.535 3.967 1 N-CA-C 124.22 4.661 . . . . 0.0 124.22 -8.047 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.472 HG21 HG22 ' A' ' 77' ' ' VAL . 90.0 m -117.67 139.15 51.4 Favored 'General case' 0 N--CA 1.53 3.529 1 CA-C-N 104.832 -5.622 . . . . 0.0 101.646 -140.761 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -133.96 110.1 9.46 Favored 'General case' 0 N--CA 1.511 2.593 1 O-C-N 130.728 5.017 . . . . 0.0 101.764 -169.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.3 mt -123.91 148.59 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 1 C-N-CA 132.015 4.126 . . . . 0.0 111.155 -172.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -131.46 113.19 13.4 Favored 'General case' 0 N--CA 1.526 3.368 1 CA-C-N 107.801 -4.272 . . . . 0.0 110.411 -163.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.463 ' O ' HG12 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -138.29 120.72 16.01 Favored 'General case' 0 N--CA 1.512 2.668 1 O-C-N 129.593 4.308 . . . . 0.0 102.066 -169.982 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -125.72 173.47 9.0 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 127.82 2.448 . . . . 0.0 108.608 -169.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.281 3.1 p30 -47.2 26.86 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.081 1 N-CA-C 122.329 4.196 . . . . 0.0 122.329 158.006 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.57 48.32 0.36 Allowed Glycine 0 C--N 1.258 -3.8 0 C-N-CA 125.55 1.548 . . . . 0.0 112.316 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.357 35.6 mtmt 48.74 -172.71 0.02 OUTLIER 'General case' 0 N--CA 1.519 3.0 0 N-CA-C 116.709 2.114 . . . . 0.0 116.709 -170.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.7 tp -59.63 101.63 0.12 Allowed 'General case' 0 C--N 1.27 -2.891 0 C-N-CA 130.462 3.505 . . . . 0.0 112.019 -175.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.646 29.3 m -71.31 -42.99 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 129.69 3.196 . . . . 0.0 117.528 175.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -166.28 168.47 15.09 Favored 'General case' 0 N--CA 1.517 2.924 0 CA-C-N 123.024 2.647 . . . . 0.0 110.827 -171.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.9 128.72 5.71 Favored 'General case' 0 N--CA 1.502 2.146 0 CA-C-O 123.9 1.81 . . . . 0.0 109.621 -171.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.7 m -156.43 150.56 25.24 Favored 'General case' 1 CA--C 1.632 4.122 1 O-C-N 115.972 -4.205 . . . . 0.0 104.33 -174.488 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.276 1.9 p -145.93 102.49 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.257 -3.43 0 N-CA-C 104.21 -2.515 . . . . 0.0 104.21 -173.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 167.81 91.59 0.08 OUTLIER Glycine 0 N--CA 1.419 -2.478 0 CA-C-N 110.653 -2.976 . . . . 0.0 114.749 168.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -46.57 120.08 2.74 Favored 'General case' 0 C--O 1.198 -1.605 0 N-CA-C 118.175 2.657 . . . . 0.0 118.175 169.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -156.47 128.99 7.63 Favored 'General case' 0 N--CA 1.531 3.58 0 O-C-N 119.61 -1.931 . . . . 0.0 107.556 -172.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.547 0.0 OUTLIER -44.44 -61.15 1.63 Allowed 'General case' 1 CA--C 1.633 4.151 0 CA-C-O 126.944 3.259 . . . . 0.0 115.94 177.509 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.392 17.5 p-10 -75.08 -52.06 11.95 Favored 'General case' 1 N--CA 1.54 4.039 0 CA-C-N 112.163 -2.29 . . . . 0.0 114.465 175.733 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -39.27 -57.09 2.22 Favored Glycine 0 N--CA 1.469 0.857 1 N-CA-C 123.423 4.129 . . . . 0.0 123.423 174.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.4 57.4 tp -44.93 -62.26 1.75 Allowed Pre-proline 0 N--CA 1.524 3.262 0 O-C-N 119.502 -2.175 . . . . 0.0 114.585 170.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -55.78 -34.18 90.27 Favored 'Trans proline' 0 C--O 1.267 1.947 0 C-N-CA 124.748 3.632 . . . . 0.0 118.337 167.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.9 m -59.68 -59.22 5.79 Favored 'General case' 0 CA--C 1.604 3.049 0 CA-C-N 121.47 1.941 . . . . 0.0 114.718 169.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 33.1 tp -47.95 -55.72 9.31 Favored 'General case' 0 CA--C 1.591 2.528 0 O-C-N 127.266 2.854 . . . . 0.0 116.096 171.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.42 HG11 HD21 ' A' ' 51' ' ' LEU . 54.3 t -53.82 -54.3 20.71 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.113 0 C-N-CA 129.211 3.004 . . . . 0.0 115.677 169.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.75 -52.8 8.04 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-N 119.929 1.24 . . . . 0.0 113.972 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -49.74 -53.33 25.54 Favored 'General case' 0 C--N 1.365 1.256 1 N-CA-C 122.661 4.319 . . . . 0.0 122.661 160.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.251 52.8 m-70 -58.66 -46.88 86.21 Favored 'General case' 0 N--CA 1.525 3.317 0 N-CA-C 120.417 3.488 . . . . 0.0 120.417 170.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.913 0 CA-C-O 114.572 -2.632 . . . . 0.0 116.697 167.079 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--O 1.253 1.287 0 CA-C-O 122.678 1.227 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.42 160.5 27.98 Favored Glycine 0 CA--C 1.558 2.719 0 CA-C-N 112.466 -2.152 . . . . 0.0 117.868 159.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -155.01 129.33 9.0 Favored 'General case' 0 C--N 1.375 1.686 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -168.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -84.4 131.11 34.75 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.802 1 O-C-N 129.298 4.124 . . . . 0.0 106.707 174.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 61' ' ' LEU 0.332 0.2 OUTLIER -133.21 119.09 34.49 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.087 0 C-N-CA 130.318 3.447 . . . . 0.0 104.849 -174.161 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.47 135.82 57.16 Favored 'General case' 1 CA--C 1.646 4.642 0 CA-C-O 125.297 2.475 . . . . 0.0 114.562 163.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.7 m -128.43 138.44 52.31 Favored 'General case' 0 CA--C 1.609 3.223 0 CA-C-N 109.273 -3.603 . . . . 0.0 114.217 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.8 m170 -133.51 -47.67 0.82 Allowed 'General case' 0 N--CA 1.522 3.129 1 CA-C-N 108.032 -4.167 . . . . 0.0 116.038 -160.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.4 p -146.44 -169.5 3.28 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 112.609 -2.087 . . . . 0.0 112.709 -158.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.414 5.8 p -51.36 -14.89 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.588 2.416 1 N-CA-C 122.439 4.237 . . . . 0.0 122.439 170.568 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.264 0.9 OUTLIER -61.22 -47.96 83.7 Favored 'General case' 0 CA--C 1.586 2.34 0 CA-C-N 113.396 -1.729 . . . . 0.0 114.221 160.037 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.256 1.0 OUTLIER -50.89 -34.56 28.77 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 115.243 -2.313 . . . . 0.0 116.857 164.801 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.426 ' NE1' HG21 ' A' ' 71' ' ' VAL 0.352 28.8 m95 -49.48 -55.88 11.71 Favored 'General case' 0 CA--C 1.612 3.363 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 163.07 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -55.85 -40.18 72.49 Favored 'General case' 0 N--CA 1.511 2.612 0 N-CA-C 118.994 2.961 . . . . 0.0 118.994 162.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.278 49.2 mt-10 -72.83 -61.49 1.79 Allowed 'General case' 0 CA--C 1.575 1.939 0 C-N-CA 128.531 2.732 . . . . 0.0 117.716 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -57.74 -60.43 3.71 Favored 'General case' 0 C--O 1.259 1.566 0 C-N-CA 128.07 2.548 . . . . 0.0 113.787 176.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.404 12.0 t80 -56.72 -59.06 5.57 Favored 'General case' 0 N--CA 1.515 2.809 0 N-CA-C 117.044 2.239 . . . . 0.0 117.044 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.324 3.7 mm-40 -57.68 -44.41 85.78 Favored 'General case' 0 CA--C 1.598 2.82 0 C-N-CA 126.704 2.002 . . . . 0.0 115.124 174.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.308 23.3 mmtp -57.04 -62.13 1.97 Allowed 'General case' 0 CA--C 1.582 2.19 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 165.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.23 -84.62 0.03 OUTLIER Glycine 0 CA--C 1.57 3.5 0 C-N-CA 127.261 2.362 . . . . 0.0 116.273 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -69.79 86.35 0.5 Allowed 'General case' 0 CA--C 1.585 2.322 0 CA-C-O 125.944 2.783 . . . . 0.0 112.88 159.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.92 -48.23 0.46 Allowed Glycine 0 C--N 1.379 2.919 0 CA-C-N 111.613 -2.54 . . . . 0.0 118.649 161.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.352 26.8 m -82.97 134.44 35.06 Favored 'General case' 0 CA--C 1.587 2.396 0 CA-C-N 108.955 -3.622 . . . . 0.0 107.322 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.307 22.0 mp0 -61.84 70.25 0.01 OUTLIER 'General case' 0 CA--C 1.579 2.076 0 C-N-CA 127.35 2.26 . . . . 0.0 111.549 174.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -163.82 159.22 20.94 Favored 'General case' 0 CA--C 1.563 1.456 0 CA-C-O 124.032 1.873 . . . . 0.0 111.331 -176.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.599 HD21 ' HB3' ' A' ' 110' ' ' HIS . 25.3 tp -86.29 149.07 25.32 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-N 109.315 -3.584 . . . . 0.0 107.218 162.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.5 pt -143.09 127.11 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.119 1 N-CA-C 99.92 -4.104 . . . . 0.0 99.92 -177.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.4 t -134.3 117.9 26.0 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.962 0 N-CA-C 101.858 -3.386 . . . . 0.0 101.858 -168.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.5 p -137.74 109.73 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.624 3.792 0 O-C-N 118.536 -2.603 . . . . 0.0 110.339 -156.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -73.13 148.11 44.22 Favored 'General case' 0 CA--C 1.606 3.106 1 O-C-N 130.09 4.619 . . . . 0.0 111.29 170.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -143.88 104.49 4.17 Favored 'General case' 0 C--O 1.276 2.458 1 N-CA-C 97.179 -5.119 . . . . 0.0 97.179 -171.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.7 t -151.12 145.75 25.67 Favored 'General case' 0 C--O 1.271 2.198 1 CA-C-O 131.562 5.458 . . . . 0.0 100.436 -166.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.17 145.35 37.74 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 108.916 -3.766 . . . . 0.0 112.679 167.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.7 t -54.45 -49.25 70.48 Favored 'General case' 0 N--CA 1.534 3.774 1 CA-C-O 110.852 -4.404 . . . . 0.0 114.169 161.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -59.21 76.4 0.01 OUTLIER 'General case' 1 CA--C 1.644 4.578 1 O-C-N 129.58 4.3 . . . . 0.0 115.92 158.652 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.9 t -164.31 79.39 1.44 Allowed Pre-proline 0 N--CA 1.534 3.748 0 CA-C-N 120.205 1.366 . . . . 0.0 110.505 -171.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.88 -43.97 38.82 Favored 'Trans proline' 1 CA--C 1.613 4.452 1 C-N-CA 125.491 4.128 . . . . 0.0 115.982 163.42 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.287 52.8 Cg_exo -46.06 -58.5 1.62 Allowed 'Trans proline' 0 CA--C 1.593 3.43 0 C-N-CA 124.377 3.384 . . . . 0.0 115.649 165.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.649 ' HA ' HG22 ' A' ' 44' ' ' ILE 0.443 38.6 m -56.48 -28.21 59.1 Favored 'General case' 0 C--N 1.363 1.183 1 N-CA-C 123.889 4.774 . . . . 0.0 123.889 158.706 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.288 81.8 tttt -51.41 -52.31 47.21 Favored 'General case' 0 CA--C 1.603 3.012 0 CA-C-N 122.657 2.481 . . . . 0.0 111.442 168.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.389 4.4 ptt? -61.96 -52.88 62.24 Favored 'General case' 0 N--CA 1.53 3.563 0 N-CA-C 119.714 3.227 . . . . 0.0 119.714 156.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.649 HG22 ' HA ' ' A' ' 41' ' ' CYS 0.617 1.2 tp -43.89 -37.5 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.364 1 N-CA-C 122.271 4.174 . . . . 0.0 122.271 177.865 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.21 -52.79 70.13 Favored Pre-proline 0 N--CA 1.504 2.254 0 CA-C-O 115.716 -2.088 . . . . 0.0 114.822 165.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.84 -48.33 18.27 Favored 'Trans proline' 0 C--N 1.385 2.463 0 CA-C-N 124.57 2.668 . . . . 0.0 118.743 158.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.269 51.5 mm -55.3 -52.19 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.192 0 O-C-N 118.266 -2.771 . . . . 0.0 111.648 172.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -57.43 -43.69 84.05 Favored 'General case' 0 CA--C 1.6 2.883 0 O-C-N 119.272 -2.143 . . . . 0.0 113.11 175.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.54 -46.33 87.06 Favored 'General case' 0 CA--C 1.579 2.073 1 N-CA-C 123.239 4.533 . . . . 0.0 123.239 160.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.331 18.6 tt0 -54.22 -42.67 70.09 Favored 'General case' 0 N--CA 1.513 2.706 0 CA-C-O 128.031 3.777 . . . . 0.0 117.263 165.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -59.42 -52.65 64.69 Favored 'General case' 0 C--N 1.279 -2.498 0 CA-C-N 112.047 -2.342 . . . . 0.0 115.352 171.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.6 -46.05 73.73 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 118.03 2.604 . . . . 0.0 118.03 170.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -51.64 -43.54 62.65 Favored 'General case' 0 CA--C 1.618 3.572 0 C-N-CA 125.515 1.526 . . . . 0.0 114.978 164.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.3 36.9 ttmt -62.47 -31.04 71.71 Favored 'General case' 0 CA--C 1.607 3.147 0 N-CA-C 117.078 2.251 . . . . 0.0 117.078 173.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.494 ' HB3' ' CG1' ' A' ' 58' ' ' VAL . 4.7 m-85 -134.38 93.09 19.56 Favored Pre-proline 0 CA--C 1.611 3.309 0 C-N-CA 129.815 3.246 . . . . 0.0 109.463 -153.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -67.22 -29.85 38.5 Favored 'Trans proline' 0 CA--C 1.575 2.568 2 C-N-CA 130.754 7.636 . . . . 0.0 126.308 172.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -66.25 0.19 2.2 Favored 'General case' 0 C--O 1.274 2.392 0 O-C-N 126.366 2.291 . . . . 0.0 116.37 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 55' ' ' PHE 0.272 4.3 p -146.9 112.95 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.404 0 CA-C-O 124.477 2.084 . . . . 0.0 106.996 -148.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 95.8 m -70.34 154.07 42.32 Favored 'General case' 0 N--CA 1.526 3.369 0 CA-C-N 111.077 -2.783 . . . . 0.0 111.39 164.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -149.21 134.08 17.94 Favored 'General case' 0 CA--C 1.573 1.859 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -171.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.451 ' HA ' ' O ' ' A' ' 7' ' ' ILE . 2.7 pp -154.71 164.8 38.23 Favored 'General case' 0 C--N 1.388 2.264 0 N-CA-C 104.373 -2.455 . . . . 0.0 104.373 -171.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -156.5 127.59 6.93 Favored 'General case' 0 CA--C 1.558 1.276 0 O-C-N 118.434 -2.666 . . . . 0.0 112.557 -169.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.7 t -93.19 124.79 45.74 Favored 'Isoleucine or valine' 0 C--O 1.248 0.993 0 CA-C-O 126.379 2.99 . . . . 0.0 107.828 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -70.8 107.67 4.1 Favored 'General case' 1 N--CA 1.561 5.112 1 O-C-N 115.992 -4.192 . . . . 0.0 108.2 146.86 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.373 0.3 OUTLIER -64.98 -43.04 96.21 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.408 0 C-N-CA 127.889 2.476 . . . . 0.0 114.627 -177.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.71 -45.99 4.93 Favored 'General case' 0 N--CA 1.521 3.091 0 O-C-N 119.532 -1.98 . . . . 0.0 114.607 168.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -53.72 -52.2 60.85 Favored 'General case' 0 CA--C 1.568 1.649 0 N-CA-C 121.77 3.989 . . . . 0.0 121.77 160.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.0 mt -134.01 45.95 2.57 Favored 'General case' 0 CA--C 1.604 3.055 0 C-N-CA 131.439 3.895 . . . . 0.0 112.975 -160.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.507 19.0 ptpt -57.24 -45.18 84.16 Favored 'General case' 0 C--N 1.284 -2.248 0 O-C-N 118.692 -2.505 . . . . 0.0 116.61 172.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.72 -72.52 0.06 Allowed 'General case' 0 CA--C 1.576 1.954 0 C-N-CA 130.441 3.497 . . . . 0.0 118.562 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.426 HG21 ' NE1' ' A' ' 15' ' ' TRP . 7.1 p -64.53 -38.32 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.129 0 CA-C-N 108.837 -3.801 . . . . 0.0 117.76 166.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.67 -40.55 75.74 Favored 'General case' 0 N--CA 1.534 3.745 1 O-C-N 114.937 -4.852 . . . . 0.0 110.83 171.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 76' ' ' ASN 0.311 36.4 tt0 -57.71 -53.84 53.68 Favored 'General case' 0 C--N 1.285 -2.203 1 O-C-N 116.082 -4.136 . . . . 0.0 116.194 167.947 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.275 0.0 OUTLIER -53.17 -41.45 65.21 Favored 'General case' 0 C--O 1.304 3.969 0 N-CA-C 120.201 3.408 . . . . 0.0 120.201 172.649 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -59.74 -51.62 68.97 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 125.025 3.557 . . . . 0.0 112.975 161.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' A' ' 73' ' ' GLU . 5.4 t-20 153.53 83.95 0.0 OUTLIER 'General case' 2 CA--C 1.653 4.915 1 CA-C-O 129.478 4.466 . . . . 0.0 106.837 149.206 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.5 t -131.63 94.24 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.588 2.422 0 O-C-N 117.035 -3.54 . . . . 0.0 108.735 -176.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.27 0.0 OUTLIER -89.0 -26.24 21.57 Favored 'General case' 1 C--O 1.139 -4.733 1 CA-C-N 108.015 -4.175 . . . . 0.0 116.112 164.66 . . . . . . . . 5 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.66 144.05 30.18 Favored 'General case' 1 N--CA 1.541 4.118 0 O-C-N 116.587 -3.821 . . . . 0.0 109.851 -160.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.7 mmt -91.1 113.83 59.55 Favored Pre-proline 0 C--O 1.267 1.979 0 O-C-N 117.219 -3.426 . . . . 0.0 106.845 173.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.409 97.6 Cg_endo -155.62 142.45 0.0 OUTLIER 'Cis proline' 1 C--N 1.46 6.41 1 N-CA-C 123.871 4.527 . . . . 0.0 123.871 3.071 . . . . . . . . 4 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.7 m -122.2 127.72 50.33 Favored 'General case' 0 C--N 1.309 -1.186 1 CA-C-N 105.411 -5.359 . . . . 0.0 104.12 -134.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -119.08 121.17 39.22 Favored 'General case' 0 C--N 1.39 2.327 3 CA-C-N 107.384 -4.462 . . . . 0.0 99.377 -163.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.258 1.4 mt -122.32 161.36 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.396 0 CA-C-O 126.473 3.035 . . . . 0.0 106.357 -175.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -142.26 104.62 4.47 Favored 'General case' 1 N--CA 1.541 4.075 0 N-CA-C 102.441 -3.17 . . . . 0.0 102.441 -157.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.79 121.25 19.32 Favored 'General case' 0 CA--C 1.586 2.351 0 N-CA-C 102.394 -3.187 . . . . 0.0 102.394 -171.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -113.01 166.88 11.0 Favored 'General case' 0 CA--C 1.581 2.154 0 C-N-CA 130.834 3.653 . . . . 0.0 109.125 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -66.85 63.46 0.05 Allowed 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 119.245 3.054 . . . . 0.0 119.245 156.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 174.98 53.01 0.05 OUTLIER Glycine 0 CA--C 1.555 2.584 0 C-N-CA 129.502 3.43 . . . . 0.0 109.205 169.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.255 53.4 mtmt 65.24 -176.35 0.18 Allowed 'General case' 1 N--CA 1.539 4.022 1 C-N-CA 132.709 4.404 . . . . 0.0 121.746 -177.115 . . . . . . . . 4 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.43 96.85 0.12 Allowed 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 125.866 1.667 . . . . 0.0 114.477 171.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.289 29.2 m -67.3 -54.92 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.612 3.336 0 CA-C-O 115.821 -2.038 . . . . 0.0 115.656 174.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.02 169.15 24.01 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 120.157 3.391 . . . . 0.0 120.157 -169.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.9 128.3 3.21 Favored 'General case' 0 CA--C 1.579 2.06 0 O-C-N 125.006 1.441 . . . . 0.0 112.291 -170.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.5 m -146.55 148.58 32.3 Favored 'General case' 0 CA--C 1.582 2.176 0 C-N-CA 126.555 1.942 . . . . 0.0 106.546 -173.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -140.63 98.63 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.616 3.502 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 -165.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 174.48 121.19 0.62 Allowed Glycine 0 CA--C 1.558 2.771 0 O-C-N 128.674 3.734 . . . . 0.0 106.735 168.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . 0.324 . . -67.65 101.67 1.06 Allowed 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 112.148 -2.026 . . . . 0.0 111.804 159.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -152.56 115.16 4.53 Favored 'General case' 0 CA--C 1.562 1.429 0 N-CA-C 100.793 -3.78 . . . . 0.0 100.793 -170.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.15 -54.48 6.8 Favored 'General case' 0 N--CA 1.522 3.131 0 N-CA-C 118.979 2.955 . . . . 0.0 118.979 -177.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.256 6.1 p-10 -65.94 -56.8 9.88 Favored 'General case' 0 N--CA 1.511 2.622 0 C-N-CA 127.607 2.363 . . . . 0.0 114.704 167.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -34.9 -56.78 0.82 Allowed Glycine 1 N--CA 1.531 4.99 0 N-CA-C 120.847 3.099 . . . . 0.0 120.847 178.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.33 17.7 tp -48.63 -63.25 1.67 Allowed Pre-proline 0 CA--C 1.611 3.296 0 C-N-CA 127.892 2.477 . . . . 0.0 113.886 170.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -47.67 -44.37 26.33 Favored 'Trans proline' 0 C--N 1.368 1.589 0 N-CA-C 121.795 3.729 . . . . 0.0 121.795 167.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.325 5.7 m -48.13 -61.35 2.02 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 127.234 2.834 . . . . 0.0 115.261 175.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.92 -56.1 22.75 Favored 'General case' 0 CA--C 1.578 2.05 0 CA-C-O 114.092 -2.861 . . . . 0.0 114.504 175.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.278 40.4 t -45.56 -40.44 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.187 0 CA-C-N 123.739 2.972 . . . . 0.0 117.096 165.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.01 -48.36 80.27 Favored 'General case' 0 C--N 1.378 1.828 0 N-CA-C 118.994 2.961 . . . . 0.0 118.994 176.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -62.01 -42.3 99.01 Favored 'General case' 0 CA--C 1.62 3.664 0 CA-C-N 112.306 -2.225 . . . . 0.0 111.677 165.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.599 ' HB3' HD21 ' A' ' 28' ' ' LEU . 22.0 m-70 -54.05 -58.03 8.86 Favored 'General case' 0 CA--C 1.591 2.548 1 O-C-N 114.886 -4.884 . . . . 0.0 118.829 165.52 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.527 3.412 0 N-CA-C 119.412 3.116 . . . . 0.0 119.412 174.047 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.271 0.3 OUTLIER . . . . . 0 N--CA 1.502 2.163 0 CA-C-O 122.522 1.153 . . . . 0.0 109.127 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.72 158.96 51.85 Favored Glycine 0 N--CA 1.513 3.801 0 C-N-CA 127.442 2.449 . . . . 0.0 112.459 164.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -144.16 116.03 8.29 Favored 'General case' 0 C--O 1.179 -2.629 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 -155.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.4 t -90.31 116.77 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-O 125.012 2.339 . . . . 0.0 108.499 172.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -132.37 121.23 45.29 Favored 'Isoleucine or valine' 0 CA--C 1.612 3.355 0 C-N-CA 129.367 3.067 . . . . 0.0 106.696 -176.238 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.72 149.3 49.4 Favored 'General case' 0 CA--C 1.583 2.241 0 N-CA-C 117.292 2.33 . . . . 0.0 117.292 166.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.532 ' SG ' HD13 ' A' ' 61' ' ' LEU . 82.2 m -138.24 139.06 39.05 Favored 'General case' 0 CA--C 1.594 2.669 0 CA-C-O 125.666 2.651 . . . . 0.0 110.828 -167.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -149.36 -11.17 0.31 Allowed 'General case' 0 CA--C 1.588 2.417 0 O-C-N 118.644 -2.535 . . . . 0.0 115.49 -165.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.5 p -155.69 -174.48 4.98 Favored 'General case' 0 C--N 1.391 2.379 0 O-C-N 116.982 -3.574 . . . . 0.0 106.872 -163.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.343 14.8 p -55.77 -23.01 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.554 0 O-C-N 118.642 -2.536 . . . . 0.0 116.293 166.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -50.33 -45.96 55.25 Favored 'General case' 0 N--CA 1.519 2.982 0 N-CA-C 118.408 2.744 . . . . 0.0 118.408 167.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.7 -33.91 72.21 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 119.181 3.03 . . . . 0.0 119.181 162.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -54.3 -42.54 70.2 Favored 'General case' 0 CA--C 1.586 2.354 0 CA-C-O 115.468 -2.206 . . . . 0.0 112.812 165.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -60.26 -58.6 7.83 Favored 'General case' 0 CA--C 1.585 2.297 0 O-C-N 128.546 3.654 . . . . 0.0 114.13 164.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.32 27.2 mt-10 -43.72 -59.0 2.41 Favored 'General case' 0 N--CA 1.538 3.969 0 O-C-N 119.104 -2.248 . . . . 0.0 116.326 175.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -51.97 -66.11 0.44 Allowed 'General case' 0 CA--C 1.607 3.144 1 CA-C-O 129.005 4.241 . . . . 0.0 115.081 -177.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.25 41.1 m-85 -60.64 -58.21 9.45 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 113.807 -2.997 . . . . 0.0 117.385 177.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -53.34 -50.33 65.25 Favored 'General case' 0 N--CA 1.529 3.489 0 O-C-N 127.129 2.768 . . . . 0.0 115.793 174.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -59.73 -59.94 4.63 Favored 'General case' 0 CA--C 1.586 2.365 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 170.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.34 -83.93 0.02 OUTLIER Glycine 0 N--CA 1.512 3.737 0 C-N-CA 127.1 2.286 . . . . 0.0 114.498 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -71.81 97.95 1.89 Allowed 'General case' 0 C--O 1.268 2.066 0 CA-C-O 127.641 3.591 . . . . 0.0 111.226 154.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.95 -46.66 0.36 Allowed Glycine 0 CA--C 1.534 1.237 0 CA-C-N 109.805 -3.361 . . . . 0.0 114.482 163.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -110.85 140.52 45.23 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 129.145 3.497 . . . . 0.0 104.373 -172.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -60.57 72.87 0.01 OUTLIER 'General case' 0 N--CA 1.533 3.68 0 CA-C-O 127.887 3.708 . . . . 0.0 116.557 169.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -162.27 155.97 20.99 Favored 'General case' 0 C--N 1.418 3.558 1 O-C-N 116.122 -4.111 . . . . 0.0 115.272 -176.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.7 tp -83.75 153.79 23.94 Favored 'General case' 0 N--CA 1.526 3.329 0 C-N-CA 126.119 1.768 . . . . 0.0 108.616 155.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -151.71 135.38 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 N-CA-C 103.291 -2.855 . . . . 0.0 103.291 -174.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.8 142.41 44.06 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 C-N-CA 128.605 2.762 . . . . 0.0 109.65 -167.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.306 1.0 OUTLIER -151.33 103.85 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.622 3.723 0 O-C-N 120.06 -1.65 . . . . 0.0 106.929 -166.071 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -76.33 104.38 6.83 Favored 'General case' 0 CA--C 1.601 2.926 0 C-N-CA 131.675 3.99 . . . . 0.0 113.13 170.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -86.6 105.08 16.61 Favored 'General case' 0 C--O 1.299 3.66 0 C-N-CA 129.49 3.116 . . . . 0.0 103.216 171.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.3 t -158.04 157.66 33.34 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 119.752 -1.842 . . . . 0.0 109.492 -173.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.281 . . -100.44 147.65 25.62 Favored 'General case' 0 N--CA 1.508 2.433 0 CA-C-O 126.101 2.858 . . . . 0.0 108.989 176.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 t -52.87 -40.85 63.78 Favored 'General case' 0 N--CA 1.535 3.805 0 N-CA-C 117.647 2.462 . . . . 0.0 117.647 168.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.359 47.4 p-90 -71.31 79.02 0.73 Allowed 'General case' 0 CA--C 1.571 1.78 0 O-C-N 127.486 2.991 . . . . 0.0 112.957 160.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.7 t -164.0 94.63 1.02 Allowed Pre-proline 0 CA--C 1.559 1.294 0 N-CA-C 104.117 -2.549 . . . . 0.0 104.117 176.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.262 6.9 Cg_endo -53.84 -43.51 57.42 Favored 'Trans proline' 1 CA--C 1.608 4.175 1 C-N-CA 125.347 4.031 . . . . 0.0 116.393 167.322 . . . . . . . . 4 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.381 39.6 Cg_exo -47.5 -56.57 2.95 Favored 'Trans proline' 0 C--N 1.372 1.805 1 C-N-CA 126.14 4.56 . . . . 0.0 117.914 168.082 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.446 ' HA ' HG22 ' A' ' 44' ' ' ILE 0.289 71.8 m -63.84 -18.72 64.42 Favored 'General case' 0 CA--C 1.478 -1.797 0 N-CA-C 119.907 3.299 . . . . 0.0 119.907 158.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.277 62.7 mttp -54.21 -58.99 5.3 Favored 'General case' 0 N--CA 1.517 2.904 0 O-C-N 116.375 -3.953 . . . . 0.0 114.135 160.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.384 15.3 ptt? -50.98 -38.01 48.32 Favored 'General case' 1 CA--C 1.656 5.05 0 O-C-N 117.281 -3.387 . . . . 0.0 120.082 162.666 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.446 HG22 ' HA ' ' A' ' 41' ' ' CYS 0.521 1.0 OUTLIER -64.08 -24.75 36.48 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.493 0 N-CA-C 119.264 3.061 . . . . 0.0 119.264 168.859 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.298 . . -56.24 -63.49 3.32 Favored Pre-proline 0 N--CA 1.501 2.091 0 CA-C-N 123.626 2.921 . . . . 0.0 114.699 164.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . 0.316 28.1 Cg_endo -48.82 -39.34 39.12 Favored 'Trans proline' 0 C--O 1.259 1.542 0 N-CA-C 120.73 3.319 . . . . 0.0 120.73 159.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.42 46.8 mm -60.48 -52.51 60.55 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.907 0 CA-C-N 123.793 2.997 . . . . 0.0 112.771 173.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -47.62 -55.5 9.21 Favored 'General case' 0 CA--C 1.571 1.782 0 CA-C-O 113.866 -2.969 . . . . 0.0 114.175 169.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.09 -44.3 87.54 Favored 'General case' 0 CA--C 1.61 3.263 1 N-CA-C 123.959 4.8 . . . . 0.0 123.959 165.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.341 3.1 tm-20 -45.12 -64.79 0.64 Allowed 'General case' 0 CA--C 1.588 2.436 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 166.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 55' ' ' PHE 0.346 0.7 OUTLIER -61.15 -37.72 83.89 Favored 'General case' 0 CA--C 1.604 3.036 0 O-C-N 127.916 3.26 . . . . 0.0 114.574 174.078 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.42 -45.84 73.08 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 118.374 -2.704 . . . . 0.0 117.409 162.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -59.74 -30.35 68.78 Favored 'General case' 0 N--CA 1.528 3.426 0 N-CA-C 120.234 3.42 . . . . 0.0 120.234 163.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -66.25 -40.84 90.47 Favored 'General case' 0 CA--C 1.583 2.239 0 CA-C-O 123.545 1.64 . . . . 0.0 113.795 170.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.438 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 2.0 m-85 -126.95 99.47 28.88 Favored Pre-proline 0 CA--C 1.6 2.889 0 C-N-CA 130.413 3.485 . . . . 0.0 103.43 -155.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.356 35.6 Cg_endo -73.42 -24.4 16.44 Favored 'Trans proline' 1 CA--C 1.611 4.367 2 C-N-CA 132.274 8.65 . . . . 0.0 122.994 176.438 . . . . . . . . 4 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -79.53 18.17 0.77 Allowed 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 129.723 3.209 . . . . 0.0 117.262 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.409 HG13 ' CE2' ' A' ' 60' ' ' PHE 0.258 7.7 p -155.41 118.74 0.44 Allowed 'Isoleucine or valine' 1 CA--C 1.655 4.986 0 C-N-CA 116.723 -1.991 . . . . 0.0 109.353 -158.432 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.1 m -84.76 154.96 22.07 Favored 'General case' 0 CA--C 1.574 1.88 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 169.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.409 ' CE2' HG13 ' A' ' 58' ' ' VAL . 97.2 m-85 -145.92 129.2 16.74 Favored 'General case' 0 CA--C 1.585 2.325 0 CA-C-N 109.545 -3.479 . . . . 0.0 109.977 -171.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.532 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.418 2.1 pp -144.14 158.61 43.62 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 127.299 3.428 . . . . 0.0 103.602 -170.4 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -150.76 114.53 4.97 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 110.89 -2.868 . . . . 0.0 111.773 -174.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 73.9 t -84.72 128.68 38.72 Favored 'Isoleucine or valine' 0 C--N 1.36 1.056 0 C-N-CA 127.976 2.51 . . . . 0.0 112.134 173.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -69.38 100.27 1.34 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.573 1.949 . . . . 0.0 108.365 156.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.389 8.9 p -48.09 -41.19 9.76 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.93 0 N-CA-C 118.88 2.918 . . . . 0.0 118.88 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -50.25 -33.19 18.84 Favored 'General case' 0 N--CA 1.517 2.901 0 N-CA-C 118.57 2.804 . . . . 0.0 118.57 171.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -62.89 -54.6 36.2 Favored 'General case' 0 N--CA 1.517 2.886 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 163.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.7 mt -130.07 48.75 2.35 Favored 'General case' 0 CA--C 1.579 2.067 0 C-N-CA 128.749 2.82 . . . . 0.0 109.063 -158.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -65.02 -48.27 74.52 Favored 'General case' 0 CA--C 1.616 3.495 0 CA-C-O 114.398 -2.715 . . . . 0.0 116.941 165.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.252 . . -50.71 -55.06 18.35 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 128.644 2.778 . . . . 0.0 113.65 173.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.338 5.4 p -61.85 -50.19 81.16 Favored 'Isoleucine or valine' 0 CA--C 1.612 3.34 0 N-CA-C 118.325 2.713 . . . . 0.0 118.325 167.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 77' ' ' VAL . . . -44.76 -51.11 9.69 Favored 'General case' 0 C--O 1.27 2.152 0 N-CA-C 115.467 1.655 . . . . 0.0 115.467 168.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -52.16 -47.12 65.65 Favored 'General case' 0 C--N 1.382 2.019 0 CA-C-O 116.01 -1.947 . . . . 0.0 115.174 172.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.591 3.8 pt-20 -54.39 -62.98 1.3 Allowed 'General case' 0 C--N 1.396 2.6 1 CA-C-O 111.607 -4.045 . . . . 0.0 116.59 176.131 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -43.28 -47.89 6.65 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-N 124.105 3.139 . . . . 0.0 119.372 166.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.3 t30 151.53 82.63 0.0 OUTLIER 'General case' 1 N--CA 1.544 4.239 0 N-CA-C 100.562 -3.866 . . . . 0.0 100.562 149.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 72' ' ' ALA . 19.3 t -151.26 74.57 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.613 3.396 0 C-N-CA 126.787 2.035 . . . . 0.0 109.683 -169.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -72.69 -7.7 51.75 Favored 'General case' 0 CA--C 1.58 2.106 0 O-C-N 128.76 3.787 . . . . 0.0 118.59 149.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.64 118.53 11.17 Favored 'General case' 0 C--N 1.4 2.792 0 C-N-CA 128.71 2.804 . . . . 0.0 118.001 -163.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -67.95 116.93 43.55 Favored Pre-proline 0 CA--C 1.592 2.558 0 CA-C-N 112.97 -1.923 . . . . 0.0 113.918 166.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.419 29.1 Cg_endo -153.97 128.88 0.0 OUTLIER 'Cis proline' 2 N--CA 1.575 6.291 0 N-CA-C 120.692 3.305 . . . . 0.0 120.692 0.681 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.2 m -95.96 136.05 36.91 Favored 'General case' 1 C--N 1.455 5.161 3 O-C-N 135.799 8.187 . . . . 0.0 99.788 -154.604 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -106.09 129.99 54.08 Favored 'General case' 0 CA--C 1.474 -1.962 1 CA-C-N 103.499 -6.228 . . . . 0.0 103.448 171.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.54 145.25 34.39 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.352 0 C-N-CA 129.213 3.005 . . . . 0.0 108.597 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -141.18 121.27 13.75 Favored 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 124.706 1.202 . . . . 0.0 110.674 -157.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.86 127.64 29.2 Favored 'General case' 1 CA--C 1.653 4.906 1 O-C-N 130.446 4.841 . . . . 0.0 103.797 -170.943 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.252 29.9 tptt -95.58 170.78 9.1 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 131.096 3.759 . . . . 0.0 113.722 167.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -59.25 29.17 0.01 OUTLIER 'General case' 0 N--CA 1.521 3.106 0 N-CA-C 117.137 2.273 . . . . 0.0 117.137 157.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.05 40.78 0.21 Allowed Glycine 2 CA--C 1.634 7.502 0 CA-C-O 124.983 2.435 . . . . 0.0 118.43 -178.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.302 19.1 mttt 85.37 178.19 0.04 OUTLIER 'General case' 0 N--CA 1.513 2.686 0 CA-C-O 112.44 -3.648 . . . . 0.0 115.547 171.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.1 tp -47.16 108.91 0.16 Allowed 'General case' 1 CA--C 1.637 4.308 0 O-C-N 126.1 2.125 . . . . 0.0 113.838 172.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.266 5.5 m -81.6 -45.36 20.44 Favored 'Isoleucine or valine' 0 C--O 1.262 1.736 0 CA-C-N 112.368 -2.196 . . . . 0.0 114.059 169.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -169.55 170.1 8.38 Favored 'General case' 0 N--CA 1.524 3.265 0 CA-C-N 122.061 2.209 . . . . 0.0 113.168 -174.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -153.09 134.37 14.23 Favored 'General case' 0 C--O 1.288 3.129 0 C-N-CA 128.323 2.649 . . . . 0.0 105.969 -178.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 76.7 m -161.48 143.91 12.02 Favored 'General case' 0 N--CA 1.521 3.095 0 CA-C-O 127.402 3.477 . . . . 0.0 107.961 -175.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.307 2.4 p -130.38 108.05 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.81 0 CA-C-N 110.699 -2.955 . . . . 0.0 103.064 -157.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -171.68 -160.39 20.12 Favored Glycine 0 C--N 1.389 3.502 0 CA-C-O 117.137 -1.924 . . . . 0.0 111.267 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -172.47 107.2 0.19 Allowed 'General case' 0 CA--C 1.598 2.818 0 C-N-CA 127.5 2.32 . . . . 0.0 105.092 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -170.12 127.46 0.85 Allowed 'General case' 0 N--CA 1.515 2.814 0 CA-C-N 112.499 -2.137 . . . . 0.0 110.568 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -47.79 -49.91 27.36 Favored 'General case' 0 CA--C 1.602 2.963 0 N-CA-C 120.242 3.423 . . . . 0.0 120.242 174.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -71.32 -42.24 68.84 Favored 'General case' 0 CA--C 1.594 2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 113.856 164.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -43.95 -55.8 5.45 Favored Glycine 1 N--CA 1.534 5.231 0 N-CA-C 121.113 3.205 . . . . 0.0 121.113 177.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.66 -53.62 21.18 Favored Pre-proline 0 CA--C 1.591 2.533 0 CA-C-O 116.708 -1.615 . . . . 0.0 112.463 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -43.86 -49.81 7.87 Favored 'Trans proline' 0 N--CA 1.441 -1.58 0 N-CA-C 120.416 3.198 . . . . 0.0 120.416 160.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.4 m -52.1 -60.9 2.65 Favored 'General case' 0 CA--C 1.596 2.719 0 O-C-N 117.856 -3.027 . . . . 0.0 113.639 171.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.359 50.0 tp -51.56 -56.35 14.01 Favored 'General case' 0 CA--C 1.573 1.845 0 C-N-CA 127.276 2.23 . . . . 0.0 114.792 177.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.286 11.7 t -53.58 -56.2 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.836 0 CA-C-O 114.609 -2.615 . . . . 0.0 116.303 163.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.28 -52.57 7.42 Favored 'General case' 0 CA--C 1.609 3.218 0 CA-C-O 124.349 2.024 . . . . 0.0 112.349 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -53.16 -39.78 63.82 Favored 'General case' 0 C--N 1.381 1.955 0 N-CA-C 118.449 2.759 . . . . 0.0 118.449 172.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -71.16 -60.24 2.34 Favored 'General case' 0 CA--C 1.582 2.184 0 CA-C-O 125.646 2.641 . . . . 0.0 117.847 168.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.203 -1.378 0 CA-C-O 112.008 -3.853 . . . . 0.0 117.974 -179.644 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.571 1.784 0 CA-C-O 123.952 1.834 . . . . 0.0 107.097 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -143.85 123.94 13.66 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 -168.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -159.41 156.34 28.24 Favored 'General case' 0 CA--C 1.604 3.057 0 CA-C-N 113.601 -1.636 . . . . 0.0 111.483 -174.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.11 157.83 53.36 Favored Glycine 0 CA--C 1.557 2.658 0 O-C-N 127.81 3.194 . . . . 0.0 109.236 165.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -135.82 111.25 9.14 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 102.603 -3.11 . . . . 0.0 102.603 -165.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -78.84 116.35 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.277 0 C-N-CA 127.265 2.226 . . . . 0.0 109.509 163.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.258 0.3 OUTLIER -120.62 127.27 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 -178.462 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.93 149.14 39.5 Favored 'General case' 0 C--N 1.365 1.278 0 C-N-CA 128.509 2.724 . . . . 0.0 115.249 167.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.3 m -150.98 145.17 25.38 Favored 'General case' 0 CA--C 1.601 2.928 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -160.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -141.55 -42.81 0.36 Allowed 'General case' 0 C--O 1.248 0.975 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -147.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 p -145.29 -169.57 3.23 Favored 'General case' 0 CA--C 1.584 2.251 0 C-N-CA 126.612 1.965 . . . . 0.0 110.903 -162.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.263 8.0 p -48.37 -24.0 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 117.213 2.301 . . . . 0.0 117.213 165.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.5 -39.64 67.78 Favored 'General case' 0 CA--C 1.572 1.802 0 N-CA-C 120.096 3.369 . . . . 0.0 120.096 165.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.326 1.6 t -59.87 -35.13 74.16 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 119.776 3.25 . . . . 0.0 119.776 159.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -49.69 -44.21 47.91 Favored 'General case' 0 C--N 1.377 1.799 0 O-C-N 119.256 -2.153 . . . . 0.0 115.276 163.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -57.77 -56.06 26.8 Favored 'General case' 0 C--O 1.206 -1.233 0 O-C-N 121.131 -0.98 . . . . 0.0 113.608 166.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.33 -61.02 2.9 Favored 'General case' 0 CA--C 1.611 3.304 0 O-C-N 117.717 -3.114 . . . . 0.0 116.06 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -50.66 -65.1 0.62 Allowed 'General case' 0 CA--C 1.573 1.848 0 N-CA-C 116.952 2.204 . . . . 0.0 116.952 176.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.304 7.7 t80 -56.3 -55.76 29.44 Favored 'General case' 0 CA--C 1.591 2.521 1 N-CA-C 123.331 4.567 . . . . 0.0 123.331 177.286 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.535 39.6 mm-40 -63.31 -38.38 90.95 Favored 'General case' 0 CA--C 1.583 2.234 0 N-CA-C 120.971 3.693 . . . . 0.0 120.971 171.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.264 30.6 mmtp -58.57 -65.45 0.65 Allowed 'General case' 0 CA--C 1.568 1.655 0 CA-C-O 117.223 -1.37 . . . . 0.0 114.083 156.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.31 -79.47 0.06 OUTLIER Glycine 1 CA--C 1.585 4.426 0 C-N-CA 128.357 2.884 . . . . 0.0 117.149 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -79.41 78.93 5.9 Favored 'General case' 0 C--N 1.376 1.74 0 C-N-CA 127.541 2.336 . . . . 0.0 112.302 161.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.61 -39.06 0.12 Allowed Glycine 0 C--O 1.248 1.023 0 CA-C-N 112.929 -1.941 . . . . 0.0 116.586 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.9 m -119.43 139.27 52.31 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 129.508 3.123 . . . . 0.0 105.844 -175.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -71.75 87.15 0.96 Allowed 'General case' 0 C--O 1.272 2.289 0 CA-C-N 110.899 -2.864 . . . . 0.0 110.955 166.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -166.41 154.79 10.54 Favored 'General case' 0 CA--C 1.584 2.285 0 O-C-N 127.625 3.078 . . . . 0.0 111.646 176.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.9 tp -76.4 153.09 36.01 Favored 'General case' 0 CA--C 1.583 2.213 0 CA-C-O 123.165 1.459 . . . . 0.0 108.605 153.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -146.45 134.26 15.27 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.076 0 N-CA-C 104.562 -2.385 . . . . 0.0 104.562 -179.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 59.3 t -136.98 134.12 47.98 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.124 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 -166.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 p -147.27 122.64 2.56 Favored 'Isoleucine or valine' 0 C--N 1.369 1.428 0 CA-C-N 112.65 -2.068 . . . . 0.0 108.629 -168.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -81.7 146.03 30.21 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-N 111.878 -2.419 . . . . 0.0 108.331 165.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -125.71 100.06 6.26 Favored 'General case' 0 C--O 1.275 2.426 0 C-N-CA 130.278 3.431 . . . . 0.0 102.988 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.528 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 9.6 t -145.65 138.14 25.73 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 128.896 2.879 . . . . 0.0 107.542 -168.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.27 . . -73.8 139.86 45.44 Favored 'General case' 0 CA--C 1.565 1.531 0 CA-C-N 110.91 -2.859 . . . . 0.0 109.162 161.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.1 t -55.82 -39.78 71.84 Favored 'General case' 0 CA--C 1.609 3.215 0 CA-C-N 112.543 -2.117 . . . . 0.0 115.76 172.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.271 45.6 p-90 -59.86 90.73 0.02 OUTLIER 'General case' 0 C--N 1.374 1.644 0 N-CA-C 119.383 3.105 . . . . 0.0 119.383 143.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.7 t -175.52 89.63 0.29 Allowed Pre-proline 0 CA--C 1.56 1.335 0 C-N-CA 126.098 1.759 . . . . 0.0 106.936 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -56.15 -41.42 76.96 Favored 'Trans proline' 1 CA--C 1.606 4.124 0 C-N-CA 123.046 2.498 . . . . 0.0 115.842 163.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -47.04 -50.25 11.29 Favored 'Trans proline' 0 CA--C 1.574 2.503 0 CA-C-N 127.163 3.594 . . . . 0.0 120.788 162.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.512 77.1 m -60.47 -25.36 65.97 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 121.18 3.77 . . . . 0.0 121.18 159.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -59.98 -43.93 94.82 Favored 'General case' 0 N--CA 1.51 2.57 1 N-CA-C 122.061 4.096 . . . . 0.0 122.061 162.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.268 8.7 ptt? -61.2 -46.09 91.9 Favored 'General case' 0 CA--C 1.625 3.862 0 N-CA-C 116.334 1.976 . . . . 0.0 116.334 157.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.449 1.0 OUTLIER -56.69 -43.32 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 175.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.17 -56.39 10.85 Favored Pre-proline 0 CA--C 1.599 2.852 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 168.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . 0.364 38.8 Cg_exo -48.04 -40.07 33.43 Favored 'Trans proline' 0 C--N 1.375 1.931 1 N-CA-C 123.688 4.457 . . . . 0.0 123.688 157.613 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.417 50.2 mm -57.62 -54.26 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 118.738 -2.476 . . . . 0.0 111.625 171.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.482 ' HD1' HD21 ' A' ' 103' ' ' LEU . 8.9 t80 -55.23 -33.16 62.88 Favored 'General case' 0 C--O 1.251 1.154 0 N-CA-C 117.934 2.568 . . . . 0.0 117.934 169.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.96 -54.08 14.91 Favored 'General case' 0 CA--C 1.602 2.953 0 C-N-CA 131.222 3.809 . . . . 0.0 116.768 164.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -51.79 -52.6 47.81 Favored 'General case' 0 CA--C 1.592 2.575 0 O-C-N 116.922 -3.612 . . . . 0.0 112.989 169.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -51.34 -46.42 62.66 Favored 'General case' 0 N--CA 1.526 3.374 0 O-C-N 118.446 -2.659 . . . . 0.0 115.529 168.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.09 -50.4 20.02 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 120.193 3.405 . . . . 0.0 120.193 166.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -57.05 -29.7 63.64 Favored 'General case' 0 N--CA 1.514 2.76 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 165.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.298 17.4 ttmt -70.77 -34.1 71.45 Favored 'General case' 0 CA--C 1.593 2.611 0 C-N-CA 130.919 3.688 . . . . 0.0 114.261 172.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.417 ' HB3' ' CG1' ' A' ' 58' ' ' VAL . 6.8 m-85 -133.93 94.67 18.2 Favored Pre-proline 0 CA--C 1.621 3.68 0 C-N-CA 127.871 2.468 . . . . 0.0 105.925 -158.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.3 86.2 Cg_endo -69.52 -33.84 16.64 Favored 'Trans proline' 0 C--O 1.27 2.107 2 N-CA-C 126.079 5.376 . . . . 0.0 126.079 166.455 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.276 17.9 p30 -61.29 -4.39 1.19 Allowed 'General case' 0 CA--C 1.602 2.969 0 C-N-CA 129.05 2.94 . . . . 0.0 115.903 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 55' ' ' PHE . 6.4 p -145.28 108.67 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.587 2.396 0 CA-C-O 123.49 1.614 . . . . 0.0 107.954 -150.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.9 m -68.47 152.46 45.36 Favored 'General case' 0 CA--C 1.594 2.635 0 CA-C-O 125.909 2.766 . . . . 0.0 112.196 166.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -138.5 131.34 29.51 Favored 'General case' 0 CA--C 1.558 1.267 0 CA-C-N 112.679 -2.055 . . . . 0.0 108.126 -169.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.432 0.6 OUTLIER -153.73 160.07 42.18 Favored 'General case' 0 N--CA 1.432 -1.352 0 C-N-CA 125.207 1.403 . . . . 0.0 107.567 -171.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -156.75 122.44 4.79 Favored 'General case' 0 N--CA 1.53 3.565 0 N-CA-C 105.028 -2.212 . . . . 0.0 105.028 -168.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.4 t -102.47 125.86 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.603 0 C-N-CA 130.169 3.388 . . . . 0.0 111.139 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -66.11 102.89 0.87 Allowed 'General case' 0 N--CA 1.522 3.163 1 O-C-N 129.76 4.413 . . . . 0.0 110.633 159.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.282 1.6 p -52.69 -44.8 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.323 0 CA-C-N 113.656 -1.611 . . . . 0.0 113.438 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.361 5.3 m-20 -49.06 -45.52 43.05 Favored 'General case' 0 N--CA 1.517 2.908 0 C-N-CA 125.606 1.562 . . . . 0.0 112.849 170.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.379 34.3 mt-10 -58.43 -40.27 82.04 Favored 'General case' 0 N--CA 1.507 2.424 0 N-CA-C 120.881 3.66 . . . . 0.0 120.881 165.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.5 mt -148.99 54.35 0.98 Allowed 'General case' 0 CA--C 1.579 2.071 0 CA-C-O 123.896 1.808 . . . . 0.0 109.861 -162.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -66.44 -40.97 89.77 Favored 'General case' 0 N--CA 1.49 1.556 1 CA-C-O 109.437 -5.078 . . . . 0.0 118.728 166.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.452 . . -41.79 -65.14 0.48 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 127.644 3.09 . . . . 0.0 117.119 172.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.0 p -59.42 -44.5 92.79 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 O-C-N 127.544 3.028 . . . . 0.0 118.561 165.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 77' ' ' VAL . . . -51.33 -51.61 52.84 Favored 'General case' 1 N--CA 1.549 4.478 1 O-C-N 115.206 -4.684 . . . . 0.0 112.14 177.849 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -57.79 -52.21 66.42 Favored 'General case' 0 N--CA 1.506 2.343 0 CA-C-N 109.118 -3.674 . . . . 0.0 108.526 174.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.549 0.0 OUTLIER -46.79 -53.89 10.97 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-N 123.446 2.839 . . . . 0.0 116.234 174.064 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -51.48 -52.43 46.66 Favored 'General case' 0 CA--C 1.581 2.156 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 173.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.28 26.0 t-20 151.15 97.69 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.919 0 O-C-N 127.615 3.072 . . . . 0.0 102.752 157.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 72' ' ' ALA . 15.7 t -154.38 76.16 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.511 2.615 1 N-CA-C 99.346 -4.316 . . . . 0.0 99.346 -173.369 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.299 0.9 OUTLIER -68.62 -10.45 56.11 Favored 'General case' 0 CA--C 1.614 3.408 0 C-N-CA 126.76 2.024 . . . . 0.0 116.105 147.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.0 140.11 22.08 Favored 'General case' 1 CA--C 1.649 4.769 0 CA-C-O 127.648 3.594 . . . . 0.0 110.19 -162.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.528 ' SD ' ' HA ' ' A' ' 34' ' ' THR . 31.9 mmt -78.02 115.44 50.53 Favored Pre-proline 1 N--CA 1.593 6.725 0 O-C-N 118.575 -2.578 . . . . 0.0 111.419 164.623 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 80' ' ' MET 0.447 35.0 Cg_endo -154.25 142.75 0.0 OUTLIER 'Cis proline' 2 C--N 1.46 6.438 2 CA-C-O 136.051 6.605 . . . . 0.0 105.273 1.263 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 96' ' ' VAL . 18.8 m -110.05 112.99 25.34 Favored 'General case' 2 N--CA 1.56 5.047 1 CA-C-N 102.61 -6.632 . . . . 0.0 107.385 -152.975 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.421 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 44.6 m-85 -87.81 120.24 28.94 Favored 'General case' 0 CA--C 1.563 1.472 0 C-N-CA 129.031 2.932 . . . . 0.0 112.672 163.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 30' ' ' VAL 0.476 1.7 mt -107.41 153.92 8.56 Favored 'Isoleucine or valine' 0 C--O 1.296 3.546 1 C-N-CA 132.0 4.12 . . . . 0.0 111.703 177.326 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -135.28 107.56 7.26 Favored 'General case' 0 N--CA 1.484 1.242 1 CA-C-N 108.01 -4.177 . . . . 0.0 111.845 -167.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.13 124.93 16.97 Favored 'General case' 0 N--CA 1.405 -2.707 0 N-CA-C 100.939 -3.726 . . . . 0.0 100.939 -167.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -125.94 178.31 5.82 Favored 'General case' 0 CA--C 1.577 1.981 0 CA-C-N 110.462 -3.063 . . . . 0.0 107.132 -168.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -62.86 49.01 0.01 OUTLIER 'General case' 0 CA--C 1.629 4.0 0 N-CA-C 118.121 2.637 . . . . 0.0 118.121 158.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.12 59.92 0.06 OUTLIER Glycine 0 C--N 1.289 -2.037 0 C-N-CA 128.34 2.876 . . . . 0.0 116.217 168.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.535 ' HG2' ' H ' ' A' ' 91' ' ' LEU 0.422 39.3 ttmt 56.18 -167.11 0.11 Allowed 'General case' 0 CA--C 1.602 2.973 0 N-CA-C 119.786 3.254 . . . . 0.0 119.786 -172.013 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.535 ' H ' ' HG2' ' A' ' 90' ' ' LYS . 43.4 tp -56.22 101.25 0.05 Allowed 'General case' 0 N--CA 1.512 2.64 0 CA-C-O 123.612 1.673 . . . . 0.0 112.578 167.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.459 27.6 m -69.41 -51.41 42.62 Favored 'Isoleucine or valine' 0 C--N 1.393 2.484 0 N-CA-C 117.988 2.588 . . . . 0.0 117.988 167.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -152.26 162.09 41.65 Favored 'General case' 0 CA--C 1.575 1.905 0 CA-C-O 122.942 1.354 . . . . 0.0 112.974 -169.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.47 135.29 21.14 Favored 'General case' 0 CA--C 1.592 2.583 0 CA-C-N 109.6 -3.455 . . . . 0.0 111.072 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.1 m -164.67 138.33 5.04 Favored 'General case' 0 CA--C 1.585 2.31 0 C-N-CA 130.584 3.554 . . . . 0.0 107.27 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -139.42 105.48 2.4 Favored 'Isoleucine or valine' 0 C--O 1.269 2.085 1 N-CA-C 98.885 -4.487 . . . . 0.0 98.885 -162.779 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 167.94 118.61 0.45 Allowed Glycine 0 C--O 1.179 -3.325 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 166.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . 0.298 . . -60.83 115.41 3.66 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 125.293 1.437 . . . . 0.0 113.058 163.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -159.62 120.37 3.13 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 -175.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.466 46.0 pttt -45.41 -62.52 1.24 Allowed 'General case' 0 CA--C 1.587 2.394 1 N-CA-C 121.888 4.033 . . . . 0.0 121.888 176.066 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -65.38 -35.38 80.79 Favored 'General case' 0 N--CA 1.539 3.997 0 C-N-CA 126.775 2.03 . . . . 0.0 115.009 164.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -42.38 -69.21 0.62 Allowed Glycine 0 N--CA 1.496 2.637 0 N-CA-C 119.191 2.436 . . . . 0.0 119.191 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.482 HD21 ' HD1' ' A' ' 48' ' ' PHE 0.397 41.8 tp -44.53 -66.08 0.52 Allowed Pre-proline 0 CA--C 1.599 2.864 0 O-C-N 128.464 3.097 . . . . 0.0 111.45 172.297 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -43.21 -44.25 9.99 Favored 'Trans proline' 0 C--N 1.388 2.631 0 N-CA-C 120.465 3.217 . . . . 0.0 120.465 172.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.84 -57.76 10.71 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 124.991 1.432 . . . . 0.0 112.365 167.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.27 23.8 tp -47.2 -58.8 3.67 Favored 'General case' 0 CA--C 1.482 -1.641 0 C-N-CA 129.402 3.081 . . . . 0.0 116.57 177.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.46 -56.36 12.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.429 0 CA-C-O 115.215 -2.326 . . . . 0.0 112.918 167.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -39.45 -50.83 2.14 Favored 'General case' 0 N--CA 1.504 2.26 1 N-CA-C 123.524 4.638 . . . . 0.0 123.524 169.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -55.59 -57.26 12.67 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 167.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.483 59.9 m-70 -56.48 -57.78 10.85 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 120.685 3.587 . . . . 0.0 120.685 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.86 -43.62 90.84 Favored 'General case' 0 CA--C 1.604 3.056 0 CA-C-O 115.358 -2.258 . . . . 0.0 115.673 168.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 29.7 m -47.91 -52.43 19.44 Favored 'General case' 2 N--CA 1.547 4.404 0 CA-C-N 122.731 2.514 . . . . 0.0 116.461 160.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.196 -1.723 0 C-N-CA 131.579 3.952 . . . . 0.0 108.62 174.798 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.231 0 CA-C-O 125.522 2.582 . . . . 0.0 106.423 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -151.81 112.93 4.27 Favored 'General case' 0 C--O 1.254 1.313 0 CA-C-N 112.466 -2.152 . . . . 0.0 109.042 -171.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -157.1 165.9 34.76 Favored 'General case' 0 CA--C 1.584 2.255 0 CA-C-O 122.19 0.995 . . . . 0.0 113.61 -166.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.38 164.33 50.66 Favored Glycine 0 C--N 1.367 2.294 0 CA-C-N 113.184 -1.826 . . . . 0.0 114.386 159.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -150.17 125.39 10.06 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 104.497 -2.408 . . . . 0.0 104.497 -173.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.2 t -88.98 125.39 42.04 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.43 0 C-N-CA 130.027 3.331 . . . . 0.0 114.086 164.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.41 126.97 62.0 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.937 0 C-N-CA 128.449 2.7 . . . . 0.0 111.313 -175.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.55 134.04 50.54 Favored 'General case' 0 CA--C 1.57 1.714 0 C-N-CA 128.675 2.79 . . . . 0.0 117.674 168.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.489 ' SG ' HD13 ' A' ' 61' ' ' LEU . 87.1 m -135.77 134.63 39.19 Favored 'General case' 0 N--CA 1.516 2.874 0 N-CA-C 104.677 -2.342 . . . . 0.0 104.677 -157.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -150.28 -20.91 0.24 Allowed 'General case' 0 N--CA 1.52 3.065 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -158.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.5 p -149.62 -168.38 3.09 Favored 'General case' 0 CA--C 1.584 2.278 0 CA-C-O 124.715 2.197 . . . . 0.0 106.921 -159.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 15' ' ' TRP . 5.6 p -52.08 -20.65 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.594 2.668 1 N-CA-C 121.815 4.006 . . . . 0.0 121.815 154.116 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.43 -47.08 69.96 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 172.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.463 0.6 OUTLIER -49.45 -45.45 46.64 Favored 'General case' 0 CA--C 1.595 2.686 0 N-CA-C 118.946 2.943 . . . . 0.0 118.946 159.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.439 ' HB2' ' O ' ' A' ' 12' ' ' VAL . 12.9 m95 -46.22 -49.48 17.07 Favored 'General case' 0 C--O 1.26 1.63 0 N-CA-C 116.773 2.138 . . . . 0.0 116.773 170.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -52.01 -64.36 0.84 Allowed 'General case' 0 N--CA 1.502 2.13 0 CA-C-N 114.347 -1.297 . . . . 0.0 113.776 159.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -49.84 -64.13 0.9 Allowed 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 128.375 2.67 . . . . 0.0 117.806 -177.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -50.43 -55.89 13.85 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 116.31 1.967 . . . . 0.0 116.31 173.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -58.77 -58.43 8.62 Favored 'General case' 0 CA--C 1.602 2.953 0 N-CA-C 119.441 3.126 . . . . 0.0 119.441 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -62.26 -61.46 2.44 Favored 'General case' 0 C--O 1.271 2.215 0 C-N-CA 127.306 2.242 . . . . 0.0 114.763 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.274 31.7 mmtp -48.38 -60.0 3.02 Favored 'General case' 1 N--CA 1.542 4.142 0 CA-C-N 122.541 2.428 . . . . 0.0 113.972 168.226 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -40.46 -81.83 0.02 OUTLIER Glycine 0 C--N 1.369 2.416 0 N-CA-C 121.258 3.263 . . . . 0.0 121.258 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -79.05 100.51 7.38 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 123.825 1.774 . . . . 0.0 112.826 154.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.29 -49.24 0.48 Allowed Glycine 0 N--CA 1.505 3.285 0 CA-C-N 110.248 -3.16 . . . . 0.0 114.487 159.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.4 m -92.85 132.02 37.37 Favored 'General case' 0 N--CA 1.512 2.645 0 N-CA-C 104.779 -2.304 . . . . 0.0 104.779 172.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -64.03 76.33 0.03 OUTLIER 'General case' 0 CA--C 1.576 1.948 1 CA-C-O 130.024 4.726 . . . . 0.0 113.774 172.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -154.22 156.5 37.21 Favored 'General case' 0 N--CA 1.534 3.754 0 O-C-N 117.977 -2.952 . . . . 0.0 114.551 -178.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.272 54.3 tp -83.28 147.68 27.82 Favored 'General case' 0 CA--C 1.601 2.914 0 CA-C-O 125.809 2.718 . . . . 0.0 110.746 164.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.599 HG22 ' HB ' ' A' ' 59' ' ' THR . 3.9 pt -146.91 133.29 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.747 0 O-C-N 117.879 -3.013 . . . . 0.0 104.998 -178.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.9 t -141.03 129.91 24.33 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.752 0 N-CA-C 103.589 -2.745 . . . . 0.0 103.589 -168.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.281 2.5 p -139.84 112.35 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.948 0 CA-C-O 126.604 3.097 . . . . 0.0 104.673 -160.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -70.53 130.48 41.96 Favored 'General case' 0 CA--C 1.614 3.44 0 O-C-N 118.591 -2.568 . . . . 0.0 114.051 153.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -114.47 111.96 22.24 Favored 'General case' 1 C--O 1.333 5.468 1 C-N-CA 135.342 5.457 . . . . 0.0 104.745 175.571 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -160.99 145.97 14.04 Favored 'General case' 0 N--CA 1.517 2.897 0 N-CA-C 101.547 -3.501 . . . . 0.0 101.547 -166.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.257 . . -80.03 158.92 26.38 Favored 'General case' 0 C--O 1.209 -1.063 1 CA-C-N 108.253 -4.067 . . . . 0.0 108.662 165.33 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.334 22.3 t -59.85 -43.01 94.88 Favored 'General case' 0 N--CA 1.518 2.93 0 O-C-N 117.513 -3.242 . . . . 0.0 116.28 166.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 24.8 p-90 -69.47 69.73 0.26 Allowed 'General case' 0 CA--C 1.567 1.623 0 N-CA-C 117.734 2.494 . . . . 0.0 117.734 162.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 54.0 t -156.63 82.46 3.35 Favored Pre-proline 0 CA--C 1.596 2.747 0 CA-C-N 112.88 -1.964 . . . . 0.0 110.664 -175.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -51.93 -41.2 64.83 Favored 'Trans proline' 0 CA--C 1.585 3.049 0 C-N-CA 125.007 3.805 . . . . 0.0 120.635 168.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -49.86 -44.56 36.16 Favored 'Trans proline' 0 CA--C 1.554 1.504 1 C-N-CA 126.128 4.552 . . . . 0.0 119.294 161.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.417 ' SG ' ' HG2' ' A' ' 81' ' ' PRO 0.328 56.5 m -77.24 -22.39 52.28 Favored 'General case' 0 C--O 1.189 -2.113 1 N-CA-C 122.031 4.086 . . . . 0.0 122.031 163.521 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.4 tttp -58.78 -43.31 90.41 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 123.492 2.86 . . . . 0.0 114.858 159.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.318 25.0 ptt? -61.95 -37.65 85.54 Favored 'General case' 0 C--N 1.387 2.225 1 N-CA-C 121.861 4.023 . . . . 0.0 121.861 153.084 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.406 1.0 OUTLIER -60.2 -31.75 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.325 0 N-CA-C 119.5 3.148 . . . . 0.0 119.5 169.145 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.41 ' HB3' ' HD3' ' A' ' 46' ' ' PRO 0.305 . . -49.15 -59.25 6.78 Favored Pre-proline 0 C--O 1.181 -2.515 0 O-C-N 125.774 1.922 . . . . 0.0 115.606 167.051 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HD3' ' HB3' ' A' ' 45' ' ' ALA . 52.3 Cg_exo -52.55 -40.01 73.54 Favored 'Trans proline' 0 N--CA 1.518 2.965 2 N-CA-C 124.163 4.64 . . . . 0.0 124.163 158.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.287 40.6 mm -52.04 -56.55 5.89 Favored 'Isoleucine or valine' 0 C--N 1.387 2.208 0 O-C-N 118.9 -2.375 . . . . 0.0 114.999 165.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -46.46 -44.2 17.27 Favored 'General case' 0 CA--C 1.572 1.811 0 C-N-CA 126.5 1.92 . . . . 0.0 115.879 168.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.65 -52.11 62.18 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 118.673 2.842 . . . . 0.0 118.673 165.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.349 36.5 tt0 -51.88 -60.31 3.33 Favored 'General case' 0 N--CA 1.526 3.329 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 168.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.43 HD22 ' HD2' ' A' ' 55' ' ' PHE . 1.4 tm? -49.2 -51.9 30.09 Favored 'General case' 0 CA--C 1.6 2.884 0 C-N-CA 126.215 1.806 . . . . 0.0 113.58 169.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.41 -48.65 37.01 Favored 'General case' 0 CA--C 1.566 1.559 0 CA-C-N 120.126 1.33 . . . . 0.0 113.361 172.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -53.66 -48.24 69.62 Favored 'General case' 0 CA--C 1.598 2.805 0 CA-C-O 116.148 -1.882 . . . . 0.0 113.664 169.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -56.47 -25.34 50.71 Favored 'General case' 0 N--CA 1.511 2.58 0 C-N-CA 129.174 2.99 . . . . 0.0 112.846 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.43 ' HD2' HD22 ' A' ' 51' ' ' LEU . 6.5 m-85 -136.7 100.38 10.06 Favored Pre-proline 1 CA--C 1.636 4.262 0 C-N-CA 129.521 3.128 . . . . 0.0 106.562 -161.086 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.286 26.1 Cg_endo -81.94 -27.97 2.27 Favored 'Trans proline' 0 CA--C 1.552 1.42 2 C-N-CA 131.32 8.013 . . . . 0.0 125.385 176.571 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.442 10.1 p30 -61.89 3.64 0.15 Allowed 'General case' 1 N--CA 1.547 4.377 0 C-N-CA 127.527 2.331 . . . . 0.0 117.014 175.878 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.273 6.2 p -145.85 116.23 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 124.693 1.246 . . . . 0.0 109.497 -149.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.599 ' HB ' HG22 ' A' ' 29' ' ' ILE . 84.1 m -71.08 157.2 38.6 Favored 'General case' 0 CA--C 1.585 2.317 0 CA-C-O 125.807 2.717 . . . . 0.0 109.921 166.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -144.31 136.82 26.71 Favored 'General case' 0 N--CA 1.509 2.492 0 C-N-CA 127.958 2.503 . . . . 0.0 108.476 -176.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.489 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.259 0.9 OUTLIER -157.03 156.59 33.16 Favored 'General case' 0 CA--C 1.581 2.16 0 CA-C-N 111.706 -2.497 . . . . 0.0 109.726 -173.961 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.359 42.3 pttt -143.81 108.48 4.88 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 -160.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.56 125.24 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 128.143 2.577 . . . . 0.0 108.033 175.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -78.35 90.74 4.4 Favored 'General case' 0 C--O 1.257 1.45 0 CA-C-N 110.681 -2.963 . . . . 0.0 103.959 164.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -43.94 -42.17 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.6 2.902 0 N-CA-C 121.008 3.707 . . . . 0.0 121.008 168.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.68 -44.52 37.96 Favored 'General case' 1 CA--C 1.636 4.279 0 CA-C-O 122.547 1.165 . . . . 0.0 113.763 173.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.312 0.3 OUTLIER -62.15 -39.07 91.38 Favored 'General case' 0 CA--C 1.588 2.426 0 N-CA-C 118.204 2.668 . . . . 0.0 118.204 161.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.5 mt -143.03 56.83 1.4 Allowed 'General case' 1 CA--C 1.636 4.285 0 CA-C-O 125.91 2.767 . . . . 0.0 114.879 -159.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.37 33.1 pttt -68.94 -52.13 32.45 Favored 'General case' 0 C--O 1.189 -2.095 0 CA-C-N 110.044 -3.253 . . . . 0.0 116.244 172.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.277 . . -49.16 -66.72 0.35 Allowed 'General case' 0 N--CA 1.531 3.599 0 O-C-N 126.833 2.583 . . . . 0.0 117.754 175.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.45 HG22 ' NE1' ' A' ' 75' ' ' TRP . 9.9 p -60.54 -42.98 93.43 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.907 0 CA-C-O 112.553 -3.594 . . . . 0.0 118.846 163.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . 0.28 . . -40.17 -58.42 1.48 Allowed 'General case' 0 CA--C 1.577 2.001 0 CA-C-N 124.071 3.123 . . . . 0.0 114.447 162.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . 0.315 51.7 mt-10 -48.28 -52.64 20.43 Favored 'General case' 0 N--CA 1.529 3.479 0 O-C-N 127.347 2.904 . . . . 0.0 115.651 173.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.384 0.0 OUTLIER -45.47 -51.39 11.67 Favored 'General case' 0 CA--C 1.583 2.218 0 N-CA-C 120.519 3.526 . . . . 0.0 120.519 170.106 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.45 ' NE1' HG22 ' A' ' 71' ' ' VAL . 50.1 m95 -61.5 -45.75 92.89 Favored 'General case' 0 N--CA 1.531 3.588 1 O-C-N 114.481 -5.137 . . . . 0.0 112.334 168.649 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.404 10.5 t30 151.29 81.72 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.529 1 O-C-N 129.651 4.345 . . . . 0.0 104.529 148.397 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 t -143.47 74.47 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.536 3.863 0 O-C-N 118.46 -2.65 . . . . 0.0 110.299 -173.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.405 1.9 pp20? -68.47 -1.29 6.26 Favored 'General case' 0 N--CA 1.522 3.127 0 N-CA-C 120.924 3.676 . . . . 0.0 120.924 138.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.19 123.74 7.82 Favored 'General case' 0 C--N 1.41 3.209 0 O-C-N 116.307 -3.996 . . . . 0.0 113.959 -164.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.43 ' N ' ' SD ' ' A' ' 80' ' ' MET 0.368 0.0 OUTLIER -65.81 114.97 18.46 Favored Pre-proline 0 N--CA 1.528 3.434 0 CA-C-N 111.26 -2.7 . . . . 0.0 106.52 159.981 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.417 ' HG2' ' SG ' ' A' ' 41' ' ' CYS . 80.8 Cg_endo -159.0 147.13 0.0 OUTLIER 'Cis proline' 1 C--N 1.425 4.594 0 CA-C-O 129.522 3.884 . . . . 0.0 117.917 -1.229 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.2 m -120.92 128.45 52.78 Favored 'General case' 0 CA--C 1.587 2.386 1 CA-C-N 106.859 -4.7 . . . . 0.0 107.982 -144.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -120.88 117.11 26.52 Favored 'General case' 0 C--O 1.286 3.011 2 O-C-N 134.18 7.175 . . . . 0.0 105.572 -177.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.3 mt -129.71 141.44 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.356 0 CA-C-O 126.704 3.145 . . . . 0.0 104.997 -163.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -131.67 112.83 12.9 Favored 'General case' 0 C--O 1.262 1.713 1 CA-C-N 107.134 -4.575 . . . . 0.0 103.045 -154.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.3 125.98 15.11 Favored 'General case' 0 C--N 1.414 3.405 0 CA-C-N 110.089 -3.232 . . . . 0.0 103.088 -166.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -130.42 178.15 6.82 Favored 'General case' 0 CA--C 1.592 2.573 0 CA-C-N 110.189 -3.187 . . . . 0.0 106.878 -169.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.361 4.1 p-10 -60.53 56.3 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.794 0 O-C-N 126.762 2.538 . . . . 0.0 115.536 164.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 170.11 45.06 0.03 OUTLIER Glycine 0 CA--C 1.577 3.951 0 CA-C-O 123.111 1.395 . . . . 0.0 116.494 169.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.465 ' HG3' ' H ' ' A' ' 91' ' ' LEU 0.471 0.1 OUTLIER 68.86 -167.79 0.18 Allowed 'General case' 0 N--CA 1.53 3.532 0 C-N-CA 127.932 2.493 . . . . 0.0 114.131 -173.372 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.465 ' H ' ' HG3' ' A' ' 90' ' ' LYS 0.328 12.2 tp -51.43 107.24 0.17 Allowed 'General case' 0 N--CA 1.5 2.033 0 C-N-CA 128.682 2.793 . . . . 0.0 112.055 171.427 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.251 27.4 m -84.88 -38.64 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.954 0 C-N-CA 128.306 2.642 . . . . 0.0 115.023 167.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.96 163.92 16.06 Favored 'General case' 0 N--CA 1.505 2.317 0 CA-C-N 123.525 2.875 . . . . 0.0 115.269 -174.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -155.94 131.64 9.72 Favored 'General case' 0 N--CA 1.421 -1.907 0 C-N-CA 127.288 2.235 . . . . 0.0 110.525 -176.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . 0.303 33.4 m -140.79 149.86 42.6 Favored 'General case' 0 N--CA 1.418 -2.048 1 N-CA-C 99.538 -4.245 . . . . 0.0 99.538 -170.569 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 p -150.21 97.76 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.263 1.772 0 CA-C-N 112.907 -1.951 . . . . 0.0 106.063 -176.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -171.22 -168.1 32.42 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 105.628 -2.989 . . . . 0.0 105.628 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -161.97 105.7 1.2 Allowed 'General case' 0 N--CA 1.528 3.427 0 N-CA-C 104.718 -2.327 . . . . 0.0 104.718 -174.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -151.49 125.61 9.26 Favored 'General case' 0 CA--C 1.576 1.966 0 CA-C-N 113.646 -1.616 . . . . 0.0 108.03 -171.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.478 51.8 pttt -49.16 -60.36 2.86 Favored 'General case' 0 N--CA 1.491 1.592 1 N-CA-C 124.301 4.926 . . . . 0.0 124.301 167.664 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.89 -39.68 61.36 Favored 'General case' 0 N--CA 1.526 3.34 0 C-N-CA 127.351 2.261 . . . . 0.0 115.318 167.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -44.7 -60.08 3.98 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 121.341 3.296 . . . . 0.0 121.341 173.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.6 tp -53.72 -60.36 7.38 Favored Pre-proline 0 CA--C 1.593 2.632 0 CA-C-O 115.521 -2.181 . . . . 0.0 115.299 172.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -43.14 -37.08 6.4 Favored 'Trans proline' 1 CA--C 1.642 5.916 0 C-N-CA 124.818 3.678 . . . . 0.0 121.431 159.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 92.5 m -64.86 -58.86 5.05 Favored 'General case' 0 N--CA 1.506 2.365 0 CA-C-O 114.605 -2.617 . . . . 0.0 110.035 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.2 tp -49.41 -50.08 42.08 Favored 'General case' 0 CA--C 1.585 2.289 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 169.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.297 93.2 t -63.27 -40.3 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.01 0 C-N-CA 125.739 1.615 . . . . 0.0 111.841 177.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.24 77.94 Favored 'General case' 0 C--N 1.387 2.199 0 O-C-N 118.469 -2.644 . . . . 0.0 113.702 165.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -59.88 -41.31 91.29 Favored 'General case' 0 CA--C 1.609 3.223 0 N-CA-C 117.357 2.355 . . . . 0.0 117.357 167.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -62.38 -62.72 1.56 Allowed 'General case' 0 N--CA 1.507 2.421 0 N-CA-C 117.528 2.418 . . . . 0.0 117.528 164.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.1 -47.45 68.57 Favored 'General case' 0 N--CA 1.531 3.581 0 C-N-CA 128.476 2.711 . . . . 0.0 116.678 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.298 1.8 m -59.96 -63.8 1.17 Allowed 'General case' 0 C--N 1.351 0.631 0 N-CA-C 116.053 1.872 . . . . 0.0 116.053 156.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.563 1.472 0 C-N-CA 125.721 1.608 . . . . 0.0 115.221 -168.471 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.86 0 N-CA-C 105.26 -2.126 . . . . 0.0 105.26 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -127.4 80.8 1.98 Allowed 'General case' 0 CA--C 1.602 2.971 0 C-N-CA 128.818 2.847 . . . . 0.0 108.296 -175.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.25 16.3 pt-20 -150.09 156.07 41.0 Favored 'General case' 0 C--O 1.267 1.99 0 O-C-N 125.468 1.73 . . . . 0.0 111.019 -167.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.17 172.21 50.16 Favored Glycine 0 CA--C 1.569 3.412 0 O-C-N 120.534 -1.354 . . . . 0.0 115.096 162.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -160.43 135.14 7.58 Favored 'General case' 0 CA--C 1.569 1.698 0 CA-C-N 119.66 1.73 . . . . 0.0 107.853 -169.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.0 t -90.96 121.88 41.79 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.123 0 N-CA-C 102.364 -3.199 . . . . 0.0 102.364 176.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.296 0.3 OUTLIER -115.61 125.1 72.68 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.732 0 N-CA-C 102.171 -3.27 . . . . 0.0 102.171 -176.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.77 136.67 57.61 Favored 'General case' 0 N--CA 1.516 2.862 0 CA-C-N 109.989 -3.278 . . . . 0.0 115.007 165.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.5 m -144.06 142.04 30.42 Favored 'General case' 0 CA--C 1.597 2.777 0 C-N-CA 128.146 2.578 . . . . 0.0 112.488 -171.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -151.87 -16.27 0.19 Allowed 'General case' 0 CA--C 1.598 2.821 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 -169.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.72 -171.28 3.77 Favored 'General case' 0 N--CA 1.532 3.635 0 O-C-N 118.981 -2.324 . . . . 0.0 111.468 -160.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.33 9.8 p -53.26 -33.47 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.658 0 CA-C-N 114.03 -1.441 . . . . 0.0 112.992 164.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -44.17 -56.59 3.97 Favored 'General case' 0 CA--C 1.575 1.915 0 O-C-N 118.64 -2.537 . . . . 0.0 114.907 170.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.05 -39.88 9.86 Favored 'General case' 2 N--CA 1.559 5.01 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 162.021 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -52.71 -43.71 65.85 Favored 'General case' 0 N--CA 1.533 3.689 0 CA-C-O 118.031 -0.985 . . . . 0.0 113.567 168.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -62.11 -53.45 55.19 Favored 'General case' 0 CA--C 1.583 2.224 0 N-CA-C 117.722 2.489 . . . . 0.0 117.722 162.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.311 38.0 mt-10 -51.62 -62.66 1.49 Allowed 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 128.082 2.553 . . . . 0.0 115.67 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -52.42 -61.65 2.14 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 117.295 2.332 . . . . 0.0 117.295 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -52.61 -61.96 1.95 Allowed 'General case' 0 CA--C 1.61 3.282 0 N-CA-C 117.463 2.394 . . . . 0.0 117.463 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.325 3.7 mm-40 -62.98 -46.58 87.0 Favored 'General case' 0 CA--C 1.579 2.092 0 N-CA-C 116.388 1.995 . . . . 0.0 116.388 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.288 5.5 mmtp -50.31 -66.57 0.37 Allowed 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 115.036 -2.411 . . . . 0.0 115.063 168.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.93 -94.84 0.01 OUTLIER Glycine 0 CA--C 1.555 2.558 0 N-CA-C 119.237 2.455 . . . . 0.0 119.237 165.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.387 2.3 ttmm -62.36 88.7 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 O-C-N 119.561 -2.141 . . . . 0.0 114.04 158.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.77 -49.77 0.34 Allowed Glycine 0 CA--C 1.554 2.525 0 CA-C-O 126.456 3.253 . . . . 0.0 111.369 163.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.6 m -92.75 123.31 35.94 Favored 'General case' 0 CA--C 1.566 1.582 0 C-N-CA 128.996 2.919 . . . . 0.0 105.742 -176.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -60.54 82.23 0.01 OUTLIER 'General case' 0 N--CA 1.531 3.617 0 CA-C-O 125.259 2.457 . . . . 0.0 108.249 170.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -169.96 163.36 9.46 Favored 'General case' 0 CA--C 1.583 2.23 0 CA-C-N 112.36 -2.2 . . . . 0.0 111.078 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.7 tp -84.4 155.0 22.49 Favored 'General case' 0 CA--C 1.6 2.892 0 C-N-CA 128.81 2.844 . . . . 0.0 107.433 166.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.436 HG22 ' HB ' ' A' ' 59' ' ' THR . 1.3 pt -146.61 139.57 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.363 1 N-CA-C 98.639 -4.578 . . . . 0.0 98.639 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.3 t -146.2 125.08 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 CA-C-N 112.672 -2.058 . . . . 0.0 108.308 -169.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.61 113.32 3.69 Favored 'Isoleucine or valine' 0 C--N 1.365 1.242 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.489 -154.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -70.12 149.17 47.87 Favored 'General case' 0 CA--C 1.556 1.181 1 CA-C-O 128.95 4.214 . . . . 0.0 116.004 160.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -137.06 107.89 6.64 Favored 'General case' 0 CA--C 1.584 2.288 1 N-CA-C 97.519 -4.993 . . . . 0.0 97.519 -175.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 t -156.03 146.72 21.95 Favored 'General case' 0 CA--C 1.594 2.659 0 N-CA-C 103.547 -2.76 . . . . 0.0 103.547 -169.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.84 130.37 34.9 Favored 'General case' 0 C--O 1.277 2.546 0 CA-C-N 110.195 -3.184 . . . . 0.0 108.196 169.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 t -43.55 -46.65 7.13 Favored 'General case' 1 CA--C 1.64 4.44 0 O-C-N 128.152 3.407 . . . . 0.0 117.64 172.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.9 p-90 -61.39 75.43 0.01 OUTLIER 'General case' 0 N--CA 1.534 3.76 0 O-C-N 120.534 -1.354 . . . . 0.0 113.67 161.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 42.1 t -163.95 84.44 1.28 Allowed Pre-proline 0 N--CA 1.514 2.754 0 O-C-N 120.578 -1.326 . . . . 0.0 109.469 -176.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.38 27.2 Cg_exo -50.07 -46.53 27.81 Favored 'Trans proline' 0 CA--C 1.59 3.287 0 C-N-CA 124.785 3.657 . . . . 0.0 118.388 169.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -46.28 -53.0 6.44 Favored 'Trans proline' 0 N--CA 1.496 1.628 1 C-N-CA 126.706 4.937 . . . . 0.0 116.687 167.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 51.8 m -66.21 -22.48 66.34 Favored 'General case' 0 C--O 1.282 2.802 0 N-CA-C 117.88 2.548 . . . . 0.0 117.88 165.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.339 42.8 tttp -60.57 -40.21 90.87 Favored 'General case' 0 N--CA 1.529 3.511 0 CA-C-O 125.203 2.43 . . . . 0.0 111.489 166.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.488 13.5 ptt? -66.74 -53.6 31.64 Favored 'General case' 0 CA--C 1.614 3.441 1 O-C-N 115.871 -4.268 . . . . 0.0 116.94 159.98 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.362 1.0 OUTLIER -47.98 -33.26 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.764 0 N-CA-C 120.094 3.368 . . . . 0.0 120.094 172.406 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.33 -49.87 91.17 Favored Pre-proline 0 CA--C 1.587 2.397 0 CA-C-O 113.986 -2.911 . . . . 0.0 118.166 167.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -50.26 -42.9 45.82 Favored 'Trans proline' 0 CA--C 1.601 3.859 0 N-CA-C 121.543 3.632 . . . . 0.0 121.543 155.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.372 35.7 mm -56.1 -49.91 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.29 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 171.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.34 65.9 t80 -54.35 -41.75 69.46 Favored 'General case' 0 CA--C 1.614 3.422 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 165.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.02 -47.89 75.86 Favored 'General case' 0 N--CA 1.515 2.807 0 N-CA-C 118.777 2.88 . . . . 0.0 118.777 168.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.31 -54.16 48.72 Favored 'General case' 0 N--CA 1.53 3.531 0 N-CA-C 116.34 1.978 . . . . 0.0 116.34 161.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.301 1.7 tm? -46.43 -47.79 18.94 Favored 'General case' 1 CA--C 1.63 4.057 0 N-CA-C 118.091 2.626 . . . . 0.0 118.091 163.277 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.28 -49.78 32.4 Favored 'General case' 0 N--CA 1.508 2.46 0 CA-C-N 119.89 1.223 . . . . 0.0 114.229 167.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -56.35 -46.31 80.05 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 172.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -54.43 -36.12 63.69 Favored 'General case' 0 N--CA 1.517 2.915 0 C-N-CA 127.125 2.17 . . . . 0.0 114.862 171.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -134.69 101.36 11.84 Favored Pre-proline 0 N--CA 1.499 2.006 0 O-C-N 126.179 2.175 . . . . 0.0 110.09 -156.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -82.43 -20.85 5.63 Favored 'Trans proline' 0 CA--C 1.6 3.777 1 C-N-CA 126.263 4.642 . . . . 0.0 117.846 172.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -57.49 0.03 0.06 Allowed 'General case' 1 C--O 1.316 4.567 1 O-C-N 115.601 -4.437 . . . . 0.0 118.721 173.674 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 p -149.51 119.92 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.95 0 O-C-N 127.537 3.023 . . . . 0.0 110.742 -154.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.436 ' HB ' HG22 ' A' ' 29' ' ' ILE . 42.7 m -75.37 158.3 32.96 Favored 'General case' 0 N--CA 1.501 2.075 0 C-N-CA 128.347 2.659 . . . . 0.0 109.807 167.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -149.15 136.97 20.5 Favored 'General case' 0 C--N 1.389 2.305 0 CA-C-O 125.647 2.642 . . . . 0.0 106.933 -169.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.282 0.6 OUTLIER -153.38 154.98 35.54 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 109.655 -3.429 . . . . 0.0 111.857 -175.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -144.91 116.58 8.16 Favored 'General case' 0 CA--C 1.598 2.826 0 CA-C-O 127.364 3.459 . . . . 0.0 105.724 -171.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.3 t -82.46 125.19 39.86 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.833 0 CA-C-N 110.666 -2.97 . . . . 0.0 111.603 170.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.41 104.0 0.46 Allowed 'General case' 0 CA--C 1.59 2.496 0 O-C-N 125.609 1.818 . . . . 0.0 112.6 152.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.08 -47.56 66.05 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.096 0 N-CA-C 118.279 2.696 . . . . 0.0 118.279 173.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.275 23.8 m-20 -38.88 -53.38 1.72 Allowed 'General case' 1 N--CA 1.569 5.52 0 O-C-N 119.252 -2.155 . . . . 0.0 112.104 171.812 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.8 -32.61 74.24 Favored 'General case' 0 CA--C 1.607 3.164 0 C-N-CA 129.935 3.294 . . . . 0.0 112.759 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.8 mt -148.69 57.21 1.04 Allowed 'General case' 0 N--CA 1.496 1.83 2 O-C-N 115.723 -4.361 . . . . 0.0 109.802 -169.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -72.53 -45.22 60.34 Favored 'General case' 0 C--O 1.265 1.869 0 C-N-CA 130.749 3.619 . . . . 0.0 118.14 174.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.02 -52.13 66.5 Favored 'General case' 1 N--CA 1.544 4.269 0 C-N-CA 127.065 2.146 . . . . 0.0 114.019 172.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.271 7.1 p -61.12 -50.08 82.0 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.444 0 N-CA-C 121.217 3.784 . . . . 0.0 121.217 170.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.02 -51.4 24.21 Favored 'General case' 0 CA--C 1.586 2.328 0 CA-C-O 124.601 2.143 . . . . 0.0 116.135 167.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -55.22 -50.73 68.67 Favored 'General case' 0 C--N 1.389 2.297 0 CA-C-O 114.17 -2.824 . . . . 0.0 110.313 167.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.617 3.0 pt-20 -41.67 -55.52 2.93 Favored 'General case' 0 N--CA 1.532 3.628 0 N-CA-C 121.776 3.991 . . . . 0.0 121.776 167.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -57.1 -47.85 80.07 Favored 'General case' 0 N--CA 1.522 3.135 0 N-CA-C 117.648 2.462 . . . . 0.0 117.648 166.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.298 13.1 t30 149.69 83.98 0.0 OUTLIER 'General case' 0 N--CA 1.428 -1.534 0 CA-C-O 127.089 3.328 . . . . 0.0 104.751 148.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.4 t -147.59 91.76 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.597 2.763 0 O-C-N 116.549 -3.844 . . . . 0.0 105.247 -168.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.12 13.6 28.66 Favored 'General case' 0 C--O 1.27 2.156 0 O-C-N 118.814 -2.429 . . . . 0.0 114.493 157.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -153.64 134.64 13.93 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-O 127.282 3.42 . . . . 0.0 111.821 -168.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.39 117.4 68.04 Favored Pre-proline 0 N--CA 1.514 2.733 1 CA-C-N 108.15 -4.114 . . . . 0.0 106.739 160.798 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.544 55.2 Cg_endo -148.77 154.71 0.0 OUTLIER 'Cis proline' 0 N--CA 1.532 3.79 1 C-N-CA 115.934 -4.611 . . . . 0.0 116.036 -8.749 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.4 m -125.27 116.07 21.36 Favored 'General case' 0 CA--C 1.548 0.867 1 CA-C-N 106.992 -4.64 . . . . 0.0 109.425 -147.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -88.02 130.96 34.82 Favored 'General case' 0 C--N 1.29 -2.004 0 CA-C-N 110.376 -3.102 . . . . 0.0 114.614 160.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 mt -125.79 139.71 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.399 0 N-CA-C 100.328 -3.953 . . . . 0.0 100.328 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -135.79 118.68 16.25 Favored 'General case' 0 CA--C 1.589 2.455 0 CA-C-N 111.108 -2.769 . . . . 0.0 107.199 -164.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.25 1.1 tm? -148.26 127.38 12.88 Favored 'General case' 0 C--N 1.392 2.454 1 N-CA-C 99.166 -4.383 . . . . 0.0 99.166 -164.899 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.294 24.2 tttt -109.16 172.86 6.6 Favored 'General case' 1 N--CA 1.555 4.806 0 C-N-CA 129.839 3.256 . . . . 0.0 112.432 173.777 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -52.68 16.54 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.305 1 N-CA-C 124.691 5.071 . . . . 0.0 124.691 156.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -149.77 43.99 0.73 Allowed Glycine 0 CA--C 1.542 1.769 0 C-N-CA 128.732 3.063 . . . . 0.0 112.378 -177.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.27 -171.75 0.17 Allowed 'General case' 0 CA--C 1.608 3.211 0 C-N-CA 130.497 3.519 . . . . 0.0 111.946 -177.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 tp -56.42 105.78 0.23 Allowed 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 127.834 2.454 . . . . 0.0 116.095 170.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.288 20.7 m -71.57 -55.61 13.11 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.969 0 CA-C-N 111.37 -2.65 . . . . 0.0 112.453 171.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.62 164.48 38.12 Favored 'General case' 0 C--N 1.419 3.628 0 CA-C-O 123.258 1.504 . . . . 0.0 112.225 -164.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.3 130.18 11.72 Favored 'General case' 0 CA--C 1.594 2.668 0 C-N-CA 127.281 2.232 . . . . 0.0 109.609 -175.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 37.9 m -159.91 151.62 20.12 Favored 'General case' 0 CA--C 1.598 2.811 0 C-N-CA 126.449 1.899 . . . . 0.0 107.119 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.273 1.3 p -140.73 95.44 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 N-CA-C 102.74 -3.059 . . . . 0.0 102.74 -159.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -175.23 -175.7 42.89 Favored Glycine 0 N--CA 1.508 3.464 0 CA-C-O 125.849 2.916 . . . . 0.0 109.399 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.63 120.93 12.3 Favored 'General case' 0 CA--C 1.591 2.533 0 CA-C-N 110.534 -2.833 . . . . 0.0 111.0 -176.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -173.34 130.41 0.46 Allowed 'General case' 0 CA--C 1.569 1.678 0 C-N-CA 125.367 1.467 . . . . 0.0 112.108 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.295 56.7 pttt -42.82 -56.94 2.99 Favored 'General case' 1 CA--C 1.635 4.228 0 O-C-N 126.328 2.267 . . . . 0.0 114.922 173.244 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -79.62 -40.92 28.14 Favored 'General case' 0 CA--C 1.595 2.687 1 C-N-CA 134.698 5.199 . . . . 0.0 117.667 175.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -45.71 -59.52 4.83 Favored Glycine 1 CA--C 1.594 5.024 0 O-C-N 128.505 3.628 . . . . 0.0 114.153 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.26 22.1 tp -54.21 -47.42 97.41 Favored Pre-proline 0 N--CA 1.526 3.358 0 CA-C-O 113.209 -3.281 . . . . 0.0 117.392 171.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -50.09 -39.73 50.87 Favored 'Trans proline' 0 CA--C 1.579 2.754 0 N-CA-C 122.389 3.957 . . . . 0.0 122.389 159.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.357 35.5 m -64.32 -61.53 2.18 Favored 'General case' 0 CA--C 1.569 1.687 0 C-N-CA 130.32 3.448 . . . . 0.0 111.952 175.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 20.5 tp -49.91 -48.59 51.58 Favored 'General case' 0 CA--C 1.59 2.512 0 N-CA-C 120.886 3.661 . . . . 0.0 120.886 169.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.267 97.9 t -64.99 -50.16 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.592 0 C-N-CA 127.899 2.48 . . . . 0.0 113.591 169.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.66 -63.79 0.61 Allowed 'General case' 0 N--CA 1.508 2.431 0 CA-C-N 123.002 2.637 . . . . 0.0 115.851 166.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -42.17 -49.6 4.87 Favored 'General case' 0 N--CA 1.535 3.78 0 N-CA-C 118.746 2.869 . . . . 0.0 118.746 169.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -63.91 -68.29 0.36 Allowed 'General case' 0 C--N 1.399 2.747 0 C-N-CA 126.362 1.865 . . . . 0.0 111.025 170.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -39.6 -29.6 0.06 Allowed 'General case' 0 C--O 1.198 -1.609 1 N-CA-C 125.254 5.279 . . . . 0.0 125.254 176.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.402 9.8 m -71.87 -84.44 0.03 OUTLIER 'General case' 0 N--CA 1.533 3.707 0 C-N-CA 127.689 2.396 . . . . 0.0 110.613 172.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.181 0 O-C-N 117.206 -3.433 . . . . 0.0 114.937 171.385 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.512 2.631 0 CA-C-O 127.059 3.314 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -159.14 108.61 1.92 Allowed 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 102.597 -3.112 . . . . 0.0 102.597 -175.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -163.77 162.25 23.77 Favored 'General case' 0 C--O 1.186 -2.281 0 CA-C-O 126.596 3.093 . . . . 0.0 108.894 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.3 155.71 53.14 Favored Glycine 0 N--CA 1.488 2.102 0 CA-C-N 108.433 -3.985 . . . . 0.0 110.769 167.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -151.23 134.53 16.09 Favored 'General case' 0 CA--C 1.582 2.188 0 CA-C-N 112.089 -2.055 . . . . 0.0 106.826 -170.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 t -108.12 115.06 48.17 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.435 0 C-N-CA 128.879 2.872 . . . . 0.0 103.975 175.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.329 0.2 OUTLIER -117.89 119.23 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 C-N-CA 131.47 3.908 . . . . 0.0 106.388 -173.577 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.16 130.2 37.51 Favored 'General case' 0 CA--C 1.556 1.188 0 N-CA-C 118.317 2.71 . . . . 0.0 118.317 166.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.2 m -144.36 139.34 28.41 Favored 'General case' 0 N--CA 1.514 2.748 0 O-C-N 119.457 -2.027 . . . . 0.0 112.566 -162.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -148.11 -22.65 0.35 Allowed 'General case' 0 CA--C 1.605 3.067 0 CA-C-N 113.854 -1.521 . . . . 0.0 112.637 -159.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.5 p -150.46 174.02 13.39 Favored 'General case' 0 N--CA 1.521 3.079 0 O-C-N 117.953 -2.967 . . . . 0.0 106.941 -152.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.352 10.4 p -49.34 -19.11 0.5 Allowed 'Isoleucine or valine' 1 CA--C 1.638 4.331 0 N-CA-C 117.686 2.476 . . . . 0.0 117.686 167.621 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -57.34 -44.26 84.12 Favored 'General case' 0 C--N 1.368 1.376 0 CA-C-O 114.396 -2.716 . . . . 0.0 111.866 166.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.402 0.6 OUTLIER -53.24 -41.56 65.57 Favored 'General case' 0 CA--C 1.611 3.297 0 CA-C-N 123.326 2.785 . . . . 0.0 117.497 161.551 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -54.39 -36.52 64.02 Favored 'General case' 0 CA--C 1.581 2.162 0 O-C-N 126.891 2.619 . . . . 0.0 115.818 166.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.251 48.9 mtmt -56.63 -62.47 1.71 Allowed 'General case' 0 C--O 1.269 2.123 0 CA-C-N 120.164 1.347 . . . . 0.0 113.716 162.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -48.2 -61.8 1.8 Allowed 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 119.259 3.059 . . . . 0.0 119.259 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -55.26 -59.86 4.19 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 125.761 1.624 . . . . 0.0 113.547 175.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.317 56.4 t80 -56.69 -55.04 39.11 Favored 'General case' 0 CA--C 1.582 2.207 0 CA-C-O 114.115 -2.85 . . . . 0.0 117.402 175.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.315 3.9 mm-40 -48.93 -57.65 6.12 Favored 'General case' 0 N--CA 1.513 2.682 0 N-CA-C 118.501 2.778 . . . . 0.0 118.501 167.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -56.09 -58.94 5.8 Favored 'General case' 0 CA--C 1.577 2.006 0 CA-C-N 121.892 2.133 . . . . 0.0 113.695 172.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.49 -82.19 0.04 OUTLIER Glycine 0 C--O 1.196 -2.241 0 C-N-CA 126.256 1.884 . . . . 0.0 115.883 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -90.17 89.05 7.49 Favored 'General case' 0 CA--C 1.605 3.074 0 C-N-CA 131.048 3.739 . . . . 0.0 109.166 165.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.41 -30.51 0.18 Allowed Glycine 1 CA--C 1.612 6.142 0 CA-C-N 111.559 -2.564 . . . . 0.0 111.023 166.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.33 70.0 m -120.62 131.49 54.64 Favored 'General case' 0 CA--C 1.589 2.452 0 C-N-CA 129.66 3.184 . . . . 0.0 107.596 -173.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.49 77.01 0.02 OUTLIER 'General case' 0 CA--C 1.597 2.763 0 CA-C-O 123.387 1.565 . . . . 0.0 111.915 166.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -160.65 161.96 32.56 Favored 'General case' 0 CA--C 1.607 3.138 0 CA-C-N 112.873 -1.967 . . . . 0.0 108.976 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.263 23.6 tp -87.81 149.11 24.36 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 110.766 -2.925 . . . . 0.0 115.212 162.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.331 0.6 OUTLIER -142.71 120.54 7.21 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.639 0 C-N-CA 131.243 3.817 . . . . 0.0 108.372 -177.235 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.1 t -128.02 120.36 53.5 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.153 0 CA-C-O 126.859 3.218 . . . . 0.0 105.636 -169.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.9 p -143.2 109.98 1.61 Allowed 'Isoleucine or valine' 1 CA--C 1.658 5.104 0 CA-C-N 111.214 -2.721 . . . . 0.0 109.133 -156.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -71.65 144.52 49.37 Favored 'General case' 0 CA--C 1.593 2.62 0 CA-C-N 112.217 -2.265 . . . . 0.0 114.827 168.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -137.14 100.29 4.23 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 102.404 -3.184 . . . . 0.0 102.404 -175.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.4 t -145.0 148.35 33.66 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 100.887 -3.746 . . . . 0.0 100.887 -165.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.338 . . -76.52 123.28 25.82 Favored 'General case' 0 CA--C 1.625 3.86 0 CA-C-N 112.121 -2.309 . . . . 0.0 108.714 153.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 t -34.87 -52.63 0.54 Allowed 'General case' 0 C--O 1.278 2.595 0 N-CA-C 119.311 3.078 . . . . 0.0 119.311 173.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.7 p-90 -56.43 88.53 0.01 OUTLIER 'General case' 1 N--CA 1.542 4.126 0 C-N-CA 129.035 2.934 . . . . 0.0 115.197 160.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.4 t -165.5 105.49 0.75 Allowed Pre-proline 0 N--CA 1.514 2.729 0 CA-C-O 116.039 -1.934 . . . . 0.0 106.32 -177.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.268 23.2 Cg_exo -57.36 -41.07 76.65 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 125.207 3.938 . . . . 0.0 117.815 161.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.407 33.8 Cg_exo -49.9 -54.65 5.11 Favored 'Trans proline' 0 C--N 1.412 3.882 1 C-N-CA 127.056 5.171 . . . . 0.0 116.312 164.922 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.354 59.1 m -68.22 -16.52 64.01 Favored 'General case' 0 CA--C 1.563 1.473 0 N-CA-C 117.31 2.337 . . . . 0.0 117.31 165.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.394 33.6 tttp -58.57 -60.22 4.15 Favored 'General case' 0 N--CA 1.529 3.508 0 CA-C-N 122.493 2.406 . . . . 0.0 114.078 158.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.315 12.2 ptt? -47.73 -52.71 17.49 Favored 'General case' 0 C--N 1.406 3.047 1 O-C-N 115.909 -4.244 . . . . 0.0 119.02 163.431 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.417 0.8 OUTLIER -48.1 -31.61 3.08 Favored 'Isoleucine or valine' 1 N--CA 1.555 4.806 0 N-CA-C 117.313 2.338 . . . . 0.0 117.313 164.717 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.396 . . -53.3 -67.34 0.6 Allowed Pre-proline 0 CA--C 1.615 3.466 0 CA-C-N 122.934 2.606 . . . . 0.0 114.042 173.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -50.88 -42.48 51.57 Favored 'Trans proline' 1 CA--C 1.634 5.509 0 CA-C-O 113.423 -2.824 . . . . 0.0 118.644 160.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.405 28.3 mm -51.51 -53.15 17.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 CA-C-N 122.089 2.222 . . . . 0.0 114.332 171.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -33.86 68.98 Favored 'General case' 0 N--CA 1.524 3.235 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 170.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.306 . . -76.31 -36.15 58.45 Favored 'General case' 0 N--CA 1.418 -2.033 1 N-CA-C 123.094 4.479 . . . . 0.0 123.094 169.023 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.79 -63.02 1.44 Allowed 'General case' 0 CA--C 1.578 2.044 0 C-N-CA 126.444 1.898 . . . . 0.0 110.179 162.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.6 -48.43 14.56 Favored 'General case' 0 CA--C 1.596 2.725 0 C-N-CA 128.199 2.6 . . . . 0.0 111.497 172.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.08 -46.98 72.18 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 119.163 3.023 . . . . 0.0 119.163 168.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -56.85 -35.02 68.38 Favored 'General case' 0 N--CA 1.515 2.777 0 O-C-N 125.919 2.012 . . . . 0.0 115.778 167.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.271 29.9 ttmt -63.1 -29.95 71.21 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 119.878 3.288 . . . . 0.0 119.878 171.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -131.17 96.8 21.09 Favored Pre-proline 0 CA--C 1.574 1.871 0 C-N-CA 129.537 3.135 . . . . 0.0 114.877 -158.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.353 12.8 Cg_endo -67.67 -39.23 12.27 Favored 'Trans proline' 0 CA--C 1.599 3.761 2 C-N-CA 130.494 7.463 . . . . 0.0 126.03 174.231 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.415 10.6 p30 -62.66 -6.01 3.19 Favored 'General case' 0 CA--C 1.609 3.235 0 C-N-CA 129.352 3.061 . . . . 0.0 118.104 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.254 2.5 p -144.49 112.15 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.617 3.536 0 N-CA-C 101.998 -3.334 . . . . 0.0 101.998 -153.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.5 m -72.59 148.92 44.43 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 113.014 -1.903 . . . . 0.0 115.065 158.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -140.26 137.58 34.35 Favored 'General case' 0 CA--C 1.6 2.867 0 CA-C-O 127.709 3.623 . . . . 0.0 108.731 -171.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.341 0.7 OUTLIER -154.8 156.7 36.73 Favored 'General case' 0 CA--C 1.565 1.555 0 CA-C-N 110.94 -2.845 . . . . 0.0 110.583 -174.161 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -147.47 105.7 3.76 Favored 'General case' 0 CA--C 1.607 3.139 0 CA-C-O 128.393 3.949 . . . . 0.0 105.887 -161.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.2 t -91.69 119.05 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.561 0 CA-C-N 111.138 -2.756 . . . . 0.0 108.432 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -62.12 103.73 0.4 Allowed 'General case' 0 CA--C 1.557 1.212 0 CA-C-O 126.855 3.217 . . . . 0.0 113.087 152.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 p -52.62 -42.31 40.18 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.283 0 N-CA-C 119.579 3.177 . . . . 0.0 119.579 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.346 8.6 m-20 -39.91 -49.87 2.45 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 117.411 2.375 . . . . 0.0 117.411 174.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -73.88 -14.78 61.13 Favored 'General case' 0 CA--C 1.591 2.528 0 N-CA-C 119.384 3.105 . . . . 0.0 119.384 167.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.7 mt -154.64 50.39 0.61 Allowed 'General case' 0 CA--C 1.581 2.165 0 CA-C-O 125.46 2.552 . . . . 0.0 116.57 -166.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.348 56.9 pttt -73.55 -39.05 65.01 Favored 'General case' 0 C--N 1.296 -1.732 1 C-N-CA 131.886 4.074 . . . . 0.0 114.927 174.483 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.48 -54.43 45.89 Favored 'General case' 0 CA--C 1.568 1.654 0 O-C-N 120.654 -1.279 . . . . 0.0 112.809 174.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.298 11.1 p -58.32 -53.42 46.46 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.238 0 C-N-CA 127.271 2.228 . . . . 0.0 115.895 169.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.47 -54.27 7.68 Favored 'General case' 0 C--N 1.403 2.928 0 N-CA-C 120.428 3.492 . . . . 0.0 120.428 168.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -58.05 -47.92 81.66 Favored 'General case' 0 CA--C 1.597 2.762 1 CA-C-O 111.422 -4.132 . . . . 0.0 108.001 173.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.63 0.9 OUTLIER -46.11 -53.93 9.47 Favored 'General case' 0 C--N 1.42 3.636 0 N-CA-C 118.392 2.738 . . . . 0.0 118.392 171.012 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.322 11.1 m95 -56.33 -46.99 79.66 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 119.723 3.231 . . . . 0.0 119.723 170.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 143.06 93.81 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.92 0 C-N-CA 128.131 2.572 . . . . 0.0 106.031 150.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.6 t -144.56 76.26 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.46 0 CA-C-N 110.937 -2.847 . . . . 0.0 114.53 -173.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -63.47 -29.64 70.89 Favored 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 116.76 2.133 . . . . 0.0 116.76 152.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -133.19 134.01 43.52 Favored 'General case' 0 N--CA 1.533 3.68 0 C-N-CA 130.523 3.529 . . . . 0.0 108.137 -153.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.441 ' HA ' ' HA ' ' A' ' 81' ' ' PRO 0.302 0.1 OUTLIER -80.04 129.68 69.27 Favored Pre-proline 0 C--N 1.398 2.682 0 C-N-CA 127.91 2.484 . . . . 0.0 107.825 163.344 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 80' ' ' MET 0.252 62.1 Cg_endo -143.6 141.65 0.0 OUTLIER 'Cis proline' 0 N--CA 1.519 3.02 1 CA-C-O 134.067 5.778 . . . . 0.0 116.958 -12.512 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 96' ' ' VAL . 6.3 m -118.31 122.32 42.61 Favored 'General case' 0 C--N 1.271 -2.814 1 CA-C-N 104.032 -5.985 . . . . 0.0 112.275 -148.718 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -95.37 137.85 33.86 Favored 'General case' 0 CA--C 1.592 2.578 1 C-N-CA 134.192 4.997 . . . . 0.0 107.331 173.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 mp -131.7 128.1 59.88 Favored 'Isoleucine or valine' 0 C--O 1.302 3.854 1 CA-C-O 129.142 4.306 . . . . 0.0 106.849 -174.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -102.77 114.54 28.87 Favored 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 130.159 3.383 . . . . 0.0 105.33 -176.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.259 0.2 OUTLIER -139.08 124.95 19.75 Favored 'General case' 0 CA--C 1.609 3.214 1 N-CA-C 99.855 -4.128 . . . . 0.0 99.855 -168.561 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -125.45 171.66 10.3 Favored 'General case' 0 C--N 1.272 -2.78 0 C-N-CA 128.317 2.647 . . . . 0.0 109.016 -169.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -57.47 52.62 0.0 OUTLIER 'General case' 0 CA--C 1.602 2.944 0 O-C-N 116.86 -3.65 . . . . 0.0 116.493 145.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -177.06 41.51 0.1 OUTLIER Glycine 0 CA--C 1.57 3.497 0 CA-C-N 114.374 -1.285 . . . . 0.0 111.371 174.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.295 26.1 mtmt 56.74 -167.71 0.11 Allowed 'General case' 0 C--O 1.266 1.97 0 C-N-CA 128.718 2.807 . . . . 0.0 111.951 -175.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.6 tp -58.06 100.35 0.06 Allowed 'General case' 0 CA--C 1.58 2.11 0 CA-C-O 125.094 2.378 . . . . 0.0 111.641 171.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.8 m -76.71 -33.72 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.567 0 N-CA-C 120.291 3.441 . . . . 0.0 120.291 167.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.94 165.96 15.68 Favored 'General case' 0 C--N 1.409 3.19 0 CA-C-N 125.909 3.959 . . . . 0.0 113.054 -172.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -160.81 129.88 4.77 Favored 'General case' 0 C--N 1.381 1.959 0 CA-C-O 122.819 1.295 . . . . 0.0 112.36 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.5 m -149.59 140.45 22.78 Favored 'General case' 0 CA--C 1.591 2.557 0 CA-C-O 124.798 2.237 . . . . 0.0 107.631 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.454 ' HA ' ' HA ' ' A' ' 82' ' ' THR 0.262 0.2 OUTLIER -138.05 106.27 3.7 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.081 1 CA-C-N 107.204 -4.544 . . . . 0.0 104.421 -163.69 . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 174.57 -148.88 10.08 Favored Glycine 0 N--CA 1.503 3.101 0 N-CA-C 105.08 -3.208 . . . . 0.0 105.08 169.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -166.57 101.83 0.59 Allowed 'General case' 0 CA--C 1.616 3.513 0 CA-C-N 110.943 -2.629 . . . . 0.0 108.956 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -146.87 118.82 8.16 Favored 'General case' 0 CA--C 1.573 1.854 0 N-CA-C 101.517 -3.512 . . . . 0.0 101.517 -174.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -46.21 -39.51 9.89 Favored 'General case' 0 N--CA 1.517 2.896 0 N-CA-C 118.463 2.764 . . . . 0.0 118.463 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.271 2.6 p30 -83.09 -46.65 12.54 Favored 'General case' 0 N--CA 1.52 3.047 0 C-N-CA 129.676 3.19 . . . . 0.0 115.024 171.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -44.1 -50.14 7.74 Favored Glycine 1 CA--C 1.579 4.068 0 N-CA-C 120.84 3.096 . . . . 0.0 120.84 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.4 tp -72.23 -60.54 2.19 Favored Pre-proline 0 CA--C 1.58 2.132 0 C-N-CA 130.146 3.378 . . . . 0.0 108.622 -176.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -44.18 -42.31 13.1 Favored 'Trans proline' 0 CA--C 1.562 1.887 0 CA-C-N 125.398 2.963 . . . . 0.0 118.983 166.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 21.3 m -60.24 -61.74 2.38 Favored 'General case' 0 CA--C 1.614 3.427 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 170.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 56.7 tp -42.13 -59.23 1.84 Allowed 'General case' 1 N--CA 1.544 4.275 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 170.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.1 t -55.33 -47.68 77.68 Favored 'Isoleucine or valine' 0 C--O 1.262 1.722 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 173.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.68 -47.02 20.44 Favored 'General case' 0 CA--C 1.569 1.689 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 168.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . 0.259 67.3 mttt -58.09 -45.27 87.46 Favored 'General case' 1 CA--C 1.631 4.087 0 O-C-N 119.563 -1.961 . . . . 0.0 115.004 172.448 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -70.02 -54.75 11.8 Favored 'General case' 0 N--CA 1.514 2.768 0 N-CA-C 120.022 3.342 . . . . 0.0 120.022 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.81 -52.16 66.89 Favored 'General case' 0 N--CA 1.498 1.929 1 N-CA-C 122.626 4.306 . . . . 0.0 122.626 168.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.29 3.4 m -65.73 -29.53 70.07 Favored 'General case' 0 CA--C 1.625 3.853 0 C-N-CA 125.268 1.427 . . . . 0.0 114.627 173.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 126.396 2.998 . . . . 0.0 116.007 157.005 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.583 2.215 0 CA-C-O 121.788 0.804 . . . . 0.0 108.868 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -151.5 111.46 4.07 Favored 'General case' 0 CA--C 1.579 2.084 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 -164.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -159.17 164.95 34.72 Favored 'General case' 0 CA--C 1.595 2.694 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -171.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.8 -179.71 5.98 Favored Glycine 1 CA--C 1.449 -4.088 0 CA-C-O 119.102 -0.832 . . . . 0.0 113.243 158.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -161.48 138.0 8.32 Favored 'General case' 0 CA--C 1.591 2.528 0 N-CA-C 104.059 -2.571 . . . . 0.0 104.059 -176.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.1 t -97.98 117.36 42.67 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.565 0 C-N-CA 131.68 3.992 . . . . 0.0 109.156 174.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -136.15 112.23 12.49 Favored 'Isoleucine or valine' 1 CA--C 1.637 4.315 0 C-N-CA 126.104 1.762 . . . . 0.0 107.358 -164.679 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.02 144.28 34.86 Favored 'General case' 0 N--CA 1.405 -2.715 0 CA-C-N 112.557 -2.111 . . . . 0.0 116.38 169.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.0 m -145.07 134.85 23.54 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 111.41 -2.632 . . . . 0.0 111.849 -166.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -150.13 -11.98 0.26 Allowed 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 113.402 -3.19 . . . . 0.0 115.833 -162.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.2 p -158.05 -172.74 4.03 Favored 'General case' 0 CA--C 1.59 2.492 0 CA-C-N 122.86 2.573 . . . . 0.0 106.556 -162.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.7 p -59.15 -15.91 8.22 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.582 0 O-C-N 117.833 -3.042 . . . . 0.0 118.398 165.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -50.97 -44.95 60.71 Favored 'General case' 0 CA--C 1.59 2.514 1 N-CA-C 122.018 4.081 . . . . 0.0 122.018 155.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.412 3.6 t -56.81 -33.83 67.1 Favored 'General case' 0 CA--C 1.613 3.401 0 N-CA-C 119.943 3.312 . . . . 0.0 119.943 158.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 28.5 m95 -54.03 -42.32 69.01 Favored 'General case' 0 CA--C 1.608 3.194 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 161.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -52.59 -56.02 18.27 Favored 'General case' 0 N--CA 1.523 3.191 0 C-N-CA 127.028 2.131 . . . . 0.0 112.347 162.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -57.57 -70.34 0.13 Allowed 'General case' 0 CA--C 1.574 1.889 1 N-CA-C 122.887 4.403 . . . . 0.0 122.887 170.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -51.86 -58.22 7.08 Favored 'General case' 0 N--CA 1.5 2.056 0 CA-C-O 125.417 2.532 . . . . 0.0 116.26 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -56.04 -57.42 12.2 Favored 'General case' 0 N--CA 1.482 1.132 1 N-CA-C 124.981 5.178 . . . . 0.0 124.981 171.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.347 1.7 mm-40 -63.55 -50.81 68.03 Favored 'General case' 0 CA--C 1.588 2.425 0 C-N-CA 129.757 3.223 . . . . 0.0 117.478 176.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.304 33.9 mmtp -51.6 -65.94 0.47 Allowed 'General case' 0 CA--C 1.592 2.592 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 155.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.0 -92.56 0.01 OUTLIER Glycine 0 N--CA 1.512 3.751 0 N-CA-C 117.479 1.751 . . . . 0.0 117.479 175.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -65.73 96.5 0.28 Allowed 'General case' 0 CA--C 1.61 3.287 0 CA-C-N 123.013 3.407 . . . . 0.0 108.069 156.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.96 -63.72 0.3 Allowed Glycine 0 CA--C 1.575 3.811 0 CA-C-N 110.506 -3.043 . . . . 0.0 112.371 162.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.5 m -85.51 124.13 31.73 Favored 'General case' 0 C--N 1.287 -2.148 1 CA-C-N 106.105 -5.047 . . . . 0.0 105.082 -176.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -67.86 78.09 0.21 Allowed 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 112.343 -2.208 . . . . 0.0 116.664 173.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -151.44 177.62 10.11 Favored 'General case' 0 C--N 1.382 1.982 0 C-N-CA 129.704 3.202 . . . . 0.0 108.322 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.0 tp -108.17 153.51 23.07 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 129.74 3.216 . . . . 0.0 106.316 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.365 2.8 pt -146.5 135.55 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.843 0 C-N-CA 129.346 3.058 . . . . 0.0 104.037 -176.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.5 t -140.69 129.57 25.3 Favored 'Isoleucine or valine' 0 C--O 1.266 1.957 1 N-CA-C 100.163 -4.014 . . . . 0.0 100.163 -168.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.383 7.1 p -144.35 115.59 2.3 Favored 'Isoleucine or valine' 1 N--CA 1.567 5.4 0 O-C-N 118.622 -2.549 . . . . 0.0 109.155 -154.857 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -76.79 141.81 40.59 Favored 'General case' 0 CA--C 1.581 2.143 0 CA-C-N 112.677 -2.056 . . . . 0.0 111.069 163.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -137.4 105.59 5.72 Favored 'General case' 0 CA--C 1.578 2.042 1 C-N-CA 132.306 4.242 . . . . 0.0 100.806 175.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.9 t -149.31 153.22 37.16 Favored 'General case' 0 C--N 1.283 -2.314 1 O-C-N 130.106 4.629 . . . . 0.0 103.416 -168.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.293 . . -77.81 139.08 39.28 Favored 'General case' 0 C--O 1.29 3.2 0 C-N-CA 127.714 2.405 . . . . 0.0 110.398 159.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.9 t -51.42 -38.85 55.68 Favored 'General case' 0 N--CA 1.525 3.281 0 CA-C-O 128.375 3.94 . . . . 0.0 118.851 169.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -72.85 84.25 1.22 Allowed 'General case' 0 C--N 1.279 -2.473 0 CA-C-N 110.28 -3.146 . . . . 0.0 115.978 170.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 41.9 t -166.04 92.62 0.82 Allowed Pre-proline 1 N--CA 1.543 4.206 0 CA-C-O 116.18 -1.867 . . . . 0.0 108.89 -173.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.34 33.1 Cg_exo -47.28 -45.32 22.46 Favored 'Trans proline' 0 N--CA 1.523 3.259 0 N-CA-C 118.065 2.294 . . . . 0.0 118.065 164.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -46.42 -56.99 2.5 Favored 'Trans proline' 0 CA--C 1.573 2.461 0 N-CA-C 118.255 2.367 . . . . 0.0 118.255 162.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.473 ' HA ' HG22 ' A' ' 44' ' ' ILE 0.428 4.8 m -64.02 -23.97 67.54 Favored 'General case' 0 CA--C 1.574 1.869 0 N-CA-C 119.675 3.213 . . . . 0.0 119.675 170.309 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -57.57 -42.08 82.34 Favored 'General case' 0 N--CA 1.524 3.23 0 N-CA-C 117.471 2.397 . . . . 0.0 117.471 162.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.445 17.0 ptt? -63.83 -52.08 61.8 Favored 'General case' 0 CA--C 1.617 3.531 0 N-CA-C 119.355 3.094 . . . . 0.0 119.355 156.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 41' ' ' CYS 0.521 1.1 tp -43.66 -40.38 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.385 2.117 1 N-CA-C 121.812 4.005 . . . . 0.0 121.812 169.434 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.67 -62.88 3.81 Favored Pre-proline 0 C--O 1.265 1.889 1 CA-C-O 109.665 -4.969 . . . . 0.0 109.807 170.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -46.27 -39.95 21.63 Favored 'Trans proline' 0 CA--C 1.572 2.383 2 C-N-CA 127.772 5.648 . . . . 0.0 116.31 167.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.329 50.4 mm -55.37 -60.3 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 CA-C-N 122.518 2.417 . . . . 0.0 114.589 168.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -53.79 -36.27 62.25 Favored 'General case' 0 CA--C 1.623 3.766 0 C-N-CA 128.387 2.675 . . . . 0.0 110.762 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.68 -57.73 9.99 Favored 'General case' 0 C--N 1.368 1.384 0 N-CA-C 118.878 2.918 . . . . 0.0 118.878 162.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.66 -48.35 63.43 Favored 'General case' 0 C--O 1.261 1.688 0 O-C-N 117.909 -2.994 . . . . 0.0 117.347 168.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.92 -35.64 58.65 Favored 'General case' 0 CA--C 1.57 1.721 0 N-CA-C 117.362 2.356 . . . . 0.0 117.362 163.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . 0.272 . . -63.51 -47.82 80.12 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 126.859 2.063 . . . . 0.0 116.427 166.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -51.96 -34.49 42.37 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 117.762 2.504 . . . . 0.0 117.762 162.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.428 31.7 ttmt -64.97 -36.21 83.67 Favored 'General case' 0 C--N 1.392 2.437 0 N-CA-C 119.259 3.059 . . . . 0.0 119.259 169.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -130.99 89.8 41.42 Favored Pre-proline 0 CA--C 1.626 3.881 0 C-N-CA 130.095 3.358 . . . . 0.0 110.946 -154.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.385 63.0 Cg_endo -62.44 -34.66 75.63 Favored 'Trans proline' 1 CA--C 1.613 4.458 2 C-N-CA 130.91 7.74 . . . . 0.0 122.867 167.706 . . . . . . . . 4 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.517 HD21 ' HB1' ' A' ' 111' ' ' ALA 0.403 4.8 p30 -61.56 -11.7 12.32 Favored 'General case' 0 C--O 1.268 2.03 0 N-CA-C 121.37 3.841 . . . . 0.0 121.37 176.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.278 6.5 p -139.74 107.24 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 -145.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.8 m -65.57 157.61 29.31 Favored 'General case' 0 CA--C 1.584 2.28 0 N-CA-C 114.598 1.332 . . . . 0.0 114.598 161.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -149.58 126.96 11.46 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 108.855 -3.793 . . . . 0.0 106.679 -169.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.445 0.4 OUTLIER -143.01 147.58 35.35 Favored 'General case' 0 CA--C 1.609 3.223 0 CA-C-N 111.466 -2.606 . . . . 0.0 107.803 -168.349 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.455 33.3 pttt -139.07 108.53 6.15 Favored 'General case' 0 CA--C 1.622 3.746 0 N-CA-C 103.471 -2.789 . . . . 0.0 103.471 -170.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.5 t -89.63 127.38 42.3 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.35 0 CA-C-N 110.202 -3.181 . . . . 0.0 107.396 172.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -75.61 115.08 14.91 Favored 'General case' 0 C--N 1.39 2.343 0 CA-C-N 110.87 -2.877 . . . . 0.0 107.911 157.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.273 0.4 OUTLIER -53.93 -44.07 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 118.085 2.624 . . . . 0.0 118.085 163.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -50.96 -41.06 59.0 Favored 'General case' 1 N--CA 1.543 4.194 0 O-C-N 126.962 2.664 . . . . 0.0 115.557 171.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -47.59 80.47 Favored 'General case' 0 N--CA 1.514 2.746 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 155.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.4 mt -144.16 63.52 1.33 Allowed 'General case' 0 CA--C 1.605 3.094 1 CA-C-O 131.211 5.291 . . . . 0.0 111.984 -162.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.297 54.1 pttt -66.33 -47.51 73.26 Favored 'General case' 0 CA--C 1.573 1.854 0 CA-C-N 109.346 -3.57 . . . . 0.0 118.914 169.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.18 -60.05 3.92 Favored 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 118.565 2.802 . . . . 0.0 118.565 172.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.391 8.7 p -57.58 -50.25 77.87 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.741 0 CA-C-O 116.877 -1.535 . . . . 0.0 114.318 169.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.5 -48.15 38.24 Favored 'General case' 0 N--CA 1.506 2.332 0 CA-C-N 125.346 3.703 . . . . 0.0 118.403 172.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -52.05 -51.05 60.07 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-N 112.703 -2.044 . . . . 0.0 112.251 169.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.513 0.0 OUTLIER -48.19 -55.6 10.0 Favored 'General case' 0 N--CA 1.519 3.02 0 N-CA-C 119.057 2.984 . . . . 0.0 119.057 173.449 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -55.31 -50.36 69.78 Favored 'General case' 0 N--CA 1.514 2.735 0 O-C-N 126.8 2.562 . . . . 0.0 110.181 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.465 11.3 t30 150.86 88.42 0.0 OUTLIER 'General case' 0 C--O 1.263 1.808 0 C-N-CA 127.287 2.235 . . . . 0.0 107.318 154.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.3 t -147.9 83.72 0.11 Allowed 'Isoleucine or valine' 1 CA--C 1.648 4.75 1 N-CA-C 99.646 -4.205 . . . . 0.0 99.646 -166.332 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -81.67 7.44 12.36 Favored 'General case' 0 N--CA 1.424 -1.755 0 N-CA-C 119.808 3.262 . . . . 0.0 119.808 152.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -162.96 131.96 4.08 Favored 'General case' 1 CA--C 1.677 5.854 0 O-C-N 117.109 -3.494 . . . . 0.0 114.962 -171.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -75.06 112.87 20.05 Favored Pre-proline 0 CA--C 1.614 3.415 0 CA-C-O 112.591 -3.576 . . . . 0.0 112.682 165.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.378 96.1 Cg_endo -150.55 144.47 0.0 OUTLIER 'Cis proline' 0 C--N 1.396 3.03 0 N-CA-C 121.938 3.784 . . . . 0.0 121.938 -4.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.9 m -115.94 135.97 53.48 Favored 'General case' 0 N--CA 1.53 3.533 1 CA-C-N 107.62 -4.355 . . . . 0.0 107.198 -147.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -120.75 117.07 26.5 Favored 'General case' 0 N--CA 1.489 1.476 1 CA-C-N 106.424 -4.898 . . . . 0.0 101.733 -169.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.304 14.5 mt -126.75 135.54 63.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 2 CA-C-O 129.762 4.601 . . . . 0.0 106.11 -165.683 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -122.69 108.66 13.32 Favored 'General case' 0 CA--C 1.574 1.875 0 CA-C-N 109.736 -3.393 . . . . 0.0 105.87 -163.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.87 132.37 34.47 Favored 'General case' 0 N--CA 1.422 -1.826 0 CA-C-O 128.382 3.944 . . . . 0.0 104.78 -170.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -134.29 174.29 10.68 Favored 'General case' 0 CA--C 1.577 1.993 0 CA-C-N 111.142 -2.754 . . . . 0.0 111.319 -168.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.339 4.1 p-10 -57.97 44.94 0.0 OUTLIER 'General case' 0 CA--C 1.58 2.109 0 N-CA-C 120.556 3.539 . . . . 0.0 120.556 151.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.69 51.16 0.11 Allowed Glycine 1 CA--C 1.593 4.962 0 C-N-CA 126.389 1.947 . . . . 0.0 110.129 175.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.272 18.9 mtmt 49.87 -157.11 0.09 Allowed 'General case' 0 C--N 1.426 3.921 0 C-N-CA 129.537 3.135 . . . . 0.0 113.543 -176.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.3 tp -60.65 105.49 0.45 Allowed 'General case' 0 CA--C 1.613 3.399 0 O-C-N 118.121 -2.862 . . . . 0.0 108.674 172.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.383 35.3 m -76.31 -43.38 36.72 Favored 'Isoleucine or valine' 0 C--O 1.275 2.443 0 CA-C-O 113.726 -3.035 . . . . 0.0 117.155 165.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -170.82 169.69 6.78 Favored 'General case' 0 C--O 1.271 2.195 0 CA-C-N 122.228 2.285 . . . . 0.0 112.515 -176.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -158.75 139.89 13.06 Favored 'General case' 0 CA--C 1.617 3.528 0 CA-C-O 125.375 2.512 . . . . 0.0 108.559 -176.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.4 m -154.39 152.78 30.6 Favored 'General case' 0 CA--C 1.576 1.973 1 CA-C-N 107.498 -4.41 . . . . 0.0 105.618 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.65 102.8 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.468 0 O-C-N 126.256 2.223 . . . . 0.0 110.906 -165.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -168.3 -141.26 3.14 Favored Glycine 0 C--O 1.288 3.502 0 C-N-CA 117.196 -2.43 . . . . 0.0 111.818 -174.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 177.45 114.55 0.03 OUTLIER 'General case' 0 N--CA 1.524 3.273 0 N-CA-C 100.322 -3.955 . . . . 0.0 100.322 169.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . 0.267 5.8 t0 -161.18 130.55 4.73 Favored 'General case' 0 N--CA 1.522 3.155 0 N-CA-C 102.74 -3.059 . . . . 0.0 102.74 -177.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.278 56.7 pttt -59.05 -53.58 56.75 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-N 109.099 -3.682 . . . . 0.0 116.831 172.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.319 3.2 p30 -71.39 -46.64 59.81 Favored 'General case' 0 N--CA 1.406 -2.647 0 O-C-N 118.937 -2.352 . . . . 0.0 113.024 168.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -42.21 -53.77 4.76 Favored Glycine 1 CA--C 1.594 4.97 1 N-CA-C 125.691 5.036 . . . . 0.0 125.691 179.973 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.06 -51.54 54.8 Favored Pre-proline 0 CA--C 1.585 2.304 0 CA-C-O 113.976 -2.916 . . . . 0.0 116.127 171.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -48.16 -38.26 32.51 Favored 'Trans proline' 0 CA--C 1.552 1.382 0 CA-C-N 127.33 3.654 . . . . 0.0 120.404 157.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.341 26.2 m -64.48 -54.35 33.9 Favored 'General case' 0 CA--C 1.592 2.588 0 O-C-N 119.082 -2.261 . . . . 0.0 113.955 175.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.0 tp -55.89 -38.07 69.69 Favored 'General case' 1 N--CA 1.542 4.173 0 N-CA-C 121.227 3.788 . . . . 0.0 121.227 167.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.47 -50.06 77.86 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.664 0 C-N-CA 129.696 3.198 . . . . 0.0 116.154 168.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.68 -55.87 19.51 Favored 'General case' 0 C--N 1.277 -2.585 0 C-N-CA 126.087 1.755 . . . . 0.0 111.046 171.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -47.25 -46.17 24.31 Favored 'General case' 0 CA--C 1.621 3.71 0 O-C-N 119.384 -2.073 . . . . 0.0 115.486 168.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.44 46.6 m-70 -64.38 -52.25 59.2 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 119.659 3.207 . . . . 0.0 119.659 173.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.517 ' HB1' HD21 ' A' ' 57' ' ' ASN . . . -53.76 -20.65 5.89 Favored 'General case' 0 CA--C 1.592 2.589 0 CA-C-O 112.956 -3.402 . . . . 0.0 117.185 164.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.413 86.6 m -78.43 -92.49 0.04 OUTLIER 'General case' 0 CA--C 1.601 2.936 0 O-C-N 128.84 3.838 . . . . 0.0 110.708 165.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . 0.36 . . . . . . . 0 C--O 1.283 2.854 0 N-CA-C 120.003 3.335 . . . . 0.0 120.003 168.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.329 0 N-CA-C 118.633 2.827 . . . . 0.0 118.633 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -162.4 77.15 0.48 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-O 122.96 1.362 . . . . 0.0 108.458 -176.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -142.24 163.56 32.54 Favored 'General case' 0 N--CA 1.517 2.915 0 CA-C-N 111.212 -2.722 . . . . 0.0 114.507 -168.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.36 157.51 53.46 Favored Glycine 0 C--N 1.374 2.655 0 CA-C-O 126.437 3.243 . . . . 0.0 113.494 157.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -149.45 133.77 17.4 Favored 'General case' 0 CA--C 1.592 2.587 0 CA-C-N 112.267 -1.967 . . . . 0.0 108.026 -170.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.7 t -95.16 128.19 46.54 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-O 126.956 3.265 . . . . 0.0 105.424 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.29 0.5 OUTLIER -126.93 120.61 56.14 Favored 'Isoleucine or valine' 0 CA--C 1.609 3.239 0 C-N-CA 129.632 3.173 . . . . 0.0 104.065 -173.197 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.407 ' O ' ' SG ' ' A' ' 9' ' ' CYS . . . -59.22 147.19 36.44 Favored 'General case' 0 N--CA 1.506 2.357 0 CA-C-O 124.439 2.066 . . . . 0.0 111.905 165.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 8' ' ' ALA . 78.6 m -150.36 135.66 17.94 Favored 'General case' 0 CA--C 1.594 2.639 0 C-N-CA 125.199 1.4 . . . . 0.0 113.026 -172.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -151.16 -14.45 0.21 Allowed 'General case' 0 C--N 1.387 2.227 0 O-C-N 126.624 2.453 . . . . 0.0 112.503 -164.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.2 p -146.5 -177.29 5.55 Favored 'General case' 0 CA--C 1.6 2.887 0 CA-C-N 123.131 2.696 . . . . 0.0 110.47 -155.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -55.6 -17.84 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.259 0 O-C-N 126.975 2.672 . . . . 0.0 117.656 154.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.97 -41.69 62.33 Favored 'General case' 0 CA--C 1.614 3.415 0 N-CA-C 116.252 1.945 . . . . 0.0 116.252 167.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.416 ' HG1' HD13 ' A' ' 61' ' ' LEU 0.289 0.7 OUTLIER -62.64 -38.62 90.98 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 164.959 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -52.21 -49.96 62.9 Favored 'General case' 0 CA--C 1.569 1.681 0 O-C-N 118.635 -2.541 . . . . 0.0 114.628 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -58.46 -47.65 83.31 Favored 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 165.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.283 38.5 mt-10 -58.42 -65.08 0.71 Allowed 'General case' 0 CA--C 1.619 3.618 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 174.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -47.6 -64.74 0.71 Allowed 'General case' 0 CA--C 1.591 2.525 0 N-CA-C 117.895 2.554 . . . . 0.0 117.895 175.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.252 1.1 t80 -54.52 -59.36 4.8 Favored 'General case' 0 CA--C 1.62 3.67 0 N-CA-C 120.677 3.584 . . . . 0.0 120.677 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.18 -42.24 90.35 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -63.32 -63.08 1.29 Allowed 'General case' 0 CA--C 1.578 2.021 0 CA-C-N 122.219 2.281 . . . . 0.0 111.832 170.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.0 -75.75 0.2 Allowed Glycine 0 CA--C 1.569 3.411 0 O-C-N 120.897 -1.127 . . . . 0.0 115.475 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -79.73 91.31 5.28 Favored 'General case' 0 CA--C 1.62 3.657 0 CA-C-O 125.616 2.626 . . . . 0.0 106.511 161.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.4 -29.29 0.51 Allowed Glycine 0 C--O 1.293 3.817 0 N-CA-C 120.016 2.767 . . . . 0.0 120.016 162.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.1 m -119.29 138.26 53.13 Favored 'General case' 0 C--O 1.27 2.171 0 CA-C-N 110.87 -2.665 . . . . 0.0 106.188 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.341 0.2 OUTLIER -64.23 74.85 0.04 OUTLIER 'General case' 0 CA--C 1.592 2.594 0 CA-C-N 112.283 -2.235 . . . . 0.0 115.3 169.454 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.298 15.5 ptpt -158.54 154.03 26.0 Favored 'General case' 0 C--O 1.277 2.532 0 C-N-CA 126.553 1.941 . . . . 0.0 110.062 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 tp -86.17 153.52 21.99 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 124.628 2.156 . . . . 0.0 106.51 160.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.1 pt -149.5 137.53 14.31 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.723 0 N-CA-C 102.345 -3.206 . . . . 0.0 102.345 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.2 t -138.59 131.72 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 CA-C-N 110.473 -3.058 . . . . 0.0 105.737 -162.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.9 p -150.86 113.69 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.458 0 CA-C-O 123.345 1.545 . . . . 0.0 112.559 -158.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -77.15 133.14 39.05 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 129.542 3.137 . . . . 0.0 112.504 171.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -113.87 110.3 19.9 Favored 'General case' 0 C--O 1.276 2.472 0 CA-C-N 109.25 -3.614 . . . . 0.0 103.888 170.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -153.8 136.06 14.89 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 100.681 -3.822 . . . . 0.0 100.681 -171.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.25 153.8 39.26 Favored 'General case' 0 N--CA 1.388 -3.526 0 CA-C-N 109.8 -3.364 . . . . 0.0 116.979 150.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.1 t -55.34 -44.08 75.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 125.939 2.024 . . . . 0.0 115.42 162.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.403 40.5 p-90 -62.44 58.98 0.01 OUTLIER 'General case' 0 N--CA 1.525 3.309 1 CA-C-O 128.888 4.185 . . . . 0.0 115.994 165.536 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.4 t -153.95 81.02 4.8 Favored Pre-proline 0 N--CA 1.488 1.439 0 O-C-N 117.407 -3.308 . . . . 0.0 109.444 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.322 16.8 Cg_exo -47.35 -36.02 22.19 Favored 'Trans proline' 1 CA--C 1.619 4.746 0 N-CA-C 121.564 3.64 . . . . 0.0 121.564 160.932 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.78 -37.38 84.57 Favored 'Trans proline' 0 CA--C 1.584 3.003 0 C-N-CA 124.973 3.782 . . . . 0.0 120.422 158.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.616 ' HA ' HG22 ' A' ' 44' ' ' ILE 0.463 72.9 m -75.53 -28.29 59.03 Favored 'General case' 0 CA--C 1.593 2.602 0 N-CA-C 119.926 3.306 . . . . 0.0 119.926 162.075 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.32 37.2 tttp -60.07 -39.17 85.11 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 166.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.447 9.7 ptt? -60.5 -47.93 83.99 Favored 'General case' 1 N--CA 1.544 4.247 0 N-CA-C 119.325 3.083 . . . . 0.0 119.325 153.619 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.616 HG22 ' HA ' ' A' ' 41' ' ' CYS 0.603 1.1 tp -54.42 -42.9 60.89 Favored 'Isoleucine or valine' 0 C--O 1.283 2.856 1 N-CA-C 122.535 4.272 . . . . 0.0 122.535 178.512 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.85 -53.52 64.04 Favored Pre-proline 0 C--N 1.381 1.959 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 167.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -46.46 -41.86 23.12 Favored 'Trans proline' 0 CA--C 1.567 2.137 0 N-CA-C 121.206 3.502 . . . . 0.0 121.206 161.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.2 mm -58.22 -60.46 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.647 0 O-C-N 117.729 -3.107 . . . . 0.0 113.766 164.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -44.99 -33.57 2.08 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 168.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.94 -51.9 42.3 Favored 'General case' 0 CA--C 1.587 2.384 0 O-C-N 118.505 -2.622 . . . . 0.0 115.137 166.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.01 -50.48 68.92 Favored 'General case' 0 N--CA 1.518 2.961 0 CA-C-O 115.9 -2.0 . . . . 0.0 115.804 171.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.0 -44.25 74.35 Favored 'General case' 1 CA--C 1.635 4.245 0 C-N-CA 126.201 1.8 . . . . 0.0 115.848 163.318 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.35 -43.76 75.33 Favored 'General case' 0 CA--C 1.617 3.524 0 O-C-N 119.119 -2.238 . . . . 0.0 116.328 171.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -58.06 -35.75 71.8 Favored 'General case' 0 CA--C 1.628 3.961 0 O-C-N 128.435 3.584 . . . . 0.0 117.003 166.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -63.24 -40.82 98.51 Favored 'General case' 0 CA--C 1.582 2.184 0 O-C-N 119.586 -1.946 . . . . 0.0 114.654 173.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -131.82 81.05 64.18 Favored Pre-proline 0 CA--C 1.609 3.247 0 O-C-N 126.629 2.455 . . . . 0.0 105.791 -147.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -56.67 -38.1 96.33 Favored 'Trans proline' 0 C--N 1.386 2.539 1 C-N-CA 125.521 4.147 . . . . 0.0 122.272 177.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.551 HD21 ' HB1' ' A' ' 111' ' ' ALA 0.295 9.3 p30 -57.27 1.1 0.04 OUTLIER 'General case' 0 CA--C 1.606 3.114 0 N-CA-C 118.821 2.897 . . . . 0.0 118.821 -178.584 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.485 3.2 p -140.19 110.16 3.71 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.687 0 C-N-CA 126.711 2.004 . . . . 0.0 115.501 -152.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . 0.286 90.8 m -64.97 143.31 58.04 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 118.199 -2.813 . . . . 0.0 113.661 161.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -138.64 129.48 26.53 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 126.653 3.12 . . . . 0.0 106.211 -169.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.416 HD13 ' HG1' ' A' ' 14' ' ' THR 0.277 0.6 OUTLIER -152.19 156.1 39.11 Favored 'General case' 0 C--N 1.36 1.056 0 O-C-N 118.684 -2.51 . . . . 0.0 108.524 -171.24 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -148.98 113.85 5.41 Favored 'General case' 0 N--CA 1.526 3.375 0 O-C-N 118.916 -2.365 . . . . 0.0 106.202 -164.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . 0.326 44.4 t -92.47 109.97 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.619 3.611 0 O-C-N 127.447 2.967 . . . . 0.0 108.964 -174.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -70.27 99.45 1.54 Allowed 'General case' 0 CA--C 1.583 2.216 0 N-CA-C 103.426 -2.805 . . . . 0.0 103.426 163.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.327 0.3 OUTLIER -53.86 -30.12 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.931 1 N-CA-C 123.007 4.447 . . . . 0.0 123.007 176.248 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.51 -44.33 62.54 Favored 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 117.211 2.3 . . . . 0.0 117.211 171.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.345 10.0 mm-40 -59.16 -42.26 90.32 Favored 'General case' 0 CA--C 1.625 3.842 0 N-CA-C 120.199 3.407 . . . . 0.0 120.199 162.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.5 mt -139.91 52.19 1.7 Allowed 'General case' 1 CA--C 1.641 4.48 0 CA-C-O 125.067 2.365 . . . . 0.0 109.691 -153.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -76.2 -41.58 49.03 Favored 'General case' 0 C--O 1.252 1.211 0 CA-C-O 113.886 -2.959 . . . . 0.0 118.624 172.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.92 -57.0 11.77 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 128.622 3.701 . . . . 0.0 115.128 173.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.9 p -58.12 -50.19 79.02 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.881 1 N-CA-C 123.413 4.598 . . . . 0.0 123.413 163.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.92 -55.65 2.44 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 117.581 2.437 . . . . 0.0 117.581 163.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -47.06 -54.78 9.55 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-O 112.975 -3.393 . . . . 0.0 117.938 164.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.472 2.1 pt-20 -49.14 -51.02 34.72 Favored 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 175.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -58.64 -49.85 76.01 Favored 'General case' 0 C--N 1.377 1.783 0 CA-C-O 113.072 -3.346 . . . . 0.0 115.166 165.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.8 t30 157.34 84.51 0.0 OUTLIER 'General case' 0 CA--C 1.599 2.837 0 CA-C-N 123.545 2.884 . . . . 0.0 106.283 153.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.0 t -150.91 94.34 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.186 -2.254 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 -164.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.59 -5.91 56.75 Favored 'General case' 0 N--CA 1.526 3.364 0 C-N-CA 131.237 3.815 . . . . 0.0 112.742 164.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.57 131.59 19.27 Favored 'General case' 0 CA--C 1.604 3.049 0 O-C-N 125.547 1.779 . . . . 0.0 114.196 -152.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.77 115.09 32.25 Favored Pre-proline 0 N--CA 1.512 2.637 0 CA-C-O 114.86 -2.495 . . . . 0.0 111.499 152.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -150.71 143.97 0.0 OUTLIER 'Cis proline' 1 C--N 1.443 5.502 1 CA-C-O 133.537 5.557 . . . . 0.0 120.212 -4.353 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.4 m -126.57 135.04 50.74 Favored 'General case' 0 C--O 1.279 2.609 0 CA-C-N 109.185 -3.643 . . . . 0.0 106.311 -140.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -132.39 106.25 7.77 Favored 'General case' 0 N--CA 1.499 2.003 0 CA-C-N 108.814 -3.812 . . . . 0.0 108.867 -165.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.382 17.6 mt -109.9 146.24 15.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 1 C-N-CA 132.357 4.263 . . . . 0.0 106.647 -171.541 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -136.57 104.72 5.65 Favored 'General case' 0 CA--C 1.582 2.177 0 CA-C-N 108.575 -3.92 . . . . 0.0 104.577 -159.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.48 125.76 35.19 Favored 'General case' 0 CA--C 1.586 2.339 2 N-CA-C 96.019 -5.549 . . . . 0.0 96.019 -166.035 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -118.28 172.3 7.54 Favored 'General case' 0 CA--C 1.568 1.663 1 CA-C-N 106.328 -4.942 . . . . 0.0 111.398 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.333 5.1 p-10 -59.7 47.45 0.01 OUTLIER 'General case' 0 CA--C 1.626 3.868 0 N-CA-C 119.636 3.199 . . . . 0.0 119.636 148.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.26 30.93 0.19 Allowed Glycine 0 N--CA 1.513 3.785 0 O-C-N 127.733 3.145 . . . . 0.0 112.01 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.474 48.0 mtmt 59.57 -151.22 0.42 Allowed 'General case' 1 CA--C 1.64 4.412 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -165.552 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.5 tp -72.87 89.92 1.42 Allowed 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.367 22.8 m -63.63 -29.24 46.75 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 N-CA-C 118.756 2.872 . . . . 0.0 118.756 171.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -165.82 170.04 14.32 Favored 'General case' 0 CA--C 1.573 1.828 0 CA-C-N 121.685 2.039 . . . . 0.0 112.718 -177.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -165.95 130.96 2.35 Favored 'General case' 0 CA--C 1.576 1.954 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 176.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 87.1 m -145.74 157.63 43.92 Favored 'General case' 0 CA--C 1.619 3.61 0 N-CA-C 102.717 -3.068 . . . . 0.0 102.717 -172.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.278 0.2 OUTLIER -150.17 107.9 0.43 Allowed 'Isoleucine or valine' 0 C--O 1.292 3.32 0 N-CA-C 100.939 -3.726 . . . . 0.0 100.939 -168.405 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -179.27 -158.01 20.77 Favored Glycine 0 C--N 1.393 3.705 0 CA-C-N 114.023 -1.444 . . . . 0.0 109.968 174.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -167.34 116.67 0.83 Allowed 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -161.57 122.18 2.69 Favored 'General case' 0 CA--C 1.602 2.969 0 C-N-CA 127.299 2.24 . . . . 0.0 108.44 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.326 38.2 pttt -45.28 -33.4 2.39 Favored 'General case' 1 CA--C 1.639 4.402 1 N-CA-C 123.065 4.469 . . . . 0.0 123.065 170.908 . . . . . . . . 4 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -105.55 -47.07 4.01 Favored 'General case' 0 CA--C 1.561 1.402 1 C-N-CA 132.397 4.279 . . . . 0.0 114.652 -176.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -49.72 -43.57 38.1 Favored Glycine 0 CA--C 1.544 1.879 0 O-C-N 126.449 2.343 . . . . 0.0 117.917 173.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.429 34.4 tp -62.3 -60.73 9.24 Favored Pre-proline 0 N--CA 1.501 2.09 1 CA-C-O 111.588 -4.053 . . . . 0.0 110.899 171.756 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . 0.252 32.3 Cg_exo -44.49 -41.88 14.06 Favored 'Trans proline' 1 CA--C 1.608 4.18 0 C-N-CA 124.836 3.691 . . . . 0.0 114.82 170.897 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.322 37.0 m -58.2 -47.23 84.11 Favored 'General case' 0 CA--C 1.593 2.627 0 N-CA-C 118.517 2.784 . . . . 0.0 118.517 174.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.305 49.6 tp -60.13 -61.36 2.66 Favored 'General case' 0 CA--C 1.564 1.482 0 CA-C-N 108.899 -3.773 . . . . 0.0 113.075 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 51.7 t -58.32 -36.86 60.12 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.614 0 N-CA-C 117.689 2.477 . . . . 0.0 117.689 169.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.09 -57.34 4.55 Favored 'General case' 0 CA--C 1.562 1.423 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 162.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -52.33 -49.27 64.61 Favored 'General case' 0 CA--C 1.579 2.064 0 N-CA-C 120.672 3.582 . . . . 0.0 120.672 166.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -60.6 -59.66 5.04 Favored 'General case' 0 CA--C 1.602 2.943 0 C-N-CA 126.71 2.004 . . . . 0.0 112.446 171.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.551 ' HB1' HD21 ' A' ' 57' ' ' ASN . . . -46.09 -45.12 16.11 Favored 'General case' 0 CA--C 1.581 2.135 0 N-CA-C 118.778 2.881 . . . . 0.0 118.778 171.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.9 m -57.38 -58.78 6.74 Favored 'General case' 1 N--CA 1.559 5.016 0 N-CA-C 116.2 1.926 . . . . 0.0 116.2 167.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.568 1.642 1 CA-C-O 128.934 4.207 . . . . 0.0 117.106 167.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.521 3.077 0 CA-C-O 122.454 1.121 . . . . 0.0 109.165 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -159.19 139.97 12.57 Favored 'General case' 0 CA--C 1.605 3.088 0 CA-C-O 127.589 3.566 . . . . 0.0 109.96 -174.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -161.03 166.8 27.6 Favored 'General case' 0 CA--C 1.576 1.968 0 O-C-N 117.514 -3.241 . . . . 0.0 112.168 -175.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.01 174.99 51.14 Favored Glycine 1 N--CA 1.532 5.067 1 O-C-N 129.167 4.042 . . . . 0.0 111.486 163.035 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -159.28 126.52 4.74 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 125.197 2.427 . . . . 0.0 107.733 -171.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.3 t -84.47 124.46 39.85 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.392 0 C-N-CA 129.792 3.237 . . . . 0.0 111.001 170.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.41 0.3 OUTLIER -126.13 114.52 38.96 Favored 'Isoleucine or valine' 1 CA--C 1.63 4.027 0 C-N-CA 130.268 3.427 . . . . 0.0 112.601 -179.629 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.41 137.38 52.97 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 118.388 -2.695 . . . . 0.0 112.557 165.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.1 m -149.28 131.11 15.13 Favored 'General case' 0 N--CA 1.493 1.724 1 CA-C-O 128.517 4.008 . . . . 0.0 106.696 -161.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -145.79 -15.38 0.48 Allowed 'General case' 0 CA--C 1.577 2.006 0 O-C-N 118.585 -2.572 . . . . 0.0 117.652 -160.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.9 p -149.79 -170.67 3.7 Favored 'General case' 0 CA--C 1.595 2.681 0 C-N-CA 125.205 1.402 . . . . 0.0 108.223 -163.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.256 8.4 p -61.09 -12.19 5.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 N-CA-C 120.17 3.396 . . . . 0.0 120.17 161.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.59 -54.69 33.89 Favored 'General case' 0 N--CA 1.523 3.182 0 O-C-N 119.869 -1.77 . . . . 0.0 114.825 163.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.488 ' HG1' HD13 ' A' ' 61' ' ' LEU 0.268 1.1 t -48.43 -41.82 30.48 Favored 'General case' 0 CA--C 1.578 2.052 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 165.047 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -52.59 -50.54 62.82 Favored 'General case' 0 CA--C 1.567 1.621 0 O-C-N 118.214 -2.804 . . . . 0.0 112.222 173.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.297 29.6 mtmt -48.28 -51.56 25.22 Favored 'General case' 0 CA--C 1.599 2.831 0 N-CA-C 118.306 2.706 . . . . 0.0 118.306 164.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -65.33 -60.55 2.85 Favored 'General case' 0 N--CA 1.535 3.782 0 N-CA-C 115.219 1.563 . . . . 0.0 115.219 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.4 ' O ' HD13 ' A' ' 29' ' ' ILE . 40.7 t-80 -51.49 -62.25 1.74 Allowed 'General case' 0 CA--C 1.591 2.546 0 C-N-CA 126.956 2.102 . . . . 0.0 114.265 176.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.89 -58.76 6.28 Favored 'General case' 0 CA--C 1.62 3.648 0 N-CA-C 120.128 3.381 . . . . 0.0 120.128 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.311 52.3 mm-40 -54.6 -47.08 73.82 Favored 'General case' 0 N--CA 1.509 2.507 0 CA-C-O 115.251 -2.309 . . . . 0.0 114.266 168.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -52.35 -60.19 3.52 Favored 'General case' 0 CA--C 1.617 3.527 0 CA-C-N 122.109 2.231 . . . . 0.0 116.078 165.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.36 -86.61 0.02 OUTLIER Glycine 0 N--CA 1.491 2.313 0 C-N-CA 125.129 1.347 . . . . 0.0 116.174 -177.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -75.84 99.39 4.45 Favored 'General case' 0 C--O 1.196 -1.737 0 CA-C-O 125.083 2.373 . . . . 0.0 105.103 163.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.16 -48.46 0.48 Allowed Glycine 1 CA--C 1.623 6.797 0 C-N-CA 126.912 2.196 . . . . 0.0 112.994 161.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m -92.91 122.71 35.56 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 128.447 2.699 . . . . 0.0 105.174 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -58.87 77.51 0.01 OUTLIER 'General case' 0 N--CA 1.521 3.109 0 CA-C-O 125.471 2.558 . . . . 0.0 113.233 169.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -165.05 171.35 14.0 Favored 'General case' 0 C--O 1.273 2.301 0 CA-C-N 113.522 -1.672 . . . . 0.0 109.358 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.2 tp -94.26 150.58 20.17 Favored 'General case' 0 CA--C 1.604 3.028 0 CA-C-O 126.633 3.111 . . . . 0.0 107.394 165.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.4 HD13 ' O ' ' A' ' 18' ' ' HIS 0.292 1.0 OUTLIER -139.97 144.18 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.856 1 CA-C-N 107.802 -4.272 . . . . 0.0 102.718 178.683 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.7 t -146.02 136.06 18.02 Favored 'Isoleucine or valine' 0 C--O 1.249 1.076 0 O-C-N 126.727 2.517 . . . . 0.0 106.808 -171.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 6.0 p -152.48 116.7 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.403 2.917 0 CA-C-O 125.121 2.391 . . . . 0.0 113.857 -164.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -78.41 129.61 35.14 Favored 'General case' 0 CA--C 1.569 1.689 0 CA-C-O 125.982 2.801 . . . . 0.0 106.797 168.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -114.85 103.55 11.06 Favored 'General case' 0 CA--C 1.594 2.66 1 N-CA-C 99.425 -4.287 . . . . 0.0 99.425 169.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.1 t -148.81 150.51 33.17 Favored 'General case' 0 C--O 1.264 1.857 0 N-CA-C 101.054 -3.684 . . . . 0.0 101.054 -169.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.52 152.49 22.17 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 128.175 2.59 . . . . 0.0 111.088 172.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.6 t -56.13 -39.06 71.67 Favored 'General case' 0 CA--C 1.582 2.18 0 N-CA-C 117.867 2.544 . . . . 0.0 117.867 158.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -62.07 71.84 0.02 OUTLIER 'General case' 0 C--O 1.193 -1.89 0 N-CA-C 117.367 2.358 . . . . 0.0 117.367 154.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.0 t -168.63 96.67 0.55 Allowed Pre-proline 1 N--CA 1.544 4.273 0 C-N-CA 127.514 2.325 . . . . 0.0 112.914 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -65.38 -44.38 9.03 Favored 'Trans proline' 0 N--CA 1.531 3.695 1 C-N-CA 126.924 5.083 . . . . 0.0 112.613 165.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -46.78 -49.71 11.85 Favored 'Trans proline' 0 CA--C 1.583 2.928 0 N-CA-C 121.851 3.751 . . . . 0.0 121.851 165.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.454 60.4 m -70.79 -18.02 62.76 Favored 'General case' 0 N--CA 1.508 2.434 1 N-CA-C 121.822 4.008 . . . . 0.0 121.822 159.749 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -55.84 -53.88 51.37 Favored 'General case' 0 N--CA 1.52 3.047 0 O-C-N 118.419 -2.676 . . . . 0.0 114.859 160.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.323 24.9 ptt? -59.85 -40.37 88.34 Favored 'General case' 0 N--CA 1.525 3.291 0 N-CA-C 118.707 2.855 . . . . 0.0 118.707 163.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.593 1.0 OUTLIER -52.18 -35.07 18.72 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.202 0 N-CA-C 119.853 3.279 . . . . 0.0 119.853 163.405 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.268 . . -48.59 -73.0 0.12 Allowed Pre-proline 0 N--CA 1.524 3.27 0 O-C-N 118.765 -2.46 . . . . 0.0 111.167 169.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -46.58 -33.61 13.53 Favored 'Trans proline' 0 N--CA 1.501 1.963 1 N-CA-C 125.946 5.325 . . . . 0.0 125.946 162.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.527 19.4 mm -51.49 -63.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.378 1.813 0 N-CA-C 119.086 2.995 . . . . 0.0 119.086 163.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.33 68.3 t80 -46.7 -42.84 17.2 Favored 'General case' 0 CA--C 1.605 3.093 0 CA-C-N 110.413 -3.085 . . . . 0.0 115.063 171.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.333 . . -56.52 -52.77 63.51 Favored 'General case' 0 CA--C 1.612 3.33 1 N-CA-C 124.608 5.04 . . . . 0.0 124.608 160.214 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -59.6 -51.42 69.89 Favored 'General case' 0 C--N 1.378 1.836 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 171.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.281 1.2 tm? -51.98 -40.35 60.79 Favored 'General case' 0 N--CA 1.509 2.488 0 N-CA-C 117.079 2.251 . . . . 0.0 117.079 161.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.43 -36.57 73.82 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 117.884 2.55 . . . . 0.0 117.884 166.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -66.06 -34.96 79.26 Favored 'General case' 1 N--CA 1.552 4.651 0 N-CA-C 117.798 2.518 . . . . 0.0 117.798 167.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -69.68 -28.76 66.12 Favored 'General case' 0 CA--C 1.574 1.866 0 CA-C-N 110.877 -2.874 . . . . 0.0 116.528 172.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -137.04 102.8 9.05 Favored Pre-proline 0 CA--C 1.627 3.916 0 C-N-CA 131.486 3.914 . . . . 0.0 111.77 -159.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.353 0.3 OUTLIER -64.37 -38.67 33.02 Favored 'Trans proline' 0 C--N 1.41 3.796 2 N-CA-C 131.61 7.504 . . . . 0.0 131.61 175.442 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.587 HD21 ' HB1' ' A' ' 111' ' ' ALA 0.286 9.4 p30 -65.11 2.08 0.85 Allowed 'General case' 0 N--CA 1.515 2.815 0 C-N-CA 131.337 3.855 . . . . 0.0 115.875 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.306 7.4 p -144.49 102.13 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.609 3.218 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -148.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . 0.33 11.9 m -62.89 154.56 29.81 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 118.794 2.887 . . . . 0.0 118.794 149.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -145.79 132.61 20.07 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 112.324 -2.217 . . . . 0.0 107.365 -165.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.488 HD13 ' HG1' ' A' ' 14' ' ' THR . 0.7 OUTLIER -153.51 151.38 29.75 Favored 'General case' 0 C--N 1.365 1.259 0 N-CA-C 104.315 -2.476 . . . . 0.0 104.315 -165.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.286 44.7 pttt -144.77 113.67 6.84 Favored 'General case' 0 C--O 1.262 1.713 0 C-N-CA 125.755 1.622 . . . . 0.0 109.961 -170.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.5 t -89.46 113.34 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.75 1 C-N-CA 132.585 4.354 . . . . 0.0 110.898 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -59.46 104.72 0.29 Allowed 'General case' 0 N--CA 1.519 3.006 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 151.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.9 p -56.09 -43.6 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.724 0 C-N-CA 125.255 1.422 . . . . 0.0 114.757 174.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -45.7 -38.03 6.44 Favored 'General case' 0 N--CA 1.519 2.986 0 CA-C-N 122.221 2.282 . . . . 0.0 113.518 172.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -63.2 -48.07 79.89 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 125.388 1.475 . . . . 0.0 114.26 166.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.7 mt -139.45 52.91 1.72 Allowed 'General case' 0 CA--C 1.581 2.141 0 C-N-CA 129.12 2.968 . . . . 0.0 111.362 -157.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -73.74 -49.23 26.55 Favored 'General case' 0 CA--C 1.582 2.205 0 C-N-CA 128.754 2.821 . . . . 0.0 110.016 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.93 -57.07 7.05 Favored 'General case' 0 C--N 1.397 2.651 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.412 12.3 p -52.44 -50.36 39.24 Favored 'Isoleucine or valine' 0 C--N 1.378 1.829 0 N-CA-C 121.001 3.704 . . . . 0.0 121.001 161.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.92 -49.66 29.34 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 117.751 -3.093 . . . . 0.0 112.901 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -53.67 -53.6 49.68 Favored 'General case' 0 N--CA 1.503 2.181 0 CA-C-O 113.312 -3.232 . . . . 0.0 109.943 170.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.798 1.2 pt-20 -44.61 -58.59 2.93 Favored 'General case' 0 C--O 1.275 2.431 0 N-CA-C 120.234 3.42 . . . . 0.0 120.234 175.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -58.0 -43.29 86.55 Favored 'General case' 0 N--CA 1.497 1.924 1 O-C-N 115.357 -4.59 . . . . 0.0 115.221 171.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.292 8.9 t30 146.53 86.73 0.0 OUTLIER 'General case' 0 CA--C 1.614 3.416 0 CA-C-O 126.083 2.849 . . . . 0.0 103.486 146.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . 0.387 7.4 t -134.45 73.78 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.611 3.321 0 CA-C-N 112.323 -2.217 . . . . 0.0 110.636 -174.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.297 0.0 OUTLIER -64.47 -19.74 65.75 Favored 'General case' 0 CA--C 1.587 2.387 0 N-CA-C 120.804 3.631 . . . . 0.0 120.804 148.184 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.04 141.49 23.37 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 124.044 1.878 . . . . 0.0 110.295 -160.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.06 119.51 73.46 Favored Pre-proline 0 N--CA 1.499 1.987 0 CA-C-N 110.164 -3.198 . . . . 0.0 106.241 171.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.341 9.0 Cg_endo -157.5 149.85 0.0 OUTLIER 'Cis proline' 0 C--N 1.399 3.235 0 N-CA-C 120.362 3.178 . . . . 0.0 120.362 -3.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.2 m -118.9 112.46 19.68 Favored 'General case' 0 N--CA 1.496 1.839 2 CA-C-N 103.725 -6.125 . . . . 0.0 105.95 -142.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -93.21 120.21 33.24 Favored 'General case' 0 C--O 1.302 3.817 0 O-C-N 127.492 2.995 . . . . 0.0 106.263 169.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -108.29 144.62 16.56 Favored 'Isoleucine or valine' 1 CA--C 1.633 4.156 0 C-N-CA 130.541 3.537 . . . . 0.0 109.095 179.535 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -128.66 111.52 13.26 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 100.771 -3.788 . . . . 0.0 100.771 -161.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.35 127.09 20.45 Favored 'General case' 0 CA--C 1.566 1.568 1 CA-C-O 131.603 5.478 . . . . 0.0 103.658 -169.421 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -128.09 176.26 7.77 Favored 'General case' 0 C--O 1.282 2.809 1 O-C-N 114.914 -4.866 . . . . 0.0 110.366 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -60.81 41.04 0.01 OUTLIER 'General case' 1 N--CA 1.545 4.281 0 CA-C-O 127.121 3.343 . . . . 0.0 119.809 157.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.48 44.65 0.39 Allowed Glycine 0 N--CA 1.493 2.442 0 CA-C-N 112.787 -2.006 . . . . 0.0 111.6 177.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.297 51.6 mtmt 50.9 -157.06 0.11 Allowed 'General case' 0 N--CA 1.527 3.385 0 C-N-CA 125.428 1.491 . . . . 0.0 113.114 -172.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.4 tp -66.76 92.96 0.23 Allowed 'General case' 0 CA--C 1.594 2.657 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 170.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.4 m -68.31 -30.16 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 1 N-CA-C 122.585 4.291 . . . . 0.0 122.585 170.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -168.0 164.23 13.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.047 -1.658 . . . . 0.0 113.222 -177.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . 0.337 18.0 pttm -157.01 139.16 14.56 Favored 'General case' 0 CA--C 1.609 3.215 0 C-N-CA 126.09 1.756 . . . . 0.0 110.033 -173.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 38.1 m -162.52 149.02 12.98 Favored 'General case' 0 C--N 1.288 -2.079 0 CA-C-O 124.622 2.153 . . . . 0.0 109.435 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.82 99.39 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.514 2.737 0 CA-C-O 126.75 3.166 . . . . 0.0 109.41 -163.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -166.05 -149.43 5.91 Favored Glycine 0 C--O 1.273 2.55 0 O-C-N 117.923 -2.986 . . . . 0.0 115.575 -177.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -176.83 102.65 0.06 Allowed 'General case' 0 CA--C 1.556 1.195 0 CA-C-N 122.935 3.367 . . . . 0.0 109.03 177.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -165.74 132.35 2.7 Favored 'General case' 0 CA--C 1.58 2.122 0 CA-C-N 120.982 1.719 . . . . 0.0 109.133 -173.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.431 36.5 pttt -47.39 -66.38 0.41 Allowed 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 119.145 3.017 . . . . 0.0 119.145 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.398 9.4 p-10 -56.89 -43.15 81.01 Favored 'General case' 0 CA--C 1.591 2.557 0 N-CA-C 116.669 2.1 . . . . 0.0 116.669 167.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -39.83 -81.36 0.03 OUTLIER Glycine 1 N--CA 1.529 4.854 0 N-CA-C 117.949 1.94 . . . . 0.0 117.949 174.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.298 57.8 tp -37.69 -57.34 1.58 Allowed Pre-proline 0 N--CA 1.508 2.45 1 N-CA-C 123.891 4.774 . . . . 0.0 123.891 172.75 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -43.31 -47.72 8.74 Favored 'Trans proline' 0 CA--C 1.588 3.222 0 C-N-CA 124.11 3.207 . . . . 0.0 119.369 160.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.472 89.7 m -52.08 -60.26 3.41 Favored 'General case' 0 N--CA 1.52 3.036 0 N-CA-C 116.75 2.13 . . . . 0.0 116.75 170.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 45.8 tp -53.41 -59.66 4.29 Favored 'General case' 0 CA--C 1.573 1.837 0 C-N-CA 128.267 2.627 . . . . 0.0 115.088 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.282 84.0 t -45.64 -55.38 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.517 2.91 0 O-C-N 117.681 -3.137 . . . . 0.0 116.04 166.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.69 -52.93 10.14 Favored 'General case' 0 C--N 1.368 1.396 0 N-CA-C 119.254 3.057 . . . . 0.0 119.254 169.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -46.13 -52.15 12.72 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 117.208 2.299 . . . . 0.0 117.208 161.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -57.81 -71.18 0.11 Allowed 'General case' 0 CA--C 1.615 3.476 0 N-CA-C 117.515 2.413 . . . . 0.0 117.515 174.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.587 ' HB1' HD21 ' A' ' 57' ' ' ASN 0.274 . . -55.9 -49.75 72.57 Favored 'General case' 0 CA--C 1.586 2.355 0 N-CA-C 119.324 3.083 . . . . 0.0 119.324 177.398 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.335 11.9 m -48.72 -68.14 0.21 Allowed 'General case' 0 N--CA 1.51 2.526 0 O-C-N 127.088 2.742 . . . . 0.0 113.1 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.608 0 N-CA-C 121.175 3.768 . . . . 0.0 121.175 167.442 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.834 0 CA-C-O 122.479 1.133 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -158.98 89.54 0.94 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 119.506 -1.996 . . . . 0.0 110.126 -171.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -164.0 166.64 21.34 Favored 'General case' 0 N--CA 1.514 2.757 0 O-C-N 118.691 -2.506 . . . . 0.0 115.396 -174.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.92 -176.5 42.49 Favored Glycine 0 CA--C 1.549 2.161 0 CA-C-N 112.199 -2.273 . . . . 0.0 114.159 153.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -156.86 157.45 34.94 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-O 125.108 2.385 . . . . 0.0 111.201 -170.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.9 t -125.16 121.67 61.3 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.626 0 C-N-CA 129.122 2.969 . . . . 0.0 105.969 -161.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.1 125.29 51.31 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.125 0 N-CA-C 102.469 -3.16 . . . . 0.0 102.469 -165.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.86 141.15 51.27 Favored 'General case' 0 C--O 1.246 0.892 0 N-CA-C 119.335 3.087 . . . . 0.0 119.335 163.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.446 ' SG ' HD13 ' A' ' 61' ' ' LEU . 62.2 m -146.67 132.57 19.1 Favored 'General case' 0 CA--C 1.595 2.686 0 CA-C-O 127.395 3.474 . . . . 0.0 106.565 -166.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -141.46 -4.32 1.13 Allowed 'General case' 0 N--CA 1.507 2.423 0 CA-C-N 108.717 -3.856 . . . . 0.0 119.046 -170.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.3 p -149.77 -169.37 3.36 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 119.465 -2.022 . . . . 0.0 112.265 -157.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.359 14.5 p -56.89 -13.97 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.539 3.984 1 N-CA-C 121.917 4.043 . . . . 0.0 121.917 153.137 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.265 76.5 m-20 -48.49 -48.62 37.85 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 118.637 2.829 . . . . 0.0 118.637 169.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.294 6.6 t -63.26 -31.27 72.38 Favored 'General case' 0 CA--C 1.603 3.018 0 CA-C-N 111.824 -2.444 . . . . 0.0 116.059 169.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . 0.253 19.4 m95 -54.25 -41.79 69.19 Favored 'General case' 0 CA--C 1.593 2.611 0 O-C-N 118.685 -2.51 . . . . 0.0 117.131 165.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -61.88 -54.86 36.24 Favored 'General case' 2 N--CA 1.54 4.075 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 159.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.318 33.8 mt-10 -56.28 -63.67 1.11 Allowed 'General case' 0 CA--C 1.575 1.915 1 N-CA-C 126.739 5.829 . . . . 0.0 126.739 175.661 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -53.06 -62.71 1.48 Allowed 'General case' 0 CA--C 1.592 2.593 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 173.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.406 1.1 t80 -50.52 -58.85 4.82 Favored 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 174.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.369 39.2 mm-40 -61.07 -60.38 3.86 Favored 'General case' 0 CA--C 1.571 1.78 0 C-N-CA 127.985 2.514 . . . . 0.0 115.142 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -47.26 -56.91 5.86 Favored 'General case' 0 N--CA 1.5 2.025 0 CA-C-N 122.86 2.573 . . . . 0.0 112.099 167.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.59 -95.31 0.01 OUTLIER Glycine 1 CA--C 1.61 5.974 1 C-N-CA 130.723 4.011 . . . . 0.0 111.592 -177.976 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -70.53 100.33 1.79 Allowed 'General case' 0 C--N 1.383 2.055 0 CA-C-O 122.817 1.294 . . . . 0.0 110.527 157.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.34 -41.31 0.51 Allowed Glycine 0 CA--C 1.552 2.4 0 CA-C-N 112.671 -2.059 . . . . 0.0 114.517 160.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.8 m -106.65 124.77 50.11 Favored 'General case' 0 CA--C 1.605 3.071 0 O-C-N 129.314 3.597 . . . . 0.0 106.843 -172.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -65.62 75.65 0.07 Allowed 'General case' 0 N--CA 1.506 2.36 0 CA-C-N 113.498 -1.683 . . . . 0.0 114.582 167.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.284 0.1 OUTLIER -158.25 164.02 36.87 Favored 'General case' 0 CA--C 1.627 3.908 0 N-CA-C 102.334 -3.21 . . . . 0.0 102.334 -178.526 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.34 31.8 tp -89.31 152.85 21.31 Favored 'General case' 0 C--O 1.266 1.94 0 CA-C-N 110.195 -3.184 . . . . 0.0 111.966 161.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.332 1.4 pt -148.87 133.78 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 C-N-CA 129.843 3.257 . . . . 0.0 104.229 -175.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -139.14 140.25 38.45 Favored 'Isoleucine or valine' 0 CA--C 1.629 3.999 0 CA-C-O 126.717 3.151 . . . . 0.0 102.924 -173.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.7 p -150.96 109.16 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.452 0 CA-C-O 124.279 1.99 . . . . 0.0 110.329 -164.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -66.68 136.95 56.3 Favored 'General case' 0 CA--C 1.573 1.86 0 C-N-CA 127.228 2.211 . . . . 0.0 114.218 158.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -135.54 93.61 2.98 Favored 'General case' 0 CA--C 1.561 1.394 0 N-CA-C 102.682 -3.081 . . . . 0.0 102.682 -169.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.1 t -135.72 151.63 50.34 Favored 'General case' 0 C--O 1.272 2.238 0 CA-C-O 127.9 3.714 . . . . 0.0 103.722 -161.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.86 128.58 33.52 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 110.866 -2.879 . . . . 0.0 114.295 158.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.298 8.0 t -47.32 -33.9 6.24 Favored 'General case' 0 N--CA 1.517 2.885 0 N-CA-C 120.021 3.341 . . . . 0.0 120.021 172.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 54.1 p-90 -83.91 90.24 7.36 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 128.577 2.751 . . . . 0.0 105.309 166.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.496 ' SG ' ' HD2' ' A' ' 40' ' ' PRO . 53.4 t -170.06 95.92 0.48 Allowed Pre-proline 0 CA--C 1.565 1.524 0 CA-C-O 113.46 -3.162 . . . . 0.0 110.772 174.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -53.03 -42.25 65.91 Favored 'Trans proline' 1 CA--C 1.633 5.458 0 N-CA-C 120.074 3.067 . . . . 0.0 120.074 159.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.496 ' HD2' ' SG ' ' A' ' 38' ' ' CYS . 24.2 Cg_exo -53.74 -50.54 13.4 Favored 'Trans proline' 1 CA--C 1.611 4.336 0 C-N-CA 124.294 3.329 . . . . 0.0 116.027 168.756 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.636 66.7 m -62.66 -28.06 69.67 Favored 'General case' 0 CA--C 1.582 2.178 1 N-CA-C 124.791 5.108 . . . . 0.0 124.791 160.256 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -56.16 -51.62 67.33 Favored 'General case' 0 CA--C 1.572 1.818 0 CA-C-O 112.466 -3.635 . . . . 0.0 115.802 163.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.354 11.6 ptt? -63.18 -35.16 79.37 Favored 'General case' 0 N--CA 1.502 2.139 1 N-CA-C 122.394 4.22 . . . . 0.0 122.394 159.484 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.581 1.0 OUTLIER -54.58 -38.37 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 166.415 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.261 . . -50.21 -56.81 15.52 Favored Pre-proline 0 C--O 1.186 -2.254 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 165.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_exo -48.52 -40.94 37.39 Favored 'Trans proline' 0 N--CA 1.507 2.311 2 O-C-N 113.173 -4.172 . . . . 0.0 121.304 161.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.38 40.4 mm -51.06 -55.57 7.08 Favored 'Isoleucine or valine' 0 C--N 1.392 2.422 1 O-C-N 115.215 -4.678 . . . . 0.0 115.412 162.292 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.31 -31.97 70.78 Favored 'General case' 0 C--N 1.395 2.546 0 C-N-CA 127.527 2.331 . . . . 0.0 116.199 171.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.36 . . -68.5 -55.49 11.57 Favored 'General case' 0 C--O 1.276 2.498 0 N-CA-C 117.535 2.42 . . . . 0.0 117.535 163.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.256 7.1 tm-20 -50.83 -58.26 6.39 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 118.254 -2.779 . . . . 0.0 116.919 167.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.5 -47.35 14.16 Favored 'General case' 0 CA--C 1.571 1.768 0 O-C-N 127.358 2.911 . . . . 0.0 115.262 169.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.01 -44.27 74.39 Favored 'General case' 0 CA--C 1.559 1.304 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 168.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -56.4 -38.44 71.52 Favored 'General case' 0 N--CA 1.504 2.24 0 CA-C-O 127.891 3.71 . . . . 0.0 117.652 168.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -62.07 -30.07 70.74 Favored 'General case' 0 CA--C 1.608 3.184 1 O-C-N 116.164 -4.085 . . . . 0.0 118.359 166.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -136.97 98.51 10.48 Favored Pre-proline 1 CA--C 1.633 4.165 0 C-N-CA 127.489 2.315 . . . . 0.0 113.688 -156.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.516 0.1 OUTLIER -66.37 -35.26 31.94 Favored 'Trans proline' 0 N--CA 1.512 2.59 2 C-N-CA 131.969 8.446 . . . . 0.0 129.911 -179.294 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.447 7.4 p30 -69.71 -2.82 12.92 Favored 'General case' 0 N--CA 1.503 2.217 0 C-N-CA 128.34 2.656 . . . . 0.0 114.511 -176.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.353 2.6 p -140.57 118.54 9.91 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.141 0 CA-C-O 115.927 -1.987 . . . . 0.0 108.716 -142.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.5 m -88.83 146.84 24.73 Favored 'General case' 0 CA--C 1.597 2.769 0 C-N-CA 130.122 3.369 . . . . 0.0 102.602 174.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -133.35 126.92 32.4 Favored 'General case' 0 C--O 1.266 1.957 0 C-N-CA 130.901 3.68 . . . . 0.0 109.975 -176.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.446 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.433 0.4 OUTLIER -149.43 139.8 22.35 Favored 'General case' 0 N--CA 1.533 3.69 0 O-C-N 120.619 -1.3 . . . . 0.0 109.731 -164.215 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -138.36 120.33 15.49 Favored 'General case' 0 CA--C 1.577 2.013 0 N-CA-C 104.98 -2.23 . . . . 0.0 104.98 -156.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.9 t -127.26 119.77 53.4 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.02 0 N-CA-C 101.449 -3.537 . . . . 0.0 101.449 -157.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -63.71 108.22 1.37 Allowed 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 111.923 -2.399 . . . . 0.0 110.7 161.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.262 0.8 OUTLIER -60.05 -37.93 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.916 0 C-N-CA 125.799 1.64 . . . . 0.0 114.781 178.272 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -48.57 -47.86 39.3 Favored 'General case' 0 CA--C 1.565 1.551 0 N-CA-C 119.699 3.222 . . . . 0.0 119.699 168.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -67.28 -34.55 77.63 Favored 'General case' 0 CA--C 1.58 2.114 0 N-CA-C 121.043 3.72 . . . . 0.0 121.043 159.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.6 mt -141.83 61.29 1.46 Allowed 'General case' 0 CA--C 1.59 2.509 0 CA-C-O 125.472 2.558 . . . . 0.0 110.854 -163.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -80.0 -41.18 26.35 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 112.394 -2.184 . . . . 0.0 115.623 172.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.335 . . -54.52 -59.52 4.59 Favored 'General case' 0 CA--C 1.605 3.077 0 CA-C-N 121.455 1.934 . . . . 0.0 114.92 175.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.288 7.7 p -56.65 -57.93 7.48 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.672 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 169.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.25 -45.37 2.9 Favored 'General case' 0 N--CA 1.536 3.867 0 N-CA-C 120.401 3.482 . . . . 0.0 120.401 168.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -54.41 -54.1 45.26 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 127.241 2.216 . . . . 0.0 111.382 168.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.71 -51.22 40.2 Favored 'General case' 0 C--N 1.415 3.443 0 C-N-CA 128.702 2.801 . . . . 0.0 115.207 171.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.459 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 37.7 m95 -55.01 -57.06 13.25 Favored 'General case' 0 CA--C 1.601 2.925 0 CA-C-N 123.973 3.078 . . . . 0.0 109.942 171.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 75' ' ' TRP . 5.4 t30 154.73 89.5 0.0 OUTLIER 'General case' 1 N--CA 1.562 5.147 0 O-C-N 127.383 2.927 . . . . 0.0 103.725 155.625 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 t -151.13 67.71 0.06 OUTLIER 'Isoleucine or valine' 1 N--CA 1.546 4.356 0 CA-C-O 124.652 2.168 . . . . 0.0 107.268 -168.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.34 2.0 pp20? -68.28 -8.53 40.29 Favored 'General case' 0 CA--C 1.599 2.856 0 N-CA-C 120.579 3.548 . . . . 0.0 120.579 149.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.92 139.71 38.11 Favored 'General case' 0 CA--C 1.582 2.186 0 C-N-CA 130.129 3.372 . . . . 0.0 112.523 -165.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.16 121.79 73.98 Favored Pre-proline 0 N--CA 1.532 3.627 0 O-C-N 128.417 3.573 . . . . 0.0 105.373 162.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.429 25.7 Cg_endo -151.94 134.34 0.0 OUTLIER 'Cis proline' 1 N--CA 1.543 4.405 0 N-CA-C 120.181 3.108 . . . . 0.0 120.181 -12.608 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . 0.39 7.3 m -97.97 132.94 43.1 Favored 'General case' 0 C--O 1.176 -2.786 3 CA-C-N 105.508 -5.315 . . . . 0.0 110.935 -154.437 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -111.85 125.1 53.66 Favored 'General case' 0 C--O 1.289 3.15 1 CA-C-N 107.62 -4.355 . . . . 0.0 108.231 162.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.1 mt -123.28 133.66 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.437 1 O-C-N 134.729 7.518 . . . . 0.0 105.803 -176.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -114.73 112.23 22.5 Favored 'General case' 0 CA--C 1.603 2.996 0 N-CA-C 100.352 -3.944 . . . . 0.0 100.352 -165.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.33 118.57 19.6 Favored 'General case' 0 CA--C 1.622 3.731 1 N-CA-C 99.99 -4.078 . . . . 0.0 99.99 -177.044 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.25 45.8 tttt -102.15 174.51 5.89 Favored 'General case' 0 CA--C 1.569 1.702 0 C-N-CA 131.08 3.752 . . . . 0.0 112.277 175.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.268 4.2 p-10 -53.83 45.06 0.0 OUTLIER 'General case' 0 CA--C 1.623 3.76 0 N-CA-C 120.153 3.39 . . . . 0.0 120.153 151.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -173.67 47.1 0.15 Allowed Glycine 1 CA--C 1.601 5.418 0 C-N-CA 125.627 1.584 . . . . 0.0 115.684 176.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.354 9.9 mptt 51.2 -167.42 0.04 OUTLIER 'General case' 0 CA--C 1.596 2.728 0 C-N-CA 127.04 2.136 . . . . 0.0 110.755 -169.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.1 tp -53.46 109.94 0.5 Allowed 'General case' 0 N--CA 1.51 2.575 0 O-C-N 117.764 -3.085 . . . . 0.0 111.698 175.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.53 26.2 m -77.44 -53.13 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.614 0 CA-C-N 108.688 -3.869 . . . . 0.0 112.456 167.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -166.15 172.05 11.67 Favored 'General case' 1 N--CA 1.557 4.893 0 O-C-N 117.684 -3.135 . . . . 0.0 108.659 -172.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -161.97 136.87 7.11 Favored 'General case' 0 CA--C 1.615 3.479 0 CA-C-N 112.215 -2.266 . . . . 0.0 110.475 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 92.7 m -144.31 159.49 42.61 Favored 'General case' 0 CA--C 1.601 2.94 0 C-N-CA 127.13 2.172 . . . . 0.0 107.514 -176.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.324 0.2 OUTLIER -151.72 106.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 100.797 -3.779 . . . . 0.0 100.797 -164.392 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -176.5 -163.45 28.91 Favored Glycine 1 CA--C 1.591 4.799 1 CA-C-O 128.656 4.476 . . . . 0.0 105.93 172.532 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.97 93.8 1.78 Allowed 'General case' 0 CA--C 1.566 1.579 1 CA-C-N 107.368 -4.416 . . . . 0.0 109.353 -176.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -156.06 116.06 3.65 Favored 'General case' 0 C--O 1.182 -2.471 0 CA-C-O 126.601 3.096 . . . . 0.0 106.594 -167.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.291 56.5 pttt -50.77 -51.53 49.54 Favored 'General case' 0 N--CA 1.52 3.042 0 CA-C-N 108.966 -3.743 . . . . 0.0 118.51 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.35 -44.38 25.26 Favored 'General case' 0 C--O 1.289 3.177 0 C-N-CA 125.602 1.561 . . . . 0.0 115.168 170.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -44.66 -56.53 5.64 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 120.244 2.858 . . . . 0.0 120.244 175.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.302 60.9 tp -53.67 -53.23 59.6 Favored Pre-proline 0 CA--C 1.592 2.575 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 174.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -49.01 -48.74 17.21 Favored 'Trans proline' 1 CA--C 1.608 4.183 0 CA-C-N 123.622 2.329 . . . . 0.0 117.604 159.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.334 31.8 m -54.29 -60.5 3.25 Favored 'General case' 0 N--CA 1.532 3.672 0 C-N-CA 124.4 1.08 . . . . 0.0 109.812 -179.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 27.1 tp -50.78 -56.88 10.02 Favored 'General case' 0 CA--C 1.62 3.652 0 C-N-CA 126.573 1.949 . . . . 0.0 114.467 173.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.4 t -55.13 -46.16 77.48 Favored 'Isoleucine or valine' 1 N--CA 1.547 4.415 0 CA-C-O 116.097 -1.906 . . . . 0.0 115.746 171.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.53 -57.52 6.04 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 168.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -53.97 -36.57 63.02 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 117.788 2.514 . . . . 0.0 117.788 169.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.26 7.6 m-70 -65.15 -59.55 3.98 Favored 'General case' 0 C--N 1.379 1.853 0 O-C-N 117.395 -3.316 . . . . 0.0 115.288 170.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.81 -52.07 61.49 Favored 'General case' 0 CA--C 1.601 2.931 0 N-CA-C 116.148 1.907 . . . . 0.0 116.148 170.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 20.4 m -52.53 -45.02 66.11 Favored 'General case' 0 CA--C 1.592 2.56 0 N-CA-C 117.21 2.3 . . . . 0.0 117.21 169.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.625 3.861 0 CA-C-O 125.17 2.414 . . . . 0.0 113.263 169.074 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.706 0 CA-C-O 118.613 -0.708 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -162.33 94.83 0.91 Allowed 'General case' 0 CA--C 1.573 1.829 0 O-C-N 126.065 2.103 . . . . 0.0 107.474 -176.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -175.7 159.95 2.37 Favored 'General case' 0 N--CA 1.539 3.998 0 CA-C-O 124.588 2.137 . . . . 0.0 115.44 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.64 -163.26 10.77 Favored Glycine 0 CA--C 1.557 2.657 2 N-CA-C 99.715 -5.354 . . . . 0.0 99.715 -173.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -152.36 150.58 29.86 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 118.688 -2.654 . . . . 0.0 107.128 -165.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.76 123.44 68.27 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.438 0 CA-C-N 109.534 -3.484 . . . . 0.0 104.364 174.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.52 129.9 64.72 Favored 'Isoleucine or valine' 1 CA--C 1.629 4.006 0 C-N-CA 127.918 2.487 . . . . 0.0 110.649 -175.263 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.27 118.22 13.78 Favored 'General case' 0 CA--C 1.581 2.164 0 N-CA-C 118.17 2.656 . . . . 0.0 118.17 174.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 73.0 m -122.6 135.03 54.51 Favored 'General case' 0 CA--C 1.609 3.214 1 C-N-CA 131.745 4.018 . . . . 0.0 108.793 -167.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -142.67 -24.8 0.64 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 119.454 3.131 . . . . 0.0 119.454 -166.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.7 p -147.86 -166.63 2.58 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.031 -1.668 . . . . 0.0 109.963 -160.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.8 p -57.92 -24.73 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.744 0 CA-C-O 126.04 2.829 . . . . 0.0 116.873 166.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -49.22 -35.84 18.4 Favored 'General case' 0 CA--C 1.581 2.159 1 O-C-N 116.257 -4.027 . . . . 0.0 121.226 166.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.373 0.6 OUTLIER -61.29 -44.34 97.38 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 160.612 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -44.77 -51.39 9.43 Favored 'General case' 0 N--CA 1.527 3.403 0 N-CA-C 117.819 2.526 . . . . 0.0 117.819 168.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -56.44 -39.02 72.43 Favored 'General case' 0 CA--C 1.606 3.119 0 N-CA-C 116.749 2.129 . . . . 0.0 116.749 164.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -73.97 -64.14 1.07 Allowed 'General case' 0 C--O 1.214 -0.786 0 C-N-CA 126.066 1.746 . . . . 0.0 111.526 174.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -49.58 -60.26 3.02 Favored 'General case' 0 N--CA 1.493 1.705 1 N-CA-C 122.434 4.235 . . . . 0.0 122.434 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -55.39 20.46 Favored 'General case' 0 CA--C 1.598 2.82 0 N-CA-C 118.39 2.737 . . . . 0.0 118.39 173.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.592 1.1 mm-40 -61.0 -43.13 99.33 Favored 'General case' 0 N--CA 1.522 3.134 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 175.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.423 31.9 mmtp -59.28 -63.3 1.35 Allowed 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 119.953 3.316 . . . . 0.0 119.953 162.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.76 -68.34 1.15 Allowed Glycine 1 CA--C 1.606 5.733 0 CA-C-N 113.287 -1.779 . . . . 0.0 116.69 177.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm -83.83 88.14 7.1 Favored 'General case' 0 C--O 1.276 2.486 0 CA-C-N 113.284 -1.458 . . . . 0.0 110.518 157.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.26 -35.42 0.17 Allowed Glycine 0 CA--C 1.554 2.51 0 CA-C-N 108.928 -3.76 . . . . 0.0 117.75 169.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.9 m -120.01 139.55 52.33 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 129.919 3.288 . . . . 0.0 104.969 -168.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -72.63 80.4 1.1 Allowed 'General case' 0 N--CA 1.518 2.928 0 CA-C-N 112.041 -2.345 . . . . 0.0 110.644 165.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -167.51 163.68 14.79 Favored 'General case' 0 C--N 1.395 2.584 0 C-N-CA 128.755 2.822 . . . . 0.0 110.532 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 35.6 tp -86.22 142.38 28.63 Favored 'General case' 0 CA--C 1.585 2.303 0 C-N-CA 127.983 2.513 . . . . 0.0 109.154 161.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.292 0.9 OUTLIER -145.17 126.67 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.615 0 N-CA-C 102.241 -3.244 . . . . 0.0 102.241 -172.425 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 t -129.46 151.79 36.33 Favored 'Isoleucine or valine' 0 C--O 1.259 1.579 0 C-N-CA 130.775 3.63 . . . . 0.0 114.867 -169.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 p -156.36 122.11 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 C-N-CA 126.331 1.852 . . . . 0.0 108.053 -170.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -81.87 108.31 15.29 Favored 'General case' 0 CA--C 1.607 3.168 0 CA-C-N 111.807 -2.451 . . . . 0.0 116.419 157.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -85.43 102.42 13.43 Favored 'General case' 0 CA--C 1.594 2.651 0 C-N-CA 129.284 3.034 . . . . 0.0 105.012 168.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.8 t -151.22 144.71 24.9 Favored 'General case' 0 N--CA 1.515 2.804 0 N-CA-C 103.319 -2.845 . . . . 0.0 103.319 -168.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.262 . . -73.22 151.26 41.51 Favored 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 111.404 -2.635 . . . . 0.0 115.633 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.9 t -56.39 -39.87 73.67 Favored 'General case' 0 N--CA 1.52 3.061 0 O-C-N 117.596 -3.19 . . . . 0.0 118.297 154.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 61.5 p-90 -66.95 61.09 0.05 OUTLIER 'General case' 0 N--CA 1.503 2.206 0 C-N-CA 127.701 2.4 . . . . 0.0 114.476 161.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 28.6 t -156.38 79.96 3.85 Favored Pre-proline 0 C--N 1.406 3.047 0 CA-C-N 112.303 -2.226 . . . . 0.0 110.427 -172.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -52.63 -48.56 21.34 Favored 'Trans proline' 0 N--CA 1.513 2.674 1 C-N-CA 128.904 6.402 . . . . 0.0 114.496 161.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.298 71.9 Cg_exo -44.43 -50.85 7.59 Favored 'Trans proline' 0 C--N 1.39 2.735 0 C-N-CA 124.54 3.493 . . . . 0.0 118.573 168.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 38' ' ' CYS 0.347 5.6 m -71.39 -22.06 61.93 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 121.35 3.833 . . . . 0.0 121.35 166.202 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.29 56.8 tttp -63.0 -34.63 77.97 Favored 'General case' 0 CA--C 1.587 2.397 0 CA-C-N 120.376 1.444 . . . . 0.0 113.723 163.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.312 4.3 ptt? -67.92 -49.71 60.26 Favored 'General case' 1 N--CA 1.589 6.484 0 O-C-N 117.718 -3.114 . . . . 0.0 116.991 155.257 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.409 1.0 OUTLIER -50.73 -36.7 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.166 0 N-CA-C 118.392 2.738 . . . . 0.0 118.392 171.791 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.358 . . -44.68 -67.45 0.36 Allowed Pre-proline 0 N--CA 1.523 3.198 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 167.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -43.34 -43.03 10.56 Favored 'Trans proline' 0 C--O 1.252 1.22 1 N-CA-C 124.302 4.693 . . . . 0.0 124.302 156.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.276 38.4 mm -53.18 -63.87 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.604 3.023 0 O-C-N 118.564 -2.585 . . . . 0.0 113.855 167.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -51.33 -27.98 11.05 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 115.69 -2.1 . . . . 0.0 113.224 171.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.14 -48.77 50.1 Favored 'General case' 0 CA--C 1.581 2.166 0 C-N-CA 129.768 3.227 . . . . 0.0 114.663 164.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.279 3.7 tm-20 -49.43 -57.22 7.36 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-N 123.215 2.734 . . . . 0.0 114.404 166.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.417 ' O ' HD22 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -49.87 -48.58 51.25 Favored 'General case' 0 N--CA 1.428 -1.562 0 CA-C-O 115.262 -2.304 . . . . 0.0 116.231 166.257 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.65 -48.99 28.53 Favored 'General case' 0 CA--C 1.581 2.16 0 N-CA-C 120.263 3.431 . . . . 0.0 120.263 167.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -56.13 -44.57 79.3 Favored 'General case' 0 N--CA 1.508 2.464 0 CA-C-O 115.606 -2.14 . . . . 0.0 115.188 166.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -54.57 -27.27 37.63 Favored 'General case' 1 CA--C 1.646 4.667 0 N-CA-C 119.734 3.235 . . . . 0.0 119.734 169.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -136.2 78.64 45.58 Favored Pre-proline 0 CA--C 1.556 1.18 0 CA-C-N 111.031 -2.804 . . . . 0.0 107.891 -159.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.251 18.5 Cg_endo -63.51 -19.89 68.64 Favored 'Trans proline' 0 CA--C 1.594 3.522 2 C-N-CA 127.913 5.742 . . . . 0.0 126.262 163.255 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.333 8.3 p30 -65.07 -4.54 4.91 Favored 'General case' 0 N--CA 1.531 3.601 0 C-N-CA 127.16 2.184 . . . . 0.0 116.63 173.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 28' ' ' LEU 0.414 3.4 p -145.89 110.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.417 3.515 0 CA-C-N 114.398 -1.274 . . . . 0.0 109.542 -154.035 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 98.2 m -67.47 154.49 41.26 Favored 'General case' 0 CA--C 1.578 2.03 0 O-C-N 118.555 -2.59 . . . . 0.0 112.808 160.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -139.0 130.33 26.95 Favored 'General case' 0 C--O 1.267 2.022 1 C-N-CA 131.97 4.108 . . . . 0.0 115.704 178.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.38 0.7 OUTLIER -137.29 157.46 46.57 Favored 'General case' 0 CA--C 1.582 2.173 0 C-N-CA 127.342 2.257 . . . . 0.0 109.891 -170.724 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -153.58 104.73 2.75 Favored 'General case' 0 N--CA 1.504 2.264 1 CA-C-O 128.613 4.054 . . . . 0.0 102.094 -163.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 40.8 t -80.34 115.49 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.189 1 CA-C-N 107.617 -4.356 . . . . 0.0 111.609 172.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -67.83 105.9 2.11 Favored 'General case' 0 N--CA 1.524 3.252 0 CA-C-O 123.334 1.54 . . . . 0.0 107.871 148.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.387 0.3 OUTLIER -63.83 -14.31 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.218 1 N-CA-C 122.169 4.137 . . . . 0.0 122.169 176.211 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -51.78 -58.7 5.66 Favored 'General case' 0 C--O 1.201 -1.489 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 166.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -64.51 -19.54 65.66 Favored 'General case' 0 CA--C 1.616 3.49 0 CA-C-O 113.989 -2.91 . . . . 0.0 117.141 169.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.5 mt -145.92 40.31 1.16 Allowed 'General case' 0 CA--C 1.582 2.189 0 C-N-CA 127.112 2.165 . . . . 0.0 113.501 -158.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.303 25.5 pttm -63.58 -54.66 32.58 Favored 'General case' 0 CA--C 1.597 2.757 0 C-N-CA 126.931 2.092 . . . . 0.0 116.442 163.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.02 -57.11 2.11 Favored 'General case' 1 N--CA 1.551 4.576 0 O-C-N 117.32 -3.362 . . . . 0.0 112.575 178.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.432 ' HA ' ' HG2' ' A' ' 74' ' ' GLU 0.263 9.9 p -61.42 -48.83 87.06 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.247 0 C-N-CA 128.694 2.798 . . . . 0.0 115.325 170.059 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.46 -55.97 2.66 Favored 'General case' 0 N--CA 1.511 2.608 0 N-CA-C 116.777 2.14 . . . . 0.0 116.777 170.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -59.68 -52.97 63.21 Favored 'General case' 0 CA--C 1.588 2.418 0 CA-C-N 111.706 -2.497 . . . . 0.0 111.287 173.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.432 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 2.0 pt-20 -52.1 -50.72 61.06 Favored 'General case' 0 N--CA 1.531 3.577 0 CA-C-N 123.243 2.747 . . . . 0.0 115.453 177.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.333 5.7 m95 -57.37 -45.67 84.2 Favored 'General case' 0 C--N 1.385 2.144 0 CA-C-N 125.079 3.581 . . . . 0.0 116.951 167.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.2 t30 148.04 90.65 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.08 0 O-C-N 126.349 2.281 . . . . 0.0 105.818 147.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.3 t -146.9 85.17 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 CA-C-O 125.74 2.686 . . . . 0.0 105.49 -170.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.74 3.36 19.61 Favored 'General case' 0 N--CA 1.513 2.718 0 N-CA-C 119.207 3.04 . . . . 0.0 119.207 156.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -160.12 129.63 5.18 Favored 'General case' 0 C--N 1.395 2.568 0 CA-C-O 122.758 1.266 . . . . 0.0 114.022 -169.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . 0.317 0.0 OUTLIER -62.65 116.57 24.42 Favored Pre-proline 0 CA--C 1.612 3.358 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.492 154.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -151.58 143.69 0.0 OUTLIER 'Cis proline' 2 CA--C 1.617 4.627 1 N-CA-C 127.848 6.057 . . . . 0.0 127.848 -4.497 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.8 m -133.33 125.77 29.94 Favored 'General case' 0 C--O 1.256 1.417 0 CA-C-O 125.774 2.702 . . . . 0.0 108.311 -136.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -104.02 130.86 51.7 Favored 'General case' 0 CA--C 1.583 2.218 1 CA-C-N 106.485 -4.87 . . . . 0.0 104.305 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -134.72 143.38 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.635 0 N-CA-C 102.16 -3.274 . . . . 0.0 102.16 -166.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -137.2 116.61 12.76 Favored 'General case' 0 CA--C 1.594 2.668 0 N-CA-C 100.442 -3.91 . . . . 0.0 100.442 -153.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.267 0.2 OUTLIER -128.37 128.63 44.89 Favored 'General case' 0 N--CA 1.511 2.591 0 C-N-CA 129.685 3.194 . . . . 0.0 103.695 -176.094 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -96.89 165.21 12.2 Favored 'General case' 0 C--O 1.194 -1.825 0 CA-C-N 109.148 -3.66 . . . . 0.0 113.148 174.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.253 3.5 p30 -63.9 52.33 0.02 OUTLIER 'General case' 1 N--CA 1.54 4.064 0 O-C-N 119.626 -1.921 . . . . 0.0 114.279 143.827 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -177.08 35.29 0.08 OUTLIER Glycine 0 CA--C 1.575 3.837 0 C-N-CA 128.781 3.086 . . . . 0.0 116.189 174.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.4 mptt 71.54 176.11 0.28 Allowed 'General case' 2 N--CA 1.554 4.774 0 C-N-CA 128.329 2.652 . . . . 0.0 111.189 -177.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . 0.258 19.4 tp -45.94 98.21 0.01 OUTLIER 'General case' 0 C--O 1.29 3.236 1 O-C-N 129.179 4.049 . . . . 0.0 112.197 175.473 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.385 12.0 m -70.9 -71.53 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.266 1.95 0 C-N-CA 126.995 2.118 . . . . 0.0 112.456 172.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . 0.267 5.2 t70 -153.41 177.52 10.81 Favored 'General case' 0 CA--C 1.566 1.593 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -163.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.9 pttm -164.17 159.35 20.13 Favored 'General case' 1 N--CA 1.541 4.12 0 C-N-CA 126.053 1.741 . . . . 0.0 112.557 -174.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 37.9 m -160.72 133.14 6.15 Favored 'General case' 0 CA--C 1.562 1.417 0 N-CA-C 103.024 -2.954 . . . . 0.0 103.024 -177.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.32 1.8 p -113.03 98.45 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.628 3.959 0 C-N-CA 129.675 3.19 . . . . 0.0 108.015 -174.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -176.42 -161.68 25.83 Favored Glycine 1 N--CA 1.534 5.22 0 CA-C-O 123.992 1.885 . . . . 0.0 113.45 172.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -163.16 101.96 0.97 Allowed 'General case' 0 N--CA 1.532 3.635 0 CA-C-N 112.719 -1.741 . . . . 0.0 108.25 -174.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -156.82 128.55 7.16 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 127.548 3.03 . . . . 0.0 106.357 -168.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -56.34 -61.33 2.47 Favored 'General case' 0 CA--C 1.597 2.751 0 C-N-CA 128.447 2.699 . . . . 0.0 116.779 -174.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -71.67 -44.44 64.27 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 118.701 2.852 . . . . 0.0 118.701 157.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -35.83 -53.61 1.14 Allowed Glycine 2 CA--C 1.604 5.627 0 N-CA-C 121.289 3.276 . . . . 0.0 121.289 172.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.293 13.5 tp -60.39 -56.58 33.92 Favored Pre-proline 0 CA--C 1.563 1.46 1 CA-C-O 111.568 -4.063 . . . . 0.0 112.494 168.779 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -48.49 -32.85 21.71 Favored 'Trans proline' 1 CA--C 1.619 4.743 2 CA-C-N 129.892 4.569 . . . . 0.0 117.829 165.841 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 49.1 m -60.81 -62.69 1.68 Allowed 'General case' 0 N--CA 1.519 2.986 0 C-N-CA 125.467 1.507 . . . . 0.0 112.458 172.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.3 tp -51.51 -59.65 4.02 Favored 'General case' 0 CA--C 1.563 1.459 1 O-C-N 129.908 4.505 . . . . 0.0 116.242 175.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.259 91.9 t -48.68 -50.7 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.539 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 167.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.68 -54.06 20.83 Favored 'General case' 0 N--CA 1.51 2.541 0 CA-C-O 123.411 1.577 . . . . 0.0 111.573 174.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . 0.339 88.5 mttt -49.81 -50.13 46.16 Favored 'General case' 0 C--O 1.2 -1.538 0 N-CA-C 120.224 3.416 . . . . 0.0 120.224 166.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -61.95 -46.89 87.29 Favored 'General case' 0 CA--C 1.605 3.059 0 N-CA-C 118.543 2.794 . . . . 0.0 118.543 172.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.3 -54.93 21.86 Favored 'General case' 0 CA--C 1.593 2.611 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.311 11.1 m -53.73 -47.2 70.82 Favored 'General case' 0 N--CA 1.505 2.314 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 171.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.285 2.945 0 C-N-CA 127.758 2.423 . . . . 0.0 112.421 158.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.826 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -146.53 83.87 1.61 Allowed 'General case' 0 C--N 1.373 1.6 0 O-C-N 117.97 -2.956 . . . . 0.0 106.769 -157.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -153.64 153.31 32.06 Favored 'General case' 0 C--O 1.278 2.56 0 CA-C-O 126.037 2.827 . . . . 0.0 116.193 -161.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.11 -166.66 18.6 Favored Glycine 0 C--O 1.253 1.295 0 CA-C-N 112.5 -2.136 . . . . 0.0 112.303 151.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -149.01 110.58 4.49 Favored 'General case' 0 N--CA 1.503 2.204 0 C-N-CA 125.445 1.498 . . . . 0.0 107.3 -169.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.3 t -85.95 112.56 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 C-N-CA 128.324 2.65 . . . . 0.0 108.614 173.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.58 128.03 50.58 Favored 'Isoleucine or valine' 1 CA--C 1.632 4.103 0 O-C-N 117.816 -3.053 . . . . 0.0 106.794 -162.411 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.17 145.28 47.56 Favored 'General case' 0 CA--C 1.581 2.165 0 C-N-CA 126.124 1.77 . . . . 0.0 115.285 166.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.558 ' SG ' ' HB2' ' A' ' 61' ' ' LEU . 96.6 m -150.51 141.88 23.34 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 103.113 -2.921 . . . . 0.0 103.113 -167.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -147.64 -15.17 0.38 Allowed 'General case' 0 CA--C 1.602 2.981 0 N-CA-C 118.074 2.62 . . . . 0.0 118.074 -168.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.1 p -146.08 -173.97 4.31 Favored 'General case' 0 CA--C 1.596 2.723 0 O-C-N 118.311 -2.743 . . . . 0.0 109.706 -154.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.17 -13.52 12.56 Favored 'Isoleucine or valine' 0 CA--C 1.62 3.655 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 160.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.273 18.1 m-20 -60.76 -39.9 90.48 Favored 'General case' 0 CA--C 1.578 2.024 0 N-CA-C 118.063 2.616 . . . . 0.0 118.063 169.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.89 -38.45 90.95 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 118.87 2.915 . . . . 0.0 118.87 163.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -47.6 -53.85 13.51 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-O 116.861 -1.542 . . . . 0.0 113.39 160.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -50.49 -33.82 22.76 Favored 'General case' 0 CA--C 1.608 3.2 0 N-CA-C 121.163 3.764 . . . . 0.0 121.163 164.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -76.28 -58.16 3.44 Favored 'General case' 0 CA--C 1.583 2.242 0 C-N-CA 130.706 3.602 . . . . 0.0 115.713 173.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.325 1.8 t-80 -51.75 -62.03 1.88 Allowed 'General case' 0 CA--C 1.571 1.785 0 O-C-N 127.122 2.764 . . . . 0.0 115.689 176.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -67.28 -55.89 12.06 Favored 'General case' 0 CA--C 1.577 1.986 0 O-C-N 127.596 3.06 . . . . 0.0 117.373 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -58.39 -48.89 79.18 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 123.647 2.93 . . . . 0.0 117.122 170.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -53.76 -61.66 2.16 Favored 'General case' 0 N--CA 1.525 3.303 0 O-C-N 118.652 -2.53 . . . . 0.0 115.822 161.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.92 -86.94 0.01 OUTLIER Glycine 0 C--N 1.377 2.848 0 N-CA-C 118.534 2.173 . . . . 0.0 118.534 174.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.69 97.98 3.34 Favored 'General case' 0 CA--C 1.579 2.058 0 O-C-N 127.127 2.31 . . . . 0.0 110.551 157.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.38 -58.96 0.13 Allowed Glycine 0 N--CA 1.488 2.163 0 CA-C-N 111.789 -2.46 . . . . 0.0 107.263 173.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.252 56.0 m -116.24 135.21 54.1 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 130.126 3.371 . . . . 0.0 111.424 -178.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -57.57 77.99 0.01 OUTLIER 'General case' 0 C--N 1.409 3.168 0 C-N-CA 127.984 2.514 . . . . 0.0 111.332 171.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -156.12 145.93 21.15 Favored 'General case' 0 C--O 1.273 2.331 0 C-N-CA 126.428 1.891 . . . . 0.0 108.952 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 20.0 tp -71.28 153.49 42.36 Favored 'General case' 0 CA--C 1.608 3.182 0 CA-C-O 125.288 2.47 . . . . 0.0 110.815 156.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.326 1.5 pp -149.28 126.41 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.911 0 N-CA-C 102.632 -3.099 . . . . 0.0 102.632 -175.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -136.03 112.09 12.52 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.895 0 C-N-CA 128.829 2.852 . . . . 0.0 103.755 -156.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.305 0.4 OUTLIER -130.07 101.93 6.52 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.31 0 CA-C-N 111.695 -2.502 . . . . 0.0 105.97 -156.727 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -65.66 150.67 48.09 Favored 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 130.316 3.446 . . . . 0.0 110.969 168.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -147.19 96.02 2.65 Favored 'General case' 0 C--O 1.283 2.818 1 N-CA-C 99.844 -4.132 . . . . 0.0 99.844 -174.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.491 ' HG1' ' HG ' ' A' ' 41' ' ' CYS . 14.9 t -145.53 154.54 42.3 Favored 'General case' 1 N--CA 1.541 4.097 0 CA-C-O 127.206 3.384 . . . . 0.0 103.469 -173.14 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.42 145.62 25.21 Favored 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 130.005 3.322 . . . . 0.0 110.999 169.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.8 t -54.63 -38.5 66.91 Favored 'General case' 0 C--O 1.204 -1.323 0 O-C-N 128.966 3.916 . . . . 0.0 118.309 168.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 28.2 p-90 -66.78 78.76 0.12 Allowed 'General case' 0 CA--C 1.58 2.121 0 N-CA-C 117.083 2.253 . . . . 0.0 117.083 162.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.8 t -167.02 89.78 0.75 Allowed Pre-proline 0 C--O 1.267 2.013 0 CA-C-O 117.049 -1.453 . . . . 0.0 110.697 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -48.82 -43.15 35.78 Favored 'Trans proline' 0 CA--C 1.599 3.752 0 N-CA-C 118.029 2.28 . . . . 0.0 118.029 161.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.376 25.8 Cg_exo -40.64 -59.21 0.8 Allowed 'Trans proline' 0 C--N 1.393 2.911 1 N-CA-C 123.05 4.212 . . . . 0.0 123.05 164.426 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.491 ' HG ' ' HG1' ' A' ' 34' ' ' THR . 0.9 OUTLIER -71.35 -14.9 62.34 Favored 'General case' 0 CA--C 1.583 2.214 0 N-CA-C 120.443 3.497 . . . . 0.0 120.443 163.474 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.32 20.8 tttp -57.9 -41.45 82.63 Favored 'General case' 0 CA--C 1.602 2.946 0 N-CA-C 121.344 3.831 . . . . 0.0 121.344 154.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.353 16.6 ptt? -67.82 -40.8 83.78 Favored 'General case' 0 N--CA 1.535 3.812 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 159.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.466 0.9 OUTLIER -56.83 -44.01 81.1 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.2 0 N-CA-C 117.364 2.357 . . . . 0.0 117.364 169.761 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.39 . . -41.29 -60.15 1.92 Allowed Pre-proline 0 N--CA 1.52 3.054 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 170.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -46.54 -47.21 16.02 Favored 'Trans proline' 0 CA--C 1.549 1.236 1 C-N-CA 125.883 4.388 . . . . 0.0 119.465 161.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.371 44.9 mm -54.76 -42.54 62.5 Favored 'Isoleucine or valine' 0 C--N 1.402 2.89 0 C-N-CA 126.516 1.926 . . . . 0.0 115.498 172.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -36.68 82.31 Favored 'General case' 0 N--CA 1.532 3.675 0 C-N-CA 129.757 3.223 . . . . 0.0 113.535 171.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.463 . . -62.3 -52.75 62.42 Favored 'General case' 0 CA--C 1.576 1.942 0 N-CA-C 121.384 3.846 . . . . 0.0 121.384 165.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.6 -57.2 8.75 Favored 'General case' 0 C--O 1.257 1.471 0 N-CA-C 117.263 2.319 . . . . 0.0 117.263 162.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.435 HD11 HG11 ' A' ' 107' ' ' VAL 0.339 1.5 tm? -48.74 -45.55 39.78 Favored 'General case' 0 CA--C 1.595 2.675 0 N-CA-C 117.898 2.555 . . . . 0.0 117.898 165.038 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.26 -41.62 50.65 Favored 'General case' 0 CA--C 1.594 2.652 0 CA-C-N 122.667 2.485 . . . . 0.0 117.388 168.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -63.99 -38.56 91.52 Favored 'General case' 0 CA--C 1.58 2.104 0 C-N-CA 128.902 2.881 . . . . 0.0 116.821 169.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -61.16 -38.16 85.47 Favored 'General case' 0 CA--C 1.598 2.808 0 N-CA-C 119.578 3.177 . . . . 0.0 119.578 167.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -129.39 78.35 75.91 Favored Pre-proline 1 CA--C 1.655 5.0 0 CA-C-N 111.557 -2.565 . . . . 0.0 116.093 -156.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -60.37 -20.34 62.67 Favored 'Trans proline' 1 CA--C 1.66 6.808 2 N-CA-C 129.056 6.522 . . . . 0.0 129.056 179.196 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.259 9.8 p30 -81.57 16.07 1.87 Allowed 'General case' 0 C--O 1.187 -2.201 0 C-N-CA 129.967 3.307 . . . . 0.0 118.402 175.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 28' ' ' LEU 0.469 4.3 p -151.64 118.08 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 120.151 -1.593 . . . . 0.0 109.522 -160.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.3 m -85.52 158.52 20.14 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 125.216 2.436 . . . . 0.0 105.497 172.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -150.61 124.83 9.42 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-O 124.763 2.221 . . . . 0.0 108.314 -164.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.558 ' HB2' ' SG ' ' A' ' 9' ' ' CYS 0.417 1.6 pp -146.27 156.15 43.17 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 125.826 2.727 . . . . 0.0 108.236 -170.238 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -146.25 108.94 4.52 Favored 'General case' 0 N--CA 1.507 2.404 0 CA-C-O 124.449 2.071 . . . . 0.0 108.86 -168.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.459 HG13 HD12 ' A' ' 68' ' ' LEU . 66.3 t -83.15 120.57 34.69 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.097 0 CA-C-N 110.61 -2.995 . . . . 0.0 107.284 177.398 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -70.97 106.81 3.79 Favored 'General case' 0 CA--C 1.586 2.347 0 CA-C-N 110.727 -2.942 . . . . 0.0 109.639 159.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.504 HG11 ' SD ' ' A' ' 80' ' ' MET 0.468 0.3 OUTLIER -55.23 -37.68 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 N-CA-C 119.552 3.167 . . . . 0.0 119.552 -179.641 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.77 -40.09 72.15 Favored 'General case' 0 C--O 1.246 0.896 0 C-N-CA 127.51 2.324 . . . . 0.0 112.777 175.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.8 -37.55 87.15 Favored 'General case' 0 C--N 1.365 1.242 0 N-CA-C 121.401 3.852 . . . . 0.0 121.401 165.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.459 HD12 HG13 ' A' ' 63' ' ' VAL . 38.3 mt -148.32 43.4 1.03 Allowed 'General case' 0 CA--C 1.601 2.925 0 CA-C-O 126.291 2.948 . . . . 0.0 116.535 -162.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -63.49 -46.51 85.82 Favored 'General case' 0 C--O 1.261 1.671 0 CA-C-N 110.421 -3.081 . . . . 0.0 117.937 171.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.14 -62.02 1.76 Allowed 'General case' 0 CA--C 1.599 2.863 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 174.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.365 5.5 p -50.74 -55.08 7.64 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.811 0 N-CA-C 119.406 3.113 . . . . 0.0 119.406 166.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.84 -56.7 10.96 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 113.762 -1.563 . . . . 0.0 113.631 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -54.73 -43.52 72.71 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 112.211 -2.268 . . . . 0.0 111.205 172.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.543 0.0 OUTLIER -41.78 -59.18 1.75 Allowed 'General case' 1 N--CA 1.542 4.156 0 N-CA-C 120.514 3.524 . . . . 0.0 120.514 168.557 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.348 10.0 m95 -53.31 -52.13 60.11 Favored 'General case' 0 CA--C 1.584 2.283 0 O-C-N 126.371 2.295 . . . . 0.0 115.22 166.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 23.7 t30 150.46 77.0 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 131.026 3.73 . . . . 0.0 107.962 151.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . 0.478 39.0 t -98.42 83.35 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.605 3.093 0 C-N-CA 129.314 3.046 . . . . 0.0 111.8 171.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.295 0.0 OUTLIER -63.01 -37.2 86.25 Favored 'General case' 0 N--CA 1.506 2.345 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 160.339 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.59 153.67 42.03 Favored 'General case' 0 C--O 1.258 1.507 0 CA-C-O 126.443 3.021 . . . . 0.0 110.01 -158.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.504 ' SD ' HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -73.61 109.65 7.08 Favored Pre-proline 0 C--N 1.385 2.125 1 CA-C-N 107.606 -4.361 . . . . 0.0 108.702 143.948 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.432 ' HG3' ' SG ' ' A' ' 41' ' ' CYS 0.286 58.8 Cg_endo -153.41 137.15 0.0 OUTLIER 'Cis proline' 0 CA--C 1.592 3.403 0 CA-C-O 129.602 3.918 . . . . 0.0 120.935 -5.164 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 m -101.07 135.56 42.33 Favored 'General case' 1 CA--C 1.661 5.233 2 C-N-CA 132.924 4.49 . . . . 0.0 104.077 -159.601 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -123.21 137.59 54.85 Favored 'General case' 0 C--N 1.399 2.738 0 CA-C-N 108.99 -3.732 . . . . 0.0 103.612 171.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.32 145.55 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 1 CA-C-N 107.948 -4.206 . . . . 0.0 106.982 -167.225 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -134.72 114.42 12.66 Favored 'General case' 0 N--CA 1.522 3.14 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 -154.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.84 120.77 24.18 Favored 'General case' 0 CA--C 1.609 3.242 1 N-CA-C 96.813 -5.255 . . . . 0.0 96.813 -171.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.335 50.9 tptt -101.2 177.9 4.81 Favored 'General case' 0 C--O 1.289 3.168 0 C-N-CA 127.526 2.331 . . . . 0.0 113.92 170.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -59.09 37.08 0.01 OUTLIER 'General case' 1 CA--C 1.653 4.937 0 N-CA-C 120.722 3.601 . . . . 0.0 120.722 147.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -159.46 35.31 0.47 Allowed Glycine 0 C--O 1.19 -2.629 0 N-CA-C 118.909 2.324 . . . . 0.0 118.909 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.28 7.8 mptt 68.82 -164.43 0.19 Allowed 'General case' 0 CA--C 1.583 2.218 0 C-N-CA 127.351 2.26 . . . . 0.0 111.244 -169.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.9 tp -69.97 95.9 0.99 Allowed 'General case' 0 C--N 1.398 2.679 0 C-N-CA 129.754 3.222 . . . . 0.0 111.837 173.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.263 20.4 m -70.15 -51.54 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.94 0 O-C-N 119.544 -1.972 . . . . 0.0 114.36 174.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -152.97 163.61 39.5 Favored 'General case' 0 CA--C 1.587 2.367 0 O-C-N 118.96 -2.338 . . . . 0.0 114.853 -161.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -163.18 123.11 2.22 Favored 'General case' 0 CA--C 1.587 2.386 0 O-C-N 125.986 2.054 . . . . 0.0 112.248 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.8 m -149.65 142.5 24.73 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 104.69 -2.337 . . . . 0.0 104.69 -171.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 p -135.24 106.95 7.18 Favored 'Isoleucine or valine' 0 C--N 1.258 -3.374 0 N-CA-C 102.606 -3.109 . . . . 0.0 102.606 -161.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 176.1 -163.26 32.59 Favored Glycine 0 C--N 1.379 2.946 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 170.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . 0.348 . . -165.32 106.73 0.78 Allowed 'General case' 0 N--CA 1.537 3.888 0 CA-C-O 124.203 1.954 . . . . 0.0 109.933 -176.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -155.85 131.17 9.49 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 125.967 1.707 . . . . 0.0 109.589 -175.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.28 50.5 pttt -41.75 -62.67 0.85 Allowed 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 120.444 3.498 . . . . 0.0 120.444 177.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.267 2.5 p-10 -62.21 -50.27 72.44 Favored 'General case' 0 N--CA 1.527 3.421 0 N-CA-C 121.549 3.907 . . . . 0.0 121.549 158.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -38.14 -64.09 0.85 Allowed Glycine 0 CA--C 1.566 3.219 0 N-CA-C 118.528 2.171 . . . . 0.0 118.528 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.307 60.1 tp -53.56 -56.14 27.9 Favored Pre-proline 0 CA--C 1.588 2.438 0 N-CA-C 117.993 2.59 . . . . 0.0 117.993 172.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -40.46 -43.2 4.09 Favored 'Trans proline' 0 CA--C 1.585 3.028 1 C-N-CA 125.304 4.003 . . . . 0.0 121.331 164.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.297 93.3 m -68.47 -49.85 56.76 Favored 'General case' 0 CA--C 1.597 2.766 0 O-C-N 127.938 3.274 . . . . 0.0 118.307 173.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.9 tp -53.65 -47.42 70.36 Favored 'General case' 1 N--CA 1.543 4.214 0 N-CA-C 119.41 3.115 . . . . 0.0 119.41 166.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.435 HG11 HD11 ' A' ' 51' ' ' LEU 0.363 57.7 t -61.36 -56.36 18.38 Favored 'Isoleucine or valine' 0 C--N 1.386 2.185 0 C-N-CA 130.087 3.355 . . . . 0.0 115.693 173.483 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.12 -49.81 50.57 Favored 'General case' 0 CA--C 1.582 2.179 0 N-CA-C 118.04 2.607 . . . . 0.0 118.04 169.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -53.27 -37.99 62.65 Favored 'General case' 0 CA--C 1.616 3.488 0 CA-C-O 124.027 1.87 . . . . 0.0 114.366 168.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.522 80.7 m-70 -66.82 -52.65 41.34 Favored 'General case' 0 CA--C 1.577 2.007 1 N-CA-C 123.113 4.486 . . . . 0.0 123.113 167.679 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.63 -37.78 76.65 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 119.565 3.172 . . . . 0.0 119.565 166.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 85.9 m -54.8 -75.28 0.03 OUTLIER 'General case' 1 CA--C 1.633 4.152 0 O-C-N 124.056 0.848 . . . . 0.0 112.315 158.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.971 0 C-N-CA 130.1 3.36 . . . . 0.0 119.082 172.17 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.58 2.109 0 CA-C-O 121.662 0.744 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -153.7 116.73 4.53 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 -169.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.36 12.0 pt-20 -155.41 161.22 41.05 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.474 1.509 . . . . 0.0 110.886 -174.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.99 165.79 37.62 Favored Glycine 1 CA--C 1.582 4.224 0 CA-C-N 111.998 -2.364 . . . . 0.0 114.638 155.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -152.51 117.4 5.12 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 123.897 1.808 . . . . 0.0 108.685 -164.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.4 t -84.48 118.42 31.65 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.705 0 C-N-CA 127.961 2.504 . . . . 0.0 106.312 174.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.274 0.3 OUTLIER -124.33 126.84 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.021 0 C-N-CA 131.022 3.729 . . . . 0.0 108.34 -175.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.76 142.82 58.0 Favored 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 121.393 3.849 . . . . 0.0 121.393 165.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.1 m -149.98 128.95 12.59 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 128.061 2.545 . . . . 0.0 108.783 -170.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -143.55 -17.04 0.63 Allowed 'General case' 0 CA--C 1.582 2.211 0 O-C-N 128.893 3.871 . . . . 0.0 115.928 -165.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.0 p -146.41 -175.56 4.83 Favored 'General case' 0 C--N 1.38 1.917 0 C-N-CA 127.741 2.416 . . . . 0.0 113.07 -160.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -52.75 -22.83 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.532 3.662 0 O-C-N 116.849 -3.657 . . . . 0.0 117.686 162.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.278 20.4 m-20 -44.56 -43.67 8.22 Favored 'General case' 0 N--CA 1.514 2.738 0 N-CA-C 118.475 2.768 . . . . 0.0 118.475 159.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.03 -28.3 68.76 Favored 'General case' 0 CA--C 1.578 2.02 0 N-CA-C 119.688 3.218 . . . . 0.0 119.688 163.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -56.65 -48.62 77.17 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 115.129 -2.367 . . . . 0.0 111.115 162.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.359 28.4 mtmt -55.98 -57.54 11.67 Favored 'General case' 0 N--CA 1.509 2.49 0 N-CA-C 118.414 2.746 . . . . 0.0 118.414 164.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -55.3 -65.36 0.6 Allowed 'General case' 0 N--CA 1.501 2.119 0 C-N-CA 127.447 2.299 . . . . 0.0 114.549 177.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -50.0 -57.55 7.34 Favored 'General case' 0 N--CA 1.52 3.074 0 N-CA-C 117.333 2.345 . . . . 0.0 117.333 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.291 2.4 t80 -60.33 -62.77 1.62 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 127.763 3.164 . . . . 0.0 114.786 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.272 13.4 mm-40 -53.2 -50.27 65.03 Favored 'General case' 0 CA--C 1.598 2.805 0 N-CA-C 120.408 3.485 . . . . 0.0 120.408 174.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -58.29 -60.61 3.5 Favored 'General case' 0 CA--C 1.585 2.298 0 CA-C-O 123.882 1.801 . . . . 0.0 114.457 169.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.89 -88.38 0.01 OUTLIER Glycine 0 C--N 1.392 3.664 0 CA-C-N 113.315 -1.766 . . . . 0.0 112.791 176.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -71.74 97.75 1.83 Allowed 'General case' 0 N--CA 1.513 2.697 0 CA-C-N 113.954 -1.123 . . . . 0.0 111.883 158.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.66 -36.8 0.58 Allowed Glycine 0 CA--C 1.578 3.994 0 N-CA-C 118.042 1.977 . . . . 0.0 118.042 160.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.3 m -104.26 134.31 47.71 Favored 'General case' 0 CA--C 1.582 2.2 1 N-CA-C 99.912 -4.107 . . . . 0.0 99.912 176.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.313 8.1 mp0 -67.84 84.31 0.21 Allowed 'General case' 0 N--CA 1.509 2.512 0 CA-C-N 110.568 -3.014 . . . . 0.0 114.208 163.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -164.78 161.6 20.59 Favored 'General case' 0 CA--C 1.601 2.935 0 C-N-CA 128.706 2.802 . . . . 0.0 108.9 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 tp -95.46 144.37 26.02 Favored 'General case' 0 CA--C 1.57 1.718 2 O-C-N 129.716 4.385 . . . . 0.0 105.789 166.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.556 HG22 ' HB ' ' A' ' 59' ' ' THR 0.304 3.3 pt -138.11 144.47 30.61 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 CA-C-N 110.865 -2.88 . . . . 0.0 105.848 179.087 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.8 t -136.96 141.7 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.582 0 C-N-CA 128.853 2.861 . . . . 0.0 105.302 -169.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.439 2.6 p -144.01 106.35 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 127.105 2.162 . . . . 0.0 114.362 -168.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -65.04 151.04 47.01 Favored 'General case' 1 N--CA 1.552 4.632 0 CA-C-O 125.322 2.487 . . . . 0.0 113.44 152.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -141.17 99.63 3.62 Favored 'General case' 1 N--CA 1.563 5.182 1 N-CA-C 96.833 -5.247 . . . . 0.0 96.833 -173.496 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.0 t -148.92 140.16 23.17 Favored 'General case' 0 C--O 1.291 3.247 1 N-CA-C 99.678 -4.193 . . . . 0.0 99.678 -162.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.261 . . -78.39 154.38 30.77 Favored 'General case' 1 CA--C 1.65 4.811 0 C-N-CA 127.579 2.351 . . . . 0.0 108.68 167.389 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . 0.251 0.2 OUTLIER -55.91 -48.89 74.85 Favored 'General case' 0 C--O 1.279 2.657 0 CA-C-O 124.774 2.226 . . . . 0.0 114.623 170.497 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 44.9 p-90 -66.66 86.53 0.12 Allowed 'General case' 0 CA--C 1.61 3.256 0 CA-C-N 110.392 -3.094 . . . . 0.0 113.905 161.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.9 t -168.0 89.05 0.68 Allowed Pre-proline 0 N--CA 1.5 2.071 0 CA-C-O 116.434 -1.746 . . . . 0.0 111.611 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -51.26 -40.65 60.8 Favored 'Trans proline' 1 CA--C 1.629 5.267 0 N-CA-C 122.09 3.842 . . . . 0.0 122.09 166.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.25 75.2 Cg_exo -53.49 -55.01 3.98 Favored 'Trans proline' 0 N--CA 1.501 1.964 0 C-N-CA 123.215 2.61 . . . . 0.0 117.746 165.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.462 ' SG ' ' HG3' ' A' ' 81' ' ' PRO 0.321 12.5 m -62.59 -20.76 65.04 Favored 'General case' 0 CA--C 1.584 2.261 0 N-CA-C 120.02 3.341 . . . . 0.0 120.02 162.779 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -57.62 -39.8 77.73 Favored 'General case' 0 CA--C 1.578 2.046 0 O-C-N 118.249 -2.782 . . . . 0.0 116.984 158.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.402 22.7 ptt? -67.55 -53.39 28.82 Favored 'General case' 0 N--CA 1.508 2.468 0 N-CA-C 117.889 2.551 . . . . 0.0 117.889 154.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.366 1.0 OUTLIER -49.44 -31.7 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 1 N-CA-C 122.192 4.145 . . . . 0.0 122.192 172.732 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.311 . . -54.22 -59.05 11.06 Favored Pre-proline 0 CA--C 1.591 2.538 0 C-N-CA 125.184 1.394 . . . . 0.0 113.843 171.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -54.65 -39.5 88.66 Favored 'Trans proline' 0 CA--C 1.586 3.118 0 N-CA-C 122.317 3.93 . . . . 0.0 122.317 160.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.29 47.2 mm -55.23 -54.38 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.293 0 O-C-N 124.862 1.351 . . . . 0.0 112.514 167.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.87 -47.34 8.25 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 118.475 2.769 . . . . 0.0 118.475 170.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.94 92.43 Favored 'General case' 0 CA--C 1.574 1.89 0 N-CA-C 119.696 3.221 . . . . 0.0 119.696 167.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -56.67 -51.49 68.55 Favored 'General case' 0 N--CA 1.537 3.884 0 N-CA-C 117.025 2.232 . . . . 0.0 117.025 164.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.3 2.2 tm? -53.21 -59.43 4.57 Favored 'General case' 0 CA--C 1.571 1.763 0 O-C-N 125.908 2.005 . . . . 0.0 115.461 168.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.75 -44.64 38.77 Favored 'General case' 0 N--CA 1.526 3.351 0 N-CA-C 117.3 2.333 . . . . 0.0 117.3 167.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -50.52 -45.58 56.72 Favored 'General case' 0 N--CA 1.508 2.435 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 163.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -56.66 -31.29 64.25 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 121.24 3.793 . . . . 0.0 121.24 170.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -131.69 95.09 23.88 Favored Pre-proline 0 N--CA 1.519 2.989 0 C-N-CA 128.648 2.779 . . . . 0.0 112.618 -159.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.429 35.8 Cg_endo -66.14 -40.47 15.48 Favored 'Trans proline' 0 CA--C 1.578 2.695 2 C-N-CA 130.712 7.608 . . . . 0.0 125.972 174.544 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -68.36 3.67 1.64 Allowed 'General case' 0 C--O 1.289 3.141 0 C-N-CA 127.7 2.4 . . . . 0.0 114.669 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.36 6.0 p -144.35 118.45 3.34 Favored 'Isoleucine or valine' 0 C--N 1.392 2.427 0 CA-C-O 126.189 2.899 . . . . 0.0 106.099 -155.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.556 ' HB ' HG22 ' A' ' 29' ' ' ILE . 15.6 m -87.16 155.89 19.92 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-O 128.21 3.862 . . . . 0.0 109.72 165.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -137.93 144.73 41.4 Favored 'General case' 0 C--N 1.361 1.069 0 CA-C-N 111.611 -2.541 . . . . 0.0 109.755 -172.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 pp -158.06 151.58 23.5 Favored 'General case' 0 CA--C 1.581 2.153 0 CA-C-O 124.468 2.08 . . . . 0.0 108.121 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -137.03 109.6 7.46 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 127.106 3.336 . . . . 0.0 105.898 -169.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.5 t -84.93 122.12 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 1 CA-C-N 107.285 -4.507 . . . . 0.0 102.422 174.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -79.01 115.33 18.62 Favored 'General case' 0 CA--C 1.577 1.984 0 O-C-N 116.301 -3.999 . . . . 0.0 105.354 158.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.381 0.3 OUTLIER -58.47 -42.34 84.08 Favored 'Isoleucine or valine' 0 C--N 1.386 2.172 0 C-N-CA 129.515 3.126 . . . . 0.0 114.774 -175.221 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.274 7.5 m-20 -43.95 -60.09 1.99 Allowed 'General case' 1 N--CA 1.545 4.29 0 C-N-CA 126.819 2.048 . . . . 0.0 110.925 179.253 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.96 -18.65 61.09 Favored 'General case' 0 C--O 1.255 1.347 0 N-CA-C 118.997 2.962 . . . . 0.0 118.997 169.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.5 mt -153.72 51.75 0.7 Allowed 'General case' 1 N--CA 1.548 4.451 0 O-C-N 117.4 -3.313 . . . . 0.0 109.749 -159.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.348 9.4 ptpt -67.13 -56.12 11.34 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 118.157 -2.839 . . . . 0.0 118.044 173.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.332 . . -46.32 -57.9 4.19 Favored 'General case' 0 N--CA 1.394 -3.237 0 O-C-N 127.379 2.925 . . . . 0.0 115.436 177.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.4 p -52.62 -52.16 29.13 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.139 0 N-CA-C 121.098 3.74 . . . . 0.0 121.098 158.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . 0.47 . . -44.6 -54.32 6.23 Favored 'General case' 1 N--CA 1.585 6.282 0 O-C-N 128.298 3.499 . . . . 0.0 118.458 173.555 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -52.53 -48.12 66.26 Favored 'General case' 0 C--N 1.273 -2.756 0 O-C-N 125.904 2.002 . . . . 0.0 112.689 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.456 0.0 OUTLIER -56.21 -42.13 76.71 Favored 'General case' 1 C--O 1.347 6.189 0 O-C-N 117.306 -3.371 . . . . 0.0 117.066 170.388 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.491 64.4 m95 -48.49 -54.18 15.25 Favored 'General case' 0 C--N 1.401 2.829 0 O-C-N 117.466 -3.271 . . . . 0.0 117.509 163.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.275 18.0 t-20 150.77 65.14 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.463 0 N-CA-C 103.893 -2.632 . . . . 0.0 103.893 154.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.5 t -135.8 94.05 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.536 3.835 2 N-CA-C 97.401 -5.037 . . . . 0.0 97.401 -160.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.85 -17.38 60.6 Favored 'General case' 2 N--CA 1.576 5.831 1 N-CA-C 122.96 4.43 . . . . 0.0 122.96 146.358 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -143.4 151.25 40.18 Favored 'General case' 0 CA--C 1.595 2.71 1 CA-C-O 128.582 4.039 . . . . 0.0 114.239 -168.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.3 mmt -102.06 107.64 53.44 Favored Pre-proline 0 C--O 1.285 2.968 0 CA-C-N 109.411 -3.54 . . . . 0.0 110.385 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.462 ' HG3' ' SG ' ' A' ' 41' ' ' CYS 0.33 0.4 OUTLIER -149.65 154.49 0.0 OUTLIER 'Cis proline' 1 CA--C 1.628 5.178 0 CA-C-O 128.567 3.486 . . . . 0.0 119.597 5.081 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.532 HG23 ' HB ' ' A' ' 96' ' ' VAL 0.36 2.8 m -117.68 136.63 53.21 Favored 'General case' 0 CA--C 1.578 2.024 2 CA-C-N 103.153 -6.385 . . . . 0.0 104.01 -141.023 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -135.16 113.85 11.78 Favored 'General case' 0 C--N 1.379 1.886 1 O-C-N 114.604 -5.06 . . . . 0.0 110.739 -176.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 mt -125.82 136.75 59.86 Favored 'Isoleucine or valine' 1 CA--C 1.632 4.133 0 CA-C-N 109.096 -3.683 . . . . 0.0 103.891 -165.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -116.36 120.3 38.42 Favored 'General case' 0 N--CA 1.406 -2.657 1 CA-C-N 108.054 -4.157 . . . . 0.0 107.587 -165.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.43 119.64 12.15 Favored 'General case' 0 N--CA 1.512 2.668 1 N-CA-C 95.102 -5.888 . . . . 0.0 95.102 -166.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.299 70.2 tttt -120.42 178.58 4.61 Favored 'General case' 0 CA--C 1.588 2.428 0 C-N-CA 129.29 3.036 . . . . 0.0 108.368 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -54.54 40.41 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.288 1 N-CA-C 123.894 4.776 . . . . 0.0 123.894 155.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.37 54.48 0.14 Allowed Glycine 0 N--CA 1.499 2.892 0 C-N-CA 125.305 1.431 . . . . 0.0 114.428 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.428 ' HG2' ' H ' ' A' ' 91' ' ' LEU 0.497 17.4 ttmt 61.81 -165.08 0.23 Allowed 'General case' 0 N--CA 1.528 3.437 0 C-N-CA 126.332 1.853 . . . . 0.0 113.426 -176.017 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.428 ' H ' ' HG2' ' A' ' 90' ' ' LYS . 33.3 tp -55.39 104.49 0.13 Allowed 'General case' 0 C--O 1.267 2.004 0 C-N-CA 125.916 1.686 . . . . 0.0 115.265 168.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.407 31.6 m -76.19 -51.15 20.61 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.643 0 C-N-CA 130.165 3.386 . . . . 0.0 115.571 173.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -164.69 162.1 21.11 Favored 'General case' 0 C--N 1.403 2.913 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -169.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.87 144.54 21.47 Favored 'General case' 0 C--O 1.248 1.013 0 O-C-N 126.114 2.134 . . . . 0.0 111.49 -171.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.8 m -165.33 151.89 10.15 Favored 'General case' 0 CA--C 1.603 2.988 0 CA-C-O 126.932 3.253 . . . . 0.0 102.377 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.532 ' HB ' HG23 ' A' ' 82' ' ' THR 0.287 0.2 OUTLIER -134.68 101.69 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.801 0 N-CA-C 100.663 -3.829 . . . . 0.0 100.663 -171.127 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 176.14 112.75 0.32 Allowed Glycine 0 CA--C 1.568 3.371 0 CA-C-N 113.933 -1.485 . . . . 0.0 115.579 174.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.12 106.51 5.01 Favored 'General case' 0 CA--C 1.585 2.297 0 CA-C-O 116.231 -1.843 . . . . 0.0 113.671 170.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -162.06 113.6 1.66 Allowed 'General case' 0 C--N 1.384 2.089 0 N-CA-C 106.074 -1.825 . . . . 0.0 106.074 -173.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.294 38.2 pttt -39.79 -53.37 2.25 Favored 'General case' 0 CA--C 1.576 1.977 1 N-CA-C 124.885 5.143 . . . . 0.0 124.885 175.978 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.343 0.6 OUTLIER -65.64 -49.1 69.9 Favored 'General case' 0 CA--C 1.579 2.096 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 163.168 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -41.95 -68.7 0.66 Allowed Glycine 0 CA--C 1.55 2.255 0 C-N-CA 128.525 2.964 . . . . 0.0 117.67 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.6 tp -49.62 -48.54 76.09 Favored Pre-proline 0 CA--C 1.585 2.32 0 N-CA-C 117.192 2.293 . . . . 0.0 117.192 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -54.77 -41.06 81.59 Favored 'Trans proline' 0 N--CA 1.529 3.593 0 N-CA-C 122.106 3.848 . . . . 0.0 122.106 161.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.8 m -56.48 -56.28 23.24 Favored 'General case' 0 CA--C 1.589 2.467 0 N-CA-C 118.251 2.686 . . . . 0.0 118.251 166.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.1 tp -56.94 -38.04 72.35 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 119.517 3.154 . . . . 0.0 119.517 167.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.485 38.0 t -58.96 -52.04 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.812 0 C-N-CA 127.247 2.219 . . . . 0.0 116.525 165.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.27 -51.71 42.52 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 119.868 3.284 . . . . 0.0 119.868 170.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -55.94 -42.46 76.18 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 165.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.31 28.1 m-70 -60.69 -45.38 94.4 Favored 'General case' 0 C--N 1.4 2.764 1 N-CA-C 123.129 4.492 . . . . 0.0 123.129 166.362 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.2 -47.3 85.85 Favored 'General case' 0 CA--C 1.583 2.242 0 N-CA-C 116.801 2.149 . . . . 0.0 116.801 163.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 90.1 m -53.75 -67.31 0.27 Allowed 'General case' 0 CA--C 1.575 1.91 0 O-C-N 124.071 0.857 . . . . 0.0 112.134 172.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 123.946 1.832 . . . . 0.0 115.026 175.71 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 1.245 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -142.39 108.49 5.22 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 126.535 1.934 . . . . 0.0 106.843 -172.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.286 11.1 pt-20 -154.1 175.42 13.45 Favored 'General case' 0 CA--C 1.558 1.278 0 CA-C-O 124.228 1.966 . . . . 0.0 108.775 -166.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.58 167.22 50.55 Favored Glycine 0 N--CA 1.502 3.09 0 C-N-CA 126.819 2.152 . . . . 0.0 114.16 168.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -151.94 126.41 9.41 Favored 'General case' 0 CA--C 1.57 1.742 0 CA-C-N 112.276 -1.962 . . . . 0.0 106.224 -163.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.282 38.8 t -104.49 119.92 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.962 1 C-N-CA 131.878 4.071 . . . . 0.0 104.176 -177.375 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -135.53 130.99 50.85 Favored 'Isoleucine or valine' 1 N--CA 1.54 4.074 0 C-N-CA 129.686 3.194 . . . . 0.0 105.652 -179.542 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.42 152.94 13.49 Favored 'General case' 0 N--CA 1.515 2.824 0 N-CA-C 117.897 2.554 . . . . 0.0 117.897 153.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.596 ' SG ' HD13 ' A' ' 61' ' ' LEU . 68.9 m -150.41 144.07 25.21 Favored 'General case' 0 CA--C 1.606 3.132 0 CA-C-O 126.473 3.035 . . . . 0.0 108.943 -170.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -137.79 -46.59 0.54 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 119.411 -2.056 . . . . 0.0 116.234 -149.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -145.5 -169.51 3.23 Favored 'General case' 0 CA--C 1.607 3.173 0 C-N-CA 127.319 2.248 . . . . 0.0 113.422 -161.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.4 p -49.48 -18.43 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.533 3.701 0 N-CA-C 119.206 3.039 . . . . 0.0 119.206 156.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -56.22 -44.27 79.4 Favored 'General case' 0 C--N 1.365 1.265 0 O-C-N 117.138 -3.476 . . . . 0.0 115.585 164.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.43 3.8 t -58.6 -32.42 68.98 Favored 'General case' 0 N--CA 1.528 3.466 0 N-CA-C 117.279 2.326 . . . . 0.0 117.279 167.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -51.46 -37.05 46.9 Favored 'General case' 0 N--CA 1.507 2.393 0 N-CA-C 118.215 2.672 . . . . 0.0 118.215 160.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.271 27.6 mtmt -56.88 -59.03 5.65 Favored 'General case' 0 CA--C 1.561 1.396 0 CA-C-O 113.239 -3.267 . . . . 0.0 117.236 156.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -61.39 -64.67 0.87 Allowed 'General case' 0 CA--C 1.585 2.313 0 CA-C-N 121.997 2.18 . . . . 0.0 113.961 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -55.59 -59.76 4.39 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 129.054 2.942 . . . . 0.0 116.158 -178.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.313 1.7 t80 -58.67 -60.51 3.71 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 175.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.261 5.2 mm-40 -47.95 -56.48 7.52 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 120.393 3.479 . . . . 0.0 120.393 173.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -55.35 -60.21 3.72 Favored 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 117.756 2.502 . . . . 0.0 117.756 164.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.05 -86.78 0.01 OUTLIER Glycine 0 CA--C 1.554 2.516 0 N-CA-C 118.763 2.265 . . . . 0.0 118.763 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -69.53 99.17 1.23 Allowed 'General case' 0 CA--C 1.577 2.003 0 CA-C-O 123.713 1.721 . . . . 0.0 111.258 155.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.07 -54.44 0.45 Allowed Glycine 0 CA--C 1.559 2.843 0 CA-C-N 113.058 -1.883 . . . . 0.0 114.484 159.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.3 m -82.24 130.18 35.03 Favored 'General case' 0 CA--C 1.609 3.231 0 O-C-N 128.561 3.153 . . . . 0.0 111.049 171.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -56.75 77.54 0.0 OUTLIER 'General case' 0 CA--C 1.587 2.385 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 162.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -157.89 155.22 29.21 Favored 'General case' 0 CA--C 1.582 2.202 0 C-N-CA 127.712 2.405 . . . . 0.0 108.549 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 58' ' ' VAL 0.273 32.5 tp -76.72 152.48 35.68 Favored 'General case' 0 CA--C 1.606 3.131 0 CA-C-O 125.756 2.693 . . . . 0.0 112.264 152.087 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.3 pt -145.48 123.85 5.14 Favored 'Isoleucine or valine' 0 CA--C 1.605 3.066 0 N-CA-C 101.011 -3.7 . . . . 0.0 101.011 177.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.9 t -119.85 141.73 38.64 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.019 0 C-N-CA 130.287 3.435 . . . . 0.0 103.796 -177.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.413 6.8 p -151.1 104.56 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.85 0 CA-C-N 113.476 -1.693 . . . . 0.0 109.028 -161.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -58.51 141.69 51.13 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 120.432 3.493 . . . . 0.0 120.432 149.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -131.07 110.04 10.91 Favored 'General case' 0 C--O 1.293 3.381 1 C-N-CA 134.046 4.938 . . . . 0.0 102.158 177.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 t -146.71 152.26 38.54 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 103.235 -2.876 . . . . 0.0 103.235 -165.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.25 159.62 20.94 Favored 'General case' 0 N--CA 1.509 2.517 0 C-N-CA 127.156 2.182 . . . . 0.0 115.173 155.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 t -63.16 -43.58 97.89 Favored 'General case' 0 CA--C 1.588 2.414 0 C-N-CA 126.304 1.842 . . . . 0.0 108.433 161.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.297 60.9 p-90 -67.13 67.12 0.07 Allowed 'General case' 0 CA--C 1.613 3.375 0 N-CA-C 117.918 2.562 . . . . 0.0 117.918 162.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.9 t -166.01 89.21 0.88 Allowed Pre-proline 0 N--CA 1.509 2.513 0 O-C-N 121.356 -0.84 . . . . 0.0 108.737 -176.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -54.83 -45.65 39.32 Favored 'Trans proline' 0 CA--C 1.568 2.18 0 C-N-CA 125.151 3.901 . . . . 0.0 118.844 165.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -40.13 -50.53 3.46 Favored 'Trans proline' 1 N--CA 1.564 5.668 0 N-CA-C 122.32 3.931 . . . . 0.0 122.32 162.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 81' ' ' PRO 0.42 5.0 m -69.35 -29.01 66.72 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 117.734 2.494 . . . . 0.0 117.734 164.179 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.265 57.8 tttp -47.89 -49.73 28.87 Favored 'General case' 0 CA--C 1.581 2.164 0 O-C-N 116.666 -3.771 . . . . 0.0 116.062 161.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.408 3.7 ptt? -60.54 -48.4 81.95 Favored 'General case' 0 CA--C 1.587 2.379 0 CA-C-O 126.016 2.817 . . . . 0.0 118.062 162.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.34 1.0 OUTLIER -55.22 -34.78 33.89 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.547 0 N-CA-C 118.914 2.931 . . . . 0.0 118.914 175.609 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.453 ' HB3' ' HD3' ' A' ' 46' ' ' PRO 0.255 . . -48.56 -60.87 3.82 Favored Pre-proline 0 CA--C 1.584 2.267 0 CA-C-O 115.051 -2.404 . . . . 0.0 114.317 172.263 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' A' ' 45' ' ' ALA 0.412 25.8 Cg_exo -53.55 -43.22 59.54 Favored 'Trans proline' 0 CA--C 1.555 1.56 1 C-N-CA 126.098 4.532 . . . . 0.0 118.927 163.405 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.447 29.5 mm -50.16 -56.6 3.44 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.184 0 N-CA-C 121.399 3.851 . . . . 0.0 121.399 162.282 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -54.83 -28.32 48.7 Favored 'General case' 0 N--CA 1.51 2.553 0 C-N-CA 126.467 1.907 . . . . 0.0 113.849 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.93 -45.21 64.61 Favored 'General case' 0 C--O 1.282 2.771 0 N-CA-C 120.652 3.575 . . . . 0.0 120.652 163.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -58.83 -52.4 65.89 Favored 'General case' 0 N--CA 1.516 2.863 0 O-C-N 119.853 -1.78 . . . . 0.0 112.09 166.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.38 -47.09 47.94 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 168.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.74 -45.14 78.06 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 119.542 3.164 . . . . 0.0 119.542 173.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -57.3 -42.7 82.27 Favored 'General case' 0 CA--C 1.563 1.47 0 N-CA-C 115.556 1.688 . . . . 0.0 115.556 166.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.345 33.2 ttmt -51.09 -38.96 54.88 Favored 'General case' 1 CA--C 1.63 4.042 0 N-CA-C 118.706 2.854 . . . . 0.0 118.706 167.855 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . 0.292 2.5 m-85 -134.7 103.88 10.99 Favored Pre-proline 1 CA--C 1.632 4.097 0 O-C-N 125.838 1.961 . . . . 0.0 108.22 -156.618 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.291 44.1 Cg_endo -70.95 -39.16 4.45 Favored 'Trans proline' 0 N--CA 1.526 3.423 2 C-N-CA 129.277 6.651 . . . . 0.0 128.424 167.503 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -57.69 -4.11 0.25 Allowed 'General case' 1 CA--C 1.642 4.494 0 C-N-CA 127.068 2.147 . . . . 0.0 114.192 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 28' ' ' LEU 0.274 3.6 p -144.85 110.66 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.586 2.337 0 CA-C-O 125.738 2.685 . . . . 0.0 107.787 -152.107 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.3 m -65.27 158.15 27.06 Favored 'General case' 0 CA--C 1.606 3.111 0 O-C-N 119.161 -2.212 . . . . 0.0 113.416 164.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -149.44 114.39 5.41 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 117.077 -3.514 . . . . 0.0 109.09 -167.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.596 HD13 ' SG ' ' A' ' 9' ' ' CYS . 1.1 pp -143.74 155.44 44.19 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 126.195 1.798 . . . . 0.0 110.73 -166.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -151.53 121.91 7.32 Favored 'General case' 0 C--O 1.261 1.687 0 CA-C-O 126.236 2.922 . . . . 0.0 108.994 -164.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 70.3 t -94.12 131.41 41.1 Favored 'Isoleucine or valine' 1 CA--C 1.668 5.486 0 C-N-CA 129.273 3.029 . . . . 0.0 108.34 -176.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -75.55 100.73 4.66 Favored 'General case' 0 N--CA 1.512 2.632 0 CA-C-N 112.081 -2.327 . . . . 0.0 110.199 157.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.321 2.9 p -45.46 -42.81 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.446 0 C-N-CA 129.643 3.177 . . . . 0.0 118.341 173.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.462 8.5 m-20 -53.43 -54.38 37.8 Favored 'General case' 0 N--CA 1.533 3.696 0 CA-C-N 120.702 1.592 . . . . 0.0 111.774 169.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.399 42.7 mt-10 -52.21 -31.37 31.58 Favored 'General case' 0 CA--C 1.605 3.093 0 N-CA-C 118.214 2.672 . . . . 0.0 118.214 170.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.6 mt -156.09 64.9 0.57 Allowed 'General case' 0 CA--C 1.624 3.82 0 O-C-N 116.622 -3.799 . . . . 0.0 107.153 -170.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -63.54 -49.2 74.4 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 119.285 3.068 . . . . 0.0 119.285 165.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.92 -63.91 0.97 Allowed 'General case' 1 CA--C 1.636 4.288 0 N-CA-C 119.143 3.016 . . . . 0.0 119.143 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.0 p -59.57 -35.6 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.197 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 164.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.82 -51.34 67.82 Favored 'General case' 0 N--CA 1.515 2.81 0 O-C-N 117.485 -3.259 . . . . 0.0 113.99 170.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -50.88 -50.49 57.07 Favored 'General case' 0 N--CA 1.491 1.609 1 CA-C-O 109.656 -4.973 . . . . 0.0 109.492 172.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.478 0.0 OUTLIER -48.73 -56.77 7.65 Favored 'General case' 0 CA--C 1.617 3.545 0 O-C-N 127.113 2.758 . . . . 0.0 115.644 177.601 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -59.49 -43.57 93.28 Favored 'General case' 0 C--N 1.41 3.197 0 CA-C-O 116.289 -1.815 . . . . 0.0 111.829 176.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.409 28.8 t-20 147.61 86.66 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 113.769 -3.015 . . . . 0.0 107.782 148.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.1 t -145.9 86.86 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.433 1 N-CA-C 98.286 -4.709 . . . . 0.0 98.286 -169.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.423 ' H ' ' HG3' ' A' ' 78' ' ' GLU 0.306 0.0 OUTLIER -85.24 -9.36 57.84 Favored 'General case' 0 N--CA 1.415 -2.183 0 C-N-CA 129.62 3.168 . . . . 0.0 116.627 148.461 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . 0.338 . . -152.66 143.76 23.1 Favored 'General case' 0 N--CA 1.537 3.879 0 CA-C-O 125.445 2.545 . . . . 0.0 112.008 -170.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.4 mmt -67.82 128.23 93.4 Favored Pre-proline 1 CA--C 1.66 5.181 0 N-CA-C 117.215 2.302 . . . . 0.0 117.215 153.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HB2' ' SG ' ' A' ' 41' ' ' CYS 0.46 93.5 Cg_endo -143.24 159.33 0.0 OUTLIER 'Cis proline' 0 C--O 1.158 -3.489 1 C-N-CA 117.095 -4.127 . . . . 0.0 116.563 -15.634 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.6 m -131.32 121.08 24.08 Favored 'General case' 0 C--O 1.271 2.195 1 CA-C-N 107.154 -4.567 . . . . 0.0 111.083 -140.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -99.63 128.44 45.74 Favored 'General case' 0 C--N 1.381 1.945 1 CA-C-O 129.862 4.649 . . . . 0.0 110.748 173.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.257 2.0 mt -128.09 134.8 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.542 0 CA-C-N 109.138 -3.664 . . . . 0.0 108.225 -174.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.451 ' HB2' ' HB3' ' A' ' 93' ' ' ASP . 71.3 m-85 -123.46 104.88 9.35 Favored 'General case' 0 C--O 1.264 1.831 2 O-C-N 131.819 5.699 . . . . 0.0 101.942 -166.419 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.98 129.47 49.3 Favored 'General case' 0 C--N 1.382 1.988 1 CA-C-O 129.164 4.316 . . . . 0.0 101.313 -179.195 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.306 52.8 tttt -141.06 169.07 18.31 Favored 'General case' 0 N--CA 1.527 3.399 0 O-C-N 117.555 -3.216 . . . . 0.0 105.826 -172.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -51.76 57.94 0.0 OUTLIER 'General case' 0 C--N 1.392 2.436 1 N-CA-C 122.474 4.249 . . . . 0.0 122.474 163.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 175.59 51.32 0.06 OUTLIER Glycine 0 CA--C 1.556 2.64 0 C-N-CA 128.241 2.829 . . . . 0.0 110.125 167.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt 57.81 -160.01 0.25 Allowed 'General case' 0 CA--C 1.618 3.569 0 CA-C-N 122.655 3.228 . . . . 0.0 115.962 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.9 tp -61.48 86.8 0.02 OUTLIER 'General case' 0 CA--C 1.581 2.14 0 C-N-CA 129.152 2.981 . . . . 0.0 118.108 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.271 27.7 m -68.37 -50.56 55.9 Favored 'Isoleucine or valine' 0 CA--C 1.613 3.384 1 CA-C-O 111.489 -4.1 . . . . 0.0 118.191 175.516 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.451 ' HB3' ' HB2' ' A' ' 85' ' ' PHE . 21.5 t70 -157.38 164.08 37.91 Favored 'General case' 0 CA--C 1.615 3.448 0 CA-C-N 122.684 2.493 . . . . 0.0 108.053 -166.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.36 144.3 20.72 Favored 'General case' 0 C--O 1.275 2.41 0 O-C-N 126.701 2.5 . . . . 0.0 112.583 -177.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 36.6 m -162.11 111.66 1.5 Allowed 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 103.451 -2.796 . . . . 0.0 103.451 -177.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.25 4.0 p -93.08 97.43 7.17 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.358 0 C-N-CA 130.372 3.469 . . . . 0.0 106.136 176.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 152.88 99.13 0.18 Allowed Glycine 0 C--O 1.29 3.616 0 CA-C-N 112.79 -2.004 . . . . 0.0 112.518 160.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.36 134.25 18.92 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 118.762 2.875 . . . . 0.0 118.762 166.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -153.75 133.22 12.83 Favored 'General case' 0 C--N 1.397 2.647 0 N-CA-C 102.261 -3.237 . . . . 0.0 102.261 -175.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.292 54.3 pttt -50.11 -58.64 5.1 Favored 'General case' 0 CA--C 1.612 3.337 0 N-CA-C 118.577 2.806 . . . . 0.0 118.577 178.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -70.27 -44.53 68.23 Favored 'General case' 0 CA--C 1.614 3.43 0 N-CA-C 118.873 2.916 . . . . 0.0 118.873 168.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -48.85 -43.2 30.23 Favored Glycine 0 C--N 1.344 0.976 0 CA-C-O 125.703 2.835 . . . . 0.0 119.79 177.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.279 37.8 tp -53.41 -68.8 0.4 Allowed Pre-proline 0 CA--C 1.602 2.98 0 O-C-N 117.284 -3.48 . . . . 0.0 109.933 168.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -38.08 -42.3 1.46 Allowed 'Trans proline' 0 C--O 1.214 -0.681 3 C-N-CA 127.564 5.509 . . . . 0.0 124.592 157.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.0 m -56.79 -60.57 3.37 Favored 'General case' 0 C--O 1.269 2.079 0 N-CA-C 118.303 2.705 . . . . 0.0 118.303 173.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 40.8 tp -58.98 -51.28 70.76 Favored 'General case' 0 CA--C 1.587 2.369 0 C-N-CA 127.706 2.402 . . . . 0.0 116.129 170.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 62.0 t -52.06 -55.6 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 CA-C-N 122.08 2.218 . . . . 0.0 112.55 173.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -47.79 -41.89 24.59 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 119.992 3.33 . . . . 0.0 119.992 168.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -58.53 -48.11 81.95 Favored 'General case' 0 CA--C 1.6 2.889 0 N-CA-C 117.792 2.516 . . . . 0.0 117.792 158.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.356 4.2 m-70 -59.87 -66.69 0.48 Allowed 'General case' 0 CA--C 1.577 1.986 0 C-N-CA 129.631 3.172 . . . . 0.0 113.543 174.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.0 -51.31 54.24 Favored 'General case' 0 N--CA 1.525 3.277 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 172.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.416 15.6 m -56.85 -89.12 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.525 0 C-N-CA 127.947 2.499 . . . . 0.0 116.933 164.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.91 0 O-C-N 126.337 2.273 . . . . 0.0 113.545 170.792 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.512 2.634 0 CA-C-O 124.108 1.909 . . . . 0.0 112.644 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -139.33 114.16 9.35 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 104.183 -2.525 . . . . 0.0 104.183 -165.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.423 8.2 pt-20 -151.33 154.55 36.93 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 123.952 1.834 . . . . 0.0 115.857 -167.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.6 170.38 13.08 Favored Glycine 0 N--CA 1.507 3.408 0 CA-C-N 110.976 -2.829 . . . . 0.0 117.219 157.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -150.22 108.57 3.78 Favored 'General case' 0 CA--C 1.567 1.602 0 CA-C-O 123.268 1.508 . . . . 0.0 108.361 -165.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.9 t -82.21 126.26 39.93 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 CA-C-N 112.41 -2.177 . . . . 0.0 107.594 173.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.251 0.3 OUTLIER -132.32 129.96 59.95 Favored 'Isoleucine or valine' 0 C--O 1.303 3.919 0 C-N-CA 128.572 2.749 . . . . 0.0 104.052 -177.568 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.93 149.92 49.18 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 119.502 -1.999 . . . . 0.0 115.315 159.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.466 ' SG ' HD13 ' A' ' 61' ' ' LEU . 66.9 m -149.7 125.57 10.51 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-O 125.101 2.381 . . . . 0.0 106.153 -164.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -123.47 -41.0 2.31 Favored 'General case' 0 CA--C 1.618 3.586 0 C-N-CA 130.868 3.667 . . . . 0.0 113.7 -160.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.2 p -149.54 -170.96 3.77 Favored 'General case' 0 CA--C 1.592 2.589 0 C-N-CA 126.749 2.02 . . . . 0.0 108.806 -167.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 p -59.37 -11.14 2.25 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.98 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 172.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.42 -38.96 72.26 Favored 'General case' 0 CA--C 1.586 2.348 1 CA-C-O 110.421 -4.609 . . . . 0.0 115.92 153.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.49 -38.51 59.66 Favored 'General case' 0 CA--C 1.617 3.542 0 CA-C-N 124.745 3.43 . . . . 0.0 115.996 158.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 41.0 m95 -51.4 -52.22 47.86 Favored 'General case' 0 N--CA 1.504 2.239 0 CA-C-N 120.948 1.704 . . . . 0.0 115.332 165.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.357 38.1 mtmt -52.08 -34.67 44.92 Favored 'General case' 0 CA--C 1.606 3.111 1 N-CA-C 121.81 4.004 . . . . 0.0 121.81 163.919 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -73.05 -63.51 1.16 Allowed 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 173.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -59.6 -58.41 8.72 Favored 'General case' 0 N--CA 1.506 2.343 1 C-N-CA 134.496 5.119 . . . . 0.0 119.079 -172.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.301 0.2 OUTLIER -64.52 -53.65 44.64 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 128.025 2.53 . . . . 0.0 116.665 174.024 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -49.14 -53.22 21.89 Favored 'General case' 0 C--O 1.268 2.076 0 N-CA-C 118.704 2.853 . . . . 0.0 118.704 166.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -57.65 -59.23 5.51 Favored 'General case' 0 CA--C 1.614 3.431 0 CA-C-O 123.456 1.598 . . . . 0.0 114.018 169.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.2 -83.79 0.02 OUTLIER Glycine 0 C--O 1.256 1.476 0 CA-C-O 123.576 1.653 . . . . 0.0 116.61 177.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -80.58 92.55 5.95 Favored 'General case' 0 C--N 1.288 -2.089 0 C-N-CA 126.141 1.776 . . . . 0.0 109.562 162.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.39 -31.64 0.23 Allowed Glycine 0 CA--C 1.55 2.224 0 CA-C-N 111.633 -2.53 . . . . 0.0 115.608 167.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.4 m -119.52 136.31 54.4 Favored 'General case' 0 CA--C 1.602 2.963 0 C-N-CA 131.536 3.934 . . . . 0.0 101.994 -167.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -70.08 74.53 0.48 Allowed 'General case' 0 CA--C 1.597 2.785 0 C-N-CA 127.13 2.172 . . . . 0.0 114.304 163.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -156.0 156.22 34.08 Favored 'General case' 0 CA--C 1.585 2.316 0 CA-C-O 125.721 2.677 . . . . 0.0 108.313 -178.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 10.1 tp -79.15 138.13 37.76 Favored 'General case' 0 CA--C 1.627 3.916 0 CA-C-N 111.52 -2.582 . . . . 0.0 115.615 152.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.423 HG22 ' HB ' ' A' ' 59' ' ' THR 0.433 1.0 OUTLIER -133.71 121.71 41.04 Favored 'Isoleucine or valine' 0 CA--C 1.627 3.941 0 C-N-CA 131.276 3.831 . . . . 0.0 107.039 -177.513 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.4 t -129.65 131.17 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 CA-C-N 111.886 -2.415 . . . . 0.0 105.483 -160.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.28 2.5 p -138.99 104.95 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.318 1 O-C-N 129.804 4.44 . . . . 0.0 115.665 -164.955 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -62.87 148.55 46.84 Favored 'General case' 0 N--CA 1.521 3.124 0 CA-C-O 124.542 2.115 . . . . 0.0 110.172 158.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -144.7 98.11 3.13 Favored 'General case' 0 C--N 1.406 3.06 1 N-CA-C 98.01 -4.811 . . . . 0.0 98.01 -178.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.536 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 8.5 t -153.95 151.68 29.7 Favored 'General case' 0 CA--C 1.585 2.308 0 CA-C-O 128.174 3.845 . . . . 0.0 103.456 -172.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.402 ' HB1' ' CD1' ' A' ' 37' ' ' TRP 0.33 . . -77.36 134.26 38.52 Favored 'General case' 0 C--O 1.296 3.506 1 CA-C-N 108.324 -4.035 . . . . 0.0 116.752 160.887 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.3 t -47.87 -40.48 21.7 Favored 'General case' 0 CA--C 1.567 1.625 0 N-CA-C 118.182 2.66 . . . . 0.0 118.182 169.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.402 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 3.1 p-90 -68.64 88.55 0.36 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 127.515 3.009 . . . . 0.0 111.288 152.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.9 t -177.09 96.89 0.23 Allowed Pre-proline 0 C--O 1.182 -2.487 0 O-C-N 117.207 -3.433 . . . . 0.0 106.106 176.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -52.21 -48.79 19.94 Favored 'Trans proline' 0 N--CA 1.505 2.17 1 C-N-CA 126.851 5.034 . . . . 0.0 115.163 168.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.321 24.6 Cg_exo -44.73 -45.34 13.57 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 124.651 3.568 . . . . 0.0 118.204 167.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.468 ' HA ' HG22 ' A' ' 44' ' ' ILE 0.601 78.5 m -69.78 -31.63 69.66 Favored 'General case' 0 C--O 1.205 -1.281 1 N-CA-C 123.402 4.593 . . . . 0.0 123.402 165.587 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -57.43 -45.85 84.2 Favored 'General case' 0 N--CA 1.505 2.314 0 N-CA-C 119.596 3.184 . . . . 0.0 119.596 159.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 15.0 ptm -64.17 -48.23 76.79 Favored 'General case' 0 C--N 1.399 2.747 0 CA-C-N 121.678 2.036 . . . . 0.0 113.371 159.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.468 HG22 ' HA ' ' A' ' 41' ' ' CYS 0.588 1.0 OUTLIER -45.77 -38.37 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.742 1 N-CA-C 123.335 4.569 . . . . 0.0 123.335 169.341 . . . . . . . . 5 4 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.463 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . . . -54.74 -54.54 48.22 Favored Pre-proline 0 CA--C 1.614 3.405 0 CA-C-O 114.036 -2.888 . . . . 0.0 117.87 169.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.463 ' HD3' ' HB3' ' A' ' 45' ' ' ALA . 25.8 Cg_exo -45.96 -44.26 18.96 Favored 'Trans proline' 0 CA--C 1.583 2.949 0 C-N-CA 124.869 3.712 . . . . 0.0 120.543 153.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.308 28.5 mm -52.16 -57.08 4.32 Favored 'Isoleucine or valine' 1 N--CA 1.55 4.556 0 CA-C-N 122.039 2.2 . . . . 0.0 113.81 163.11 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -44.02 -44.56 7.42 Favored 'General case' 0 N--CA 1.519 2.989 0 N-CA-C 118.792 2.886 . . . . 0.0 118.792 171.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.16 -45.74 76.14 Favored 'General case' 0 CA--C 1.62 3.648 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 168.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -53.9 -52.62 59.95 Favored 'General case' 0 CA--C 1.599 2.828 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 168.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.374 1.4 tm? -62.91 -36.0 81.93 Favored 'General case' 0 C--O 1.192 -1.965 0 C-N-CA 126.22 1.808 . . . . 0.0 113.3 174.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.79 -44.26 77.61 Favored 'General case' 0 C--N 1.378 1.816 0 O-C-N 118.703 -2.498 . . . . 0.0 117.071 160.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -60.2 -33.04 71.68 Favored 'General case' 0 CA--C 1.605 3.075 0 CA-C-O 114.268 -2.777 . . . . 0.0 117.676 165.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.26 39.3 ttmt -65.63 -30.96 71.74 Favored 'General case' 0 C--O 1.28 2.698 0 C-N-CA 127.703 2.401 . . . . 0.0 116.958 167.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -140.47 97.56 7.48 Favored Pre-proline 0 CA--C 1.625 3.854 0 C-N-CA 127.385 2.274 . . . . 0.0 107.595 -157.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -85.99 -6.21 8.54 Favored 'Trans proline' 0 N--CA 1.497 1.725 2 C-N-CA 132.313 8.676 . . . . 0.0 129.41 170.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.415 HD21 ' HB1' ' A' ' 111' ' ' ALA . 1.7 p30 -76.89 11.57 1.7 Allowed 'General case' 0 N--CA 1.514 2.729 1 O-C-N 116.027 -4.17 . . . . 0.0 117.187 164.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 28' ' ' LEU 0.373 3.4 p -149.16 99.78 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.627 3.929 0 CA-C-O 117.112 -1.423 . . . . 0.0 107.961 -151.567 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.423 ' HB ' HG22 ' A' ' 29' ' ' ILE . 48.3 m -61.17 151.77 30.46 Favored 'General case' 0 N--CA 1.533 3.691 0 CA-C-O 125.618 2.628 . . . . 0.0 113.004 160.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -138.87 144.03 39.0 Favored 'General case' 0 C--O 1.201 -1.478 0 C-N-CA 127.126 2.171 . . . . 0.0 111.01 -172.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.466 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.306 1.5 pp -155.08 164.86 38.27 Favored 'General case' 0 CA--C 1.628 3.951 0 CA-C-O 124.834 2.254 . . . . 0.0 108.555 -174.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.334 10.3 ptmm? -152.91 107.61 3.18 Favored 'General case' 0 CA--C 1.617 3.537 0 CA-C-N 110.617 -2.992 . . . . 0.0 116.892 -168.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.0 t -92.24 119.55 39.93 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.049 0 C-N-CA 130.806 3.642 . . . . 0.0 106.299 -169.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -69.58 105.51 2.69 Favored 'General case' 0 C--O 1.196 -1.719 0 N-CA-C 103.021 -2.955 . . . . 0.0 103.021 163.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.423 HG11 ' SD ' ' A' ' 80' ' ' MET 0.399 1.1 p -52.47 -39.32 28.65 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.265 0 N-CA-C 120.191 3.404 . . . . 0.0 120.191 178.081 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.34 21.5 m-20 -51.6 -54.66 25.39 Favored 'General case' 0 N--CA 1.536 3.831 0 CA-C-N 112.665 -2.061 . . . . 0.0 111.377 175.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -52.58 -26.74 14.23 Favored 'General case' 0 C--O 1.284 2.912 0 N-CA-C 119.414 3.116 . . . . 0.0 119.414 159.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.3 mt -159.02 53.73 0.41 Allowed 'General case' 0 N--CA 1.507 2.417 0 CA-C-N 125.286 3.675 . . . . 0.0 107.867 -160.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -69.4 -50.22 48.05 Favored 'General case' 0 C--N 1.386 2.194 0 CA-C-N 111.172 -2.74 . . . . 0.0 117.477 171.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.2 -60.27 3.41 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 117.077 -3.514 . . . . 0.0 119.296 174.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.2 p -50.2 -51.19 18.39 Favored 'Isoleucine or valine' 0 C--O 1.295 3.46 0 N-CA-C 117.936 2.569 . . . . 0.0 117.936 164.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.79 -59.27 2.61 Favored 'General case' 0 C--N 1.389 2.324 0 CA-C-O 115.588 -2.149 . . . . 0.0 112.615 171.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -53.71 -46.08 70.64 Favored 'General case' 0 CA--C 1.597 2.772 1 CA-C-O 109.373 -5.108 . . . . 0.0 112.014 173.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.524 0.0 OUTLIER -51.65 -51.23 57.47 Favored 'General case' 0 C--O 1.205 -1.243 1 N-CA-C 124.055 4.835 . . . . 0.0 124.055 171.947 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.321 31.7 m95 -50.95 -53.22 34.83 Favored 'General case' 0 N--CA 1.527 3.38 0 CA-C-O 112.553 -3.594 . . . . 0.0 116.113 162.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 149.69 82.04 0.0 OUTLIER 'General case' 0 CA--C 1.579 2.064 1 O-C-N 130.31 4.756 . . . . 0.0 105.623 150.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . 0.263 61.6 t -130.2 78.72 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 126.521 2.388 . . . . 0.0 109.479 -174.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.312 8.4 pt-20 -71.85 -12.42 61.27 Favored 'General case' 0 N--CA 1.516 2.86 0 N-CA-C 120.942 3.682 . . . . 0.0 120.942 158.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.26 145.49 26.23 Favored 'General case' 0 CA--C 1.576 1.969 0 CA-C-N 114.492 -1.231 . . . . 0.0 113.98 -163.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.536 ' SD ' ' HA ' ' A' ' 34' ' ' THR 0.398 12.2 mmt -73.78 121.96 86.44 Favored Pre-proline 0 C--O 1.305 3.993 0 CA-C-O 113.071 -3.347 . . . . 0.0 105.017 167.742 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.302 67.6 Cg_endo -151.97 150.9 0.0 OUTLIER 'Cis proline' 0 CA--C 1.603 3.971 1 CA-C-O 131.488 4.704 . . . . 0.0 118.619 -17.846 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.9 m -120.43 130.64 54.42 Favored 'General case' 0 CA--C 1.621 3.69 1 CA-C-O 130.591 4.996 . . . . 0.0 105.118 -137.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -119.49 109.67 16.0 Favored 'General case' 0 CA--C 1.61 3.264 0 C-N-CA 130.601 3.56 . . . . 0.0 105.151 -174.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.372 2.7 mt -106.31 137.7 35.41 Favored 'Isoleucine or valine' 1 CA--C 1.64 4.439 0 CA-C-N 109.646 -3.434 . . . . 0.0 106.452 -172.323 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -130.7 105.8 8.05 Favored 'General case' 0 CA--C 1.581 2.162 0 N-CA-C 101.99 -3.337 . . . . 0.0 101.99 -158.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.77 128.18 24.44 Favored 'General case' 0 CA--C 1.571 1.754 0 O-C-N 118.471 -2.643 . . . . 0.0 104.684 -167.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -127.4 175.32 8.3 Favored 'General case' 0 C--N 1.293 -1.854 1 C-N-CA 133.144 4.577 . . . . 0.0 115.624 -172.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -53.56 55.53 0.0 OUTLIER 'General case' 1 N--CA 1.561 5.091 0 O-C-N 120.04 -1.663 . . . . 0.0 114.211 150.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.85 22.95 0.06 OUTLIER Glycine 1 CA--C 1.601 5.435 0 CA-C-O 116.124 -2.486 . . . . 0.0 111.186 177.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.418 ' HG2' ' H ' ' A' ' 91' ' ' LEU 0.556 12.4 ttmt 65.7 -167.15 0.22 Allowed 'General case' 0 CA--C 1.592 2.567 0 CA-C-N 122.269 3.034 . . . . 0.0 117.146 -160.587 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.418 ' H ' ' HG2' ' A' ' 90' ' ' LYS . 55.6 tp -59.44 101.37 0.1 Allowed 'General case' 0 C--O 1.295 3.486 0 CA-C-O 126.618 3.104 . . . . 0.0 113.051 172.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.384 11.1 m -74.96 -40.23 45.31 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.289 0 N-CA-C 119.801 3.26 . . . . 0.0 119.801 171.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -165.33 171.13 13.86 Favored 'General case' 0 CA--C 1.615 3.476 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -171.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.96 137.69 12.15 Favored 'General case' 0 C--N 1.368 1.391 0 CA-C-N 113.742 -1.572 . . . . 0.0 109.69 -173.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.3 m -166.98 141.68 3.99 Favored 'General case' 0 C--O 1.262 1.73 0 N-CA-C 100.629 -3.841 . . . . 0.0 100.629 177.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.33 96.37 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.169 1 CA-C-N 108.121 -4.127 . . . . 0.0 109.534 -171.026 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.37 106.99 0.19 Allowed Glycine 0 CA--C 1.552 2.384 0 CA-C-N 111.097 -2.774 . . . . 0.0 116.347 171.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.27 120.1 10.92 Favored 'General case' 0 N--CA 1.505 2.281 0 C-N-CA 125.47 1.508 . . . . 0.0 113.41 168.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -164.06 125.95 2.35 Favored 'General case' 0 C--N 1.394 2.535 0 N-CA-C 103.497 -2.779 . . . . 0.0 103.497 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.368 57.3 pttt -43.41 -51.11 6.7 Favored 'General case' 0 CA--C 1.596 2.738 1 N-CA-C 122.06 4.096 . . . . 0.0 122.06 -179.357 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.366 2.3 p30 -74.9 -51.92 12.59 Favored 'General case' 0 C--O 1.271 2.228 0 C-N-CA 127.324 2.25 . . . . 0.0 116.404 173.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -51.07 -48.7 45.55 Favored Glycine 0 C--N 1.365 2.162 0 N-CA-C 118.532 2.173 . . . . 0.0 118.532 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.288 44.9 tp -54.82 -53.16 63.93 Favored Pre-proline 0 CA--C 1.607 3.137 0 C-N-CA 126.364 1.866 . . . . 0.0 114.936 175.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -45.48 -51.18 8.32 Favored 'Trans proline' 0 C--N 1.413 3.971 0 N-CA-C 120.516 3.237 . . . . 0.0 120.516 157.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.255 90.5 m -50.19 -50.93 47.8 Favored 'General case' 0 CA--C 1.622 3.744 0 CA-C-O 113.66 -3.067 . . . . 0.0 117.64 164.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.255 41.4 tp -52.55 -60.83 2.76 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 117.618 2.451 . . . . 0.0 117.618 168.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.3 t -49.7 -50.52 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.274 0 N-CA-C 121.252 3.797 . . . . 0.0 121.252 167.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.84 -53.4 32.56 Favored 'General case' 0 C--O 1.195 -1.812 0 O-C-N 118.826 -2.421 . . . . 0.0 114.23 168.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -47.33 -48.87 25.16 Favored 'General case' 0 C--N 1.408 3.124 0 O-C-N 119.537 -1.977 . . . . 0.0 113.016 162.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.513 16.1 m-70 -56.97 -64.16 0.97 Allowed 'General case' 0 C--N 1.382 2.009 0 N-CA-C 119.585 3.18 . . . . 0.0 119.585 174.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.415 ' HB1' HD21 ' A' ' 57' ' ' ASN . . . -51.64 -41.05 61.04 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 128.848 3.842 . . . . 0.0 118.818 169.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 19.0 m -55.35 -55.05 36.0 Favored 'General case' 0 N--CA 1.523 3.219 0 CA-C-O 114.364 -2.731 . . . . 0.0 112.131 165.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 125.91 2.767 . . . . 0.0 118.327 166.825 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.358 0 CA-C-O 121.843 0.83 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -155.97 140.6 16.95 Favored 'General case' 0 C--O 1.242 0.689 0 O-C-N 128.187 3.429 . . . . 0.0 110.592 -177.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -161.8 162.41 29.48 Favored 'General case' 0 N--CA 1.5 2.031 1 CA-C-O 129.249 4.357 . . . . 0.0 112.221 -171.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.91 165.22 53.1 Favored Glycine 0 N--CA 1.48 1.624 0 CA-C-N 110.521 -3.036 . . . . 0.0 108.864 164.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -145.61 110.89 5.31 Favored 'General case' 0 CA--C 1.589 2.442 0 CA-C-N 110.308 -2.946 . . . . 0.0 105.748 -161.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.3 t -83.72 131.3 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 C-N-CA 127.533 2.333 . . . . 0.0 111.13 167.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.45 117.32 27.33 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.807 0 N-CA-C 102.619 -3.104 . . . . 0.0 102.619 -170.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.28 137.9 57.85 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 118.722 -2.486 . . . . 0.0 113.936 165.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.477 ' SG ' HD13 ' A' ' 61' ' ' LEU . 82.4 m -141.36 147.31 37.86 Favored 'General case' 0 C--O 1.188 -2.182 0 C-N-CA 129.336 3.054 . . . . 0.0 108.666 -160.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -147.37 -52.2 0.2 Allowed 'General case' 0 N--CA 1.519 3.025 0 O-C-N 120.176 -1.577 . . . . 0.0 112.398 -155.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 p -137.53 -166.41 1.94 Allowed 'General case' 0 CA--C 1.591 2.544 0 C-N-CA 127.535 2.334 . . . . 0.0 111.278 -155.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 p -54.65 -20.07 4.86 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.979 0 N-CA-C 118.33 2.715 . . . . 0.0 118.33 160.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -56.22 -39.37 72.37 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 117.719 -3.113 . . . . 0.0 118.436 164.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.397 0.6 OUTLIER -60.2 -39.4 86.42 Favored 'General case' 0 CA--C 1.579 2.067 0 N-CA-C 118.497 2.777 . . . . 0.0 118.497 158.493 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -50.94 -41.64 59.19 Favored 'General case' 0 CA--C 1.577 2.017 0 O-C-N 128.003 3.314 . . . . 0.0 116.218 171.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -64.49 -40.86 96.46 Favored 'General case' 0 CA--C 1.582 2.196 1 N-CA-C 122.136 4.125 . . . . 0.0 122.136 160.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -58.27 -58.85 6.68 Favored 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 116.786 2.143 . . . . 0.0 116.786 169.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -58.37 -59.64 5.03 Favored 'General case' 0 C--O 1.201 -1.489 1 C-N-CA 131.845 4.058 . . . . 0.0 116.119 -177.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.383 85.8 t80 -57.48 -55.86 29.36 Favored 'General case' 0 N--CA 1.522 3.148 0 N-CA-C 120.347 3.462 . . . . 0.0 120.347 172.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -56.94 -53.69 55.13 Favored 'General case' 0 N--CA 1.514 2.753 0 O-C-N 126.348 2.28 . . . . 0.0 114.135 171.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.277 27.1 mmtp -54.44 -62.25 1.78 Allowed 'General case' 0 N--CA 1.51 2.556 0 CA-C-N 123.051 2.66 . . . . 0.0 112.6 167.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -37.59 -95.99 0.01 OUTLIER Glycine 1 CA--C 1.587 4.58 0 C-N-CA 128.603 3.002 . . . . 0.0 113.129 176.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -74.84 99.18 3.7 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 123.445 1.593 . . . . 0.0 109.173 162.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.65 -26.54 0.46 Allowed Glycine 1 CA--C 1.584 4.371 0 CA-C-O 126.159 3.088 . . . . 0.0 116.801 159.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.6 m -123.31 118.33 27.3 Favored 'General case' 0 CA--C 1.571 1.784 0 C-N-CA 131.623 3.969 . . . . 0.0 107.517 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.264 1.8 mp0 -59.16 70.31 0.01 OUTLIER 'General case' 1 N--CA 1.539 4.001 0 CA-C-N 110.073 -3.24 . . . . 0.0 113.779 176.069 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -158.26 155.95 29.82 Favored 'General case' 0 C--N 1.29 -2.02 0 CA-C-O 125.135 2.398 . . . . 0.0 105.073 -177.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 tp -71.35 150.57 44.96 Favored 'General case' 0 C--O 1.197 -1.682 0 C-N-CA 126.767 2.027 . . . . 0.0 110.579 154.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.251 1.4 pt -142.08 132.47 24.69 Favored 'Isoleucine or valine' 0 C--O 1.265 1.912 0 N-CA-C 101.216 -3.624 . . . . 0.0 101.216 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -138.28 129.7 37.42 Favored 'Isoleucine or valine' 1 N--CA 1.54 4.038 0 O-C-N 117.891 -3.006 . . . . 0.0 102.937 -167.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.335 2.6 p -140.84 111.55 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.166 0 CA-C-O 125.221 2.438 . . . . 0.0 110.138 -159.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -76.47 108.16 9.25 Favored 'General case' 0 N--CA 1.499 2.003 0 C-N-CA 128.911 2.885 . . . . 0.0 111.464 167.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -87.31 114.01 23.54 Favored 'General case' 0 N--CA 1.509 2.489 0 O-C-N 125.827 1.954 . . . . 0.0 108.961 156.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.693 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 11.4 t -153.79 155.27 35.53 Favored 'General case' 0 CA--C 1.56 1.359 0 CA-C-N 111.514 -2.585 . . . . 0.0 104.371 -175.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.07 146.53 25.45 Favored 'General case' 0 C--N 1.251 -3.693 0 C-N-CA 129.825 3.25 . . . . 0.0 108.788 173.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -42.41 -46.32 4.66 Favored 'General case' 1 N--CA 1.573 5.712 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 171.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 -72.3 89.4 1.21 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.705 2.002 . . . . 0.0 113.125 166.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.8 t -165.68 82.01 1.1 Allowed Pre-proline 0 N--CA 1.488 1.474 0 C-N-CA 128.243 2.617 . . . . 0.0 109.1 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -53.62 -42.69 63.95 Favored 'Trans proline' 0 CA--C 1.554 1.485 0 C-N-CA 123.735 2.957 . . . . 0.0 118.922 167.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -51.24 -58.88 1.38 Allowed 'Trans proline' 1 C--N 1.416 4.131 0 C-N-CA 125.26 3.973 . . . . 0.0 112.194 163.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.299 62.8 m -55.46 -21.86 18.07 Favored 'General case' 0 C--O 1.272 2.251 0 N-CA-C 120.989 3.7 . . . . 0.0 120.989 162.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -53.81 -56.62 15.93 Favored 'General case' 0 CA--C 1.564 1.497 0 O-C-N 116.833 -3.667 . . . . 0.0 111.048 162.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.374 2.1 ptt? -64.03 -40.65 96.79 Favored 'General case' 0 N--CA 1.535 3.78 0 N-CA-C 118.59 2.811 . . . . 0.0 118.59 161.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.344 1.0 OUTLIER -56.9 -35.53 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.697 0 O-C-N 117.655 -3.153 . . . . 0.0 116.36 169.336 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.394 . . -50.33 -57.31 13.35 Favored Pre-proline 0 C--N 1.383 2.035 0 O-C-N 119.282 -2.137 . . . . 0.0 115.569 166.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -49.16 -43.76 35.69 Favored 'Trans proline' 1 CA--C 1.62 4.814 0 C-N-CA 124.508 3.472 . . . . 0.0 117.437 162.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.361 30.3 mm -50.16 -64.04 0.35 Allowed 'Isoleucine or valine' 1 N--CA 1.543 4.187 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 162.695 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.285 3.1 t80 -41.81 -49.65 4.39 Favored 'General case' 0 CA--C 1.57 1.718 0 CA-C-O 112.455 -3.64 . . . . 0.0 116.784 169.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.72 -52.17 63.3 Favored 'General case' 0 CA--C 1.565 1.522 1 N-CA-C 123.957 4.799 . . . . 0.0 123.957 160.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.384 15.1 tt0 -50.89 -56.34 12.73 Favored 'General case' 1 N--CA 1.545 4.279 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 171.269 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.257 1.9 tm? -54.86 -42.26 71.79 Favored 'General case' 0 CA--C 1.585 2.321 0 N-CA-C 118.233 2.679 . . . . 0.0 118.233 169.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.7 -53.19 19.82 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 118.472 -2.643 . . . . 0.0 112.686 161.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -55.13 -38.26 67.97 Favored 'General case' 0 N--CA 1.529 3.517 0 N-CA-C 120.812 3.634 . . . . 0.0 120.812 169.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.299 36.7 ttmt -61.83 -35.12 77.31 Favored 'General case' 0 CA--C 1.616 3.51 0 N-CA-C 116.693 2.109 . . . . 0.0 116.693 173.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -128.46 100.77 22.05 Favored Pre-proline 0 CA--C 1.6 2.89 0 C-N-CA 127.248 2.219 . . . . 0.0 106.928 -158.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.255 25.0 Cg_endo -65.95 -26.4 51.41 Favored 'Trans proline' 1 CA--C 1.67 7.313 2 C-N-CA 129.729 6.952 . . . . 0.0 126.358 171.126 . . . . . . . . 4 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -74.38 2.56 9.12 Favored 'General case' 0 CA--C 1.609 3.237 0 C-N-CA 128.09 2.556 . . . . 0.0 116.966 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.5 p -147.18 115.34 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.612 3.335 0 CA-C-O 124.325 2.012 . . . . 0.0 109.108 -157.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.2 m -73.28 156.05 38.86 Favored 'General case' 0 CA--C 1.581 2.155 0 CA-C-O 124.594 2.14 . . . . 0.0 112.987 164.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -145.79 130.13 17.69 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-O 124.165 1.936 . . . . 0.0 110.909 -168.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.477 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.426 0.4 OUTLIER -148.03 144.97 28.28 Favored 'General case' 1 N--CA 1.555 4.802 0 CA-C-O 126.556 3.074 . . . . 0.0 109.932 -170.187 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.272 10.9 ptmm? -145.27 119.87 9.77 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 126.546 3.07 . . . . 0.0 110.284 -162.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.7 t -122.15 121.12 63.17 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.429 0 C-N-CA 129.821 3.248 . . . . 0.0 113.189 -160.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -59.48 101.69 0.11 Allowed 'General case' 0 C--N 1.363 1.193 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.009 156.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.441 HG11 ' SD ' ' A' ' 80' ' ' MET 0.271 1.4 p -59.79 -36.23 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.091 0 C-N-CA 131.167 3.787 . . . . 0.0 117.518 170.461 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.341 2.4 m-20 -46.72 -47.11 20.6 Favored 'General case' 0 CA--C 1.586 2.352 1 O-C-N 115.935 -4.228 . . . . 0.0 119.28 163.61 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.37 -22.84 65.55 Favored 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 118.949 2.944 . . . . 0.0 118.949 169.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.9 mt -149.3 56.58 1.0 Allowed 'General case' 0 N--CA 1.488 1.438 0 O-C-N 118.452 -2.655 . . . . 0.0 113.268 -168.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.328 2.4 ptpt -81.05 -50.74 9.29 Favored 'General case' 0 CA--C 1.615 3.471 0 C-N-CA 127.991 2.516 . . . . 0.0 111.605 176.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.271 . . -48.83 -51.33 30.1 Favored 'General case' 0 N--CA 1.513 2.721 0 N-CA-C 118.496 2.776 . . . . 0.0 118.496 175.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.407 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 8.2 p -66.82 -43.69 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.5 0 CA-C-O 115.134 -2.365 . . . . 0.0 115.182 167.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.38 -56.48 4.19 Favored 'General case' 0 C--O 1.271 2.21 0 CA-C-N 125.441 3.746 . . . . 0.0 116.081 169.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -50.38 -57.31 8.25 Favored 'General case' 0 CA--C 1.575 1.927 0 CA-C-N 110.334 -3.121 . . . . 0.0 110.017 173.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.407 ' HG2' ' HA ' ' A' ' 71' ' ' VAL 0.387 0.1 OUTLIER -44.25 -50.13 9.0 Favored 'General case' 0 C--O 1.275 2.426 0 O-C-N 128.526 3.641 . . . . 0.0 119.178 176.521 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -67.31 -31.83 72.4 Favored 'General case' 0 N--CA 1.499 1.989 1 N-CA-C 123.502 4.63 . . . . 0.0 123.502 166.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.598 10.4 t-20 146.84 78.58 0.0 OUTLIER 'General case' 0 CA--C 1.601 2.911 0 CA-C-O 122.935 1.35 . . . . 0.0 112.886 149.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.2 t -149.19 112.93 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.518 2.939 0 O-C-N 118.538 -2.602 . . . . 0.0 109.133 -163.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -104.04 -24.01 13.26 Favored 'General case' 0 CA--C 1.614 3.43 0 CA-C-N 110.958 -2.837 . . . . 0.0 108.968 169.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -151.89 148.35 27.68 Favored 'General case' 0 C--N 1.407 3.107 0 CA-C-N 123.525 2.875 . . . . 0.0 103.48 -154.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.693 ' SD ' ' HA ' ' A' ' 34' ' ' THR . 33.8 mmt -73.66 131.48 82.08 Favored Pre-proline 0 CA--C 1.595 2.689 0 CA-C-O 114.692 -2.575 . . . . 0.0 109.621 166.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -142.97 144.64 0.0 OUTLIER 'Cis proline' 0 C--O 1.194 -1.701 1 N-CA-C 124.986 4.956 . . . . 0.0 124.986 -18.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 m -122.52 129.82 52.38 Favored 'General case' 1 N--CA 1.54 4.072 1 CA-C-N 107.107 -4.588 . . . . 0.0 110.034 -136.911 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -119.71 122.38 41.32 Favored 'General case' 1 N--CA 1.567 5.418 1 N-CA-C 93.598 -6.445 . . . . 0.0 93.598 -167.911 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.54 137.21 55.95 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.955 1 CA-C-N 107.537 -4.392 . . . . 0.0 102.226 -178.544 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -126.04 101.07 6.62 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 101.976 -3.342 . . . . 0.0 101.976 -158.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.19 122.19 29.24 Favored 'General case' 0 CA--C 1.607 3.15 0 N-CA-C 100.911 -3.736 . . . . 0.0 100.911 -172.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.32 31.9 tttp -110.54 -176.21 2.92 Favored 'General case' 0 CA--C 1.623 3.753 0 CA-C-O 124.854 2.264 . . . . 0.0 105.402 178.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -64.64 58.21 0.02 OUTLIER 'General case' 0 CA--C 1.578 2.028 0 CA-C-N 110.71 -2.95 . . . . 0.0 115.501 152.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.02 38.5 0.13 Allowed Glycine 0 C--N 1.381 3.052 0 O-C-N 117.216 -3.427 . . . . 0.0 108.288 175.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.444 3.6 ttmt 48.69 -162.55 0.03 OUTLIER 'General case' 0 N--CA 1.525 3.3 1 N-CA-C 122.129 4.122 . . . . 0.0 122.129 -159.566 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.6 tp -60.25 99.08 0.07 Allowed 'General case' 0 N--CA 1.505 2.322 0 C-N-CA 131.144 3.778 . . . . 0.0 108.525 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.36 16.0 m -76.9 -50.97 19.88 Favored 'Isoleucine or valine' 1 N--CA 1.544 4.245 1 CA-C-O 109.652 -4.975 . . . . 0.0 110.807 168.586 . . . . . . . . 4 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.08 167.48 4.92 Favored 'General case' 0 CA--C 1.628 3.98 1 CA-C-N 127.982 4.901 . . . . 0.0 112.692 -175.123 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.89 151.94 36.74 Favored 'General case' 0 N--CA 1.513 2.707 1 CA-C-O 129.461 4.458 . . . . 0.0 111.431 -172.41 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.1 m -158.17 98.3 1.57 Allowed 'General case' 0 C--O 1.257 1.497 0 O-C-N 118.404 -2.685 . . . . 0.0 107.163 -175.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.73 99.86 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.628 3.966 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 163.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 164.34 99.24 0.14 Allowed Glycine 0 CA--C 1.561 2.907 0 CA-C-O 114.153 -3.582 . . . . 0.0 112.981 164.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -50.75 115.63 1.59 Allowed 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 127.895 2.478 . . . . 0.0 117.443 165.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -160.5 114.98 2.19 Favored 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 104.987 -2.227 . . . . 0.0 104.987 -171.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -48.57 -45.1 37.29 Favored 'General case' 0 C--N 1.291 -1.978 1 N-CA-C 122.104 4.113 . . . . 0.0 122.104 -174.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.338 3.1 p-10 -79.18 -49.27 12.82 Favored 'General case' 0 CA--C 1.612 3.363 0 C-N-CA 126.777 2.031 . . . . 0.0 110.414 167.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -45.95 -57.01 6.4 Favored Glycine 0 N--CA 1.508 3.456 1 N-CA-C 124.634 4.614 . . . . 0.0 124.634 175.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.256 52.7 tp -50.74 -55.85 23.74 Favored Pre-proline 0 CA--C 1.57 1.713 0 N-CA-C 119.625 3.194 . . . . 0.0 119.625 168.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.3 -28.33 52.3 Favored 'Trans proline' 0 CA--C 1.569 2.269 1 C-N-CA 125.563 4.175 . . . . 0.0 122.216 162.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 61.9 m -53.57 -57.69 9.82 Favored 'General case' 0 N--CA 1.519 3.011 0 C-N-CA 125.875 1.67 . . . . 0.0 114.717 161.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.405 54.4 tp -57.11 -46.76 82.34 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 120.922 3.675 . . . . 0.0 120.922 173.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 39.2 t -59.68 -42.64 89.2 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.484 0 N-CA-C 116.786 2.143 . . . . 0.0 116.786 163.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.87 -53.31 59.4 Favored 'General case' 0 N--CA 1.523 3.187 0 C-N-CA 128.412 2.685 . . . . 0.0 113.221 173.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -53.94 -49.61 68.31 Favored 'General case' 0 N--CA 1.482 1.137 1 N-CA-C 122.009 4.077 . . . . 0.0 122.009 164.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -55.84 -52.98 62.14 Favored 'General case' 0 C--N 1.403 2.894 0 N-CA-C 118.295 2.702 . . . . 0.0 118.295 161.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -45.72 -49.01 15.16 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 126.386 2.304 . . . . 0.0 116.125 172.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 29.5 m -55.06 -64.78 0.73 Allowed 'General case' 0 C--O 1.249 1.037 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 170.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 121.006 3.706 . . . . 0.0 121.006 174.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 124.004 1.859 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -170.17 135.26 1.3 Allowed 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 113.193 -1.821 . . . . 0.0 108.95 177.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.369 6.9 pt-20 -161.56 168.7 23.07 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-O 124.998 2.333 . . . . 0.0 109.374 -175.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.1 170.62 19.7 Favored Glycine 0 N--CA 1.506 3.316 0 CA-C-N 113.34 -1.754 . . . . 0.0 114.205 165.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -152.43 113.14 4.14 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 103.827 -2.657 . . . . 0.0 103.827 -172.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.1 t -77.06 131.62 34.44 Favored 'Isoleucine or valine' 0 CA--C 1.627 3.904 0 C-N-CA 127.431 2.292 . . . . 0.0 105.901 166.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.363 0.3 OUTLIER -130.51 131.7 64.95 Favored 'Isoleucine or valine' 0 C--N 1.368 1.405 0 C-N-CA 128.075 2.55 . . . . 0.0 108.835 -178.167 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.58 142.51 57.46 Favored 'General case' 0 CA--C 1.574 1.903 0 CA-C-O 124.906 2.289 . . . . 0.0 115.285 163.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.433 ' SG ' HD13 ' A' ' 61' ' ' LEU . 89.3 m -148.23 134.41 19.37 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 117.792 -3.068 . . . . 0.0 111.399 -170.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . 0.391 30.9 m80 -134.11 -38.21 0.87 Allowed 'General case' 0 CA--C 1.605 3.076 0 CA-C-N 110.797 -2.91 . . . . 0.0 117.517 -155.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.7 p -144.98 -170.51 3.43 Favored 'General case' 0 C--O 1.193 -1.912 0 CA-C-O 125.741 2.686 . . . . 0.0 111.412 -158.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 p -53.95 -19.76 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.34 0 N-CA-C 119.726 3.232 . . . . 0.0 119.726 157.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.91 -43.87 63.58 Favored 'General case' 0 C--N 1.403 2.911 0 O-C-N 117.8 -3.062 . . . . 0.0 115.096 162.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.404 0.6 OUTLIER -56.96 -38.23 72.67 Favored 'General case' 0 N--CA 1.523 3.216 0 C-N-CA 125.183 1.393 . . . . 0.0 114.541 170.166 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -51.79 -46.9 64.38 Favored 'General case' 0 N--CA 1.523 3.176 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 164.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -51.71 -62.19 1.78 Allowed 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 159.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -52.79 -63.03 1.28 Allowed 'General case' 0 N--CA 1.52 3.041 0 N-CA-C 118.374 2.731 . . . . 0.0 118.374 174.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -53.41 -62.59 1.55 Allowed 'General case' 1 N--CA 1.549 4.493 0 C-N-CA 128.408 2.683 . . . . 0.0 113.444 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.6 1.1 t80 -59.05 -60.33 4.04 Favored 'General case' 0 C--N 1.287 -2.125 0 C-N-CA 128.237 2.615 . . . . 0.0 113.826 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.362 13.3 mm-40 -51.04 -59.99 3.57 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 176.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -52.76 -63.04 1.28 Allowed 'General case' 0 N--CA 1.506 2.335 0 O-C-N 118.024 -2.923 . . . . 0.0 112.479 166.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -35.8 -84.77 0.01 OUTLIER Glycine 0 CA--C 1.565 3.166 0 N-CA-C 120.14 2.816 . . . . 0.0 120.14 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -79.33 107.91 12.44 Favored 'General case' 0 CA--C 1.576 1.953 0 CA-C-O 127.084 3.326 . . . . 0.0 108.71 151.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.46 -38.78 0.36 Allowed Glycine 1 CA--C 1.618 6.521 0 CA-C-N 110.531 -3.031 . . . . 0.0 115.355 168.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.7 m -126.3 128.77 47.65 Favored 'General case' 0 C--O 1.267 1.983 0 O-C-N 127.922 2.778 . . . . 0.0 105.939 -166.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -62.77 77.51 0.02 OUTLIER 'General case' 0 CA--C 1.58 2.114 0 CA-C-O 128.081 3.801 . . . . 0.0 118.035 165.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -162.08 176.99 10.13 Favored 'General case' 0 CA--C 1.588 2.409 1 CA-C-N 108.138 -4.119 . . . . 0.0 112.081 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.9 tp -110.65 151.12 28.06 Favored 'General case' 0 C--O 1.264 1.863 0 C-N-CA 130.198 3.399 . . . . 0.0 107.234 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.299 1.7 pt -151.15 134.02 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 129.292 3.037 . . . . 0.0 107.212 -175.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.7 t -132.26 136.76 55.87 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.28 0 O-C-N 127.881 3.238 . . . . 0.0 103.488 -161.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.44 3.3 p -152.47 106.74 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 117.106 -3.496 . . . . 0.0 112.38 -161.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -65.14 126.78 29.18 Favored 'General case' 0 N--CA 1.406 -2.667 0 CA-C-O 125.205 2.431 . . . . 0.0 113.304 161.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -110.99 111.43 22.54 Favored 'General case' 0 CA--C 1.577 2.009 0 N-CA-C 100.831 -3.766 . . . . 0.0 100.831 169.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.8 t -157.84 145.19 18.3 Favored 'General case' 0 CA--C 1.608 3.181 0 CA-C-O 125.019 2.343 . . . . 0.0 107.334 -172.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.35 130.4 35.15 Favored 'General case' 0 C--N 1.262 -3.236 0 CA-C-N 108.885 -3.78 . . . . 0.0 106.28 174.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.6 t -46.93 -42.24 17.37 Favored 'General case' 0 CA--C 1.587 2.381 0 C-N-CA 125.64 1.576 . . . . 0.0 114.584 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -70.96 88.73 0.76 Allowed 'General case' 0 C--O 1.276 2.464 0 C-N-CA 128.68 2.792 . . . . 0.0 109.173 160.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.8 t -171.44 91.89 0.44 Allowed Pre-proline 0 CA--C 1.595 2.684 0 CA-C-N 110.121 -3.218 . . . . 0.0 109.464 174.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -52.54 -40.24 72.85 Favored 'Trans proline' 1 CA--C 1.604 4.012 0 N-CA-C 118.761 2.562 . . . . 0.0 118.761 158.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.308 34.4 Cg_exo -42.38 -61.45 0.53 Allowed 'Trans proline' 0 C--N 1.399 3.23 0 C-N-CA 124.833 3.689 . . . . 0.0 120.349 160.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.506 ' HA ' HG22 ' A' ' 44' ' ' ILE 0.415 76.3 m -58.66 -38.83 78.99 Favored 'General case' 0 C--N 1.362 1.143 1 N-CA-C 122.253 4.168 . . . . 0.0 122.253 161.611 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -43.78 -43.16 5.97 Favored 'General case' 0 CA--C 1.604 3.032 0 N-CA-C 118.675 2.843 . . . . 0.0 118.675 166.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.331 21.5 ptt? -70.15 -41.55 73.7 Favored 'General case' 0 CA--C 1.578 2.027 0 C-N-CA 125.248 1.419 . . . . 0.0 113.435 166.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.506 HG22 ' HA ' ' A' ' 41' ' ' CYS 0.397 1.1 tp -52.97 -39.9 34.46 Favored 'Isoleucine or valine' 0 C--O 1.266 1.972 0 O-C-N 117.947 -2.97 . . . . 0.0 117.165 168.242 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.473 . . -44.53 -59.1 4.29 Favored Pre-proline 1 CA--C 1.649 4.757 0 O-C-N 118.367 -2.708 . . . . 0.0 113.109 166.043 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -54.15 -38.52 87.73 Favored 'Trans proline' 0 CA--C 1.576 2.59 0 N-CA-C 120.536 3.245 . . . . 0.0 120.536 159.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.548 HG21 ' HA ' ' A' ' 100' ' ' LYS 0.622 29.8 mm -55.55 -53.72 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 118.532 -2.605 . . . . 0.0 116.945 165.362 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . 0.291 8.3 t80 -54.01 -51.03 65.25 Favored 'General case' 0 N--CA 1.51 2.53 0 C-N-CA 126.848 2.059 . . . . 0.0 112.369 171.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.267 . . -51.09 -52.32 44.74 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 121.249 3.796 . . . . 0.0 121.249 168.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -52.93 -54.67 31.47 Favored 'General case' 0 CA--C 1.591 2.533 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 169.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.493 HD11 HG21 ' A' ' 107' ' ' VAL . 0.5 OUTLIER -53.4 -44.99 69.14 Favored 'General case' 0 CA--C 1.597 2.785 0 C-N-CA 126.506 1.922 . . . . 0.0 115.999 170.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.52 -37.41 49.14 Favored 'General case' 0 CA--C 1.562 1.43 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 165.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . 0.277 94.0 mttt -61.57 -46.91 87.88 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 117.597 2.443 . . . . 0.0 117.597 164.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -53.53 -37.28 62.67 Favored 'General case' 0 CA--C 1.599 2.851 0 N-CA-C 119.656 3.206 . . . . 0.0 119.656 171.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -129.89 104.17 17.08 Favored Pre-proline 0 CA--C 1.577 1.992 0 C-N-CA 129.252 3.021 . . . . 0.0 108.533 -153.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.453 12.3 Cg_endo -71.51 -39.84 3.38 Favored 'Trans proline' 0 CA--C 1.581 2.845 2 C-N-CA 130.646 7.564 . . . . 0.0 126.587 171.792 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . 0.282 10.3 p30 -63.89 10.5 0.05 Allowed 'General case' 0 N--CA 1.527 3.406 0 N-CA-C 118.61 2.818 . . . . 0.0 118.61 174.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.354 4.3 p -148.27 113.06 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.589 2.447 0 C-N-CA 123.564 0.746 . . . . 0.0 110.19 -158.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.1 m -73.63 153.6 40.09 Favored 'General case' 0 C--N 1.379 1.884 0 CA-C-O 128.474 3.988 . . . . 0.0 106.879 161.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -139.84 136.55 34.12 Favored 'General case' 0 N--CA 1.515 2.818 1 CA-C-O 129.164 4.316 . . . . 0.0 104.731 -175.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.433 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.395 0.5 OUTLIER -152.5 157.64 41.42 Favored 'General case' 0 CA--C 1.598 2.805 0 CA-C-N 110.52 -3.036 . . . . 0.0 108.153 -172.369 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -156.48 112.76 3.04 Favored 'General case' 0 N--CA 1.502 2.156 0 CA-C-O 124.363 2.03 . . . . 0.0 105.945 -166.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.8 t -88.07 119.59 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 C-N-CA 130.11 3.364 . . . . 0.0 110.704 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -65.14 107.47 1.56 Allowed 'General case' 0 C--O 1.299 3.668 0 O-C-N 125.513 1.758 . . . . 0.0 113.509 156.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.281 0.4 OUTLIER -56.69 -37.88 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 119.185 3.032 . . . . 0.0 119.185 178.69 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.81 -40.56 55.85 Favored 'General case' 0 N--CA 1.529 3.507 0 N-CA-C 119.588 3.181 . . . . 0.0 119.588 168.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . 0.3 24.9 mt-10 -67.15 -32.91 74.35 Favored 'General case' 0 CA--C 1.598 2.816 1 N-CA-C 121.87 4.026 . . . . 0.0 121.87 162.26 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.9 mt -152.28 66.33 0.83 Allowed 'General case' 0 C--N 1.387 2.201 0 CA-C-O 125.339 2.495 . . . . 0.0 109.19 -164.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -93.47 -37.64 11.84 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 110.77 -2.923 . . . . 0.0 108.75 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.55 -68.1 0.23 Allowed 'General case' 0 C--O 1.274 2.375 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 170.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.305 4.2 p -46.3 -58.9 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.603 2.993 0 N-CA-C 120.994 3.702 . . . . 0.0 120.994 160.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -40.24 -51.76 2.69 Favored 'General case' 0 C--N 1.388 2.268 0 N-CA-C 118.531 2.789 . . . . 0.0 118.531 174.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.67 -50.31 68.54 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 113.818 -2.991 . . . . 0.0 114.927 168.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.513 1.1 pt-20 -44.2 -52.14 7.63 Favored 'General case' 0 C--N 1.41 3.224 0 N-CA-C 118.966 2.95 . . . . 0.0 118.966 172.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.401 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 27.1 m95 -59.3 -53.79 54.21 Favored 'General case' 0 CA--C 1.613 3.38 0 O-C-N 125.302 1.626 . . . . 0.0 113.541 174.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 75' ' ' TRP . 12.0 t-20 155.87 88.53 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 127.133 2.771 . . . . 0.0 107.565 158.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.7 t -151.98 74.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.372 1.563 0 CA-C-O 128.271 3.891 . . . . 0.0 101.062 -174.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -68.6 -6.21 24.37 Favored 'General case' 0 C--N 1.404 2.94 2 N-CA-C 125.311 5.3 . . . . 0.0 125.311 140.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.92 141.65 27.98 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-O 125.015 2.34 . . . . 0.0 107.495 -158.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.46 ' HA ' ' CE ' ' A' ' 80' ' ' MET . 28.6 mmt -96.27 112.71 60.65 Favored Pre-proline 1 CA--C 1.636 4.286 0 C-N-CA 131.423 3.889 . . . . 0.0 104.485 175.075 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.328 62.5 Cg_endo -153.7 149.12 0.0 OUTLIER 'Cis proline' 0 C--O 1.274 2.277 0 N-CA-C 121.411 3.581 . . . . 0.0 121.411 3.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.8 m -123.09 138.66 54.61 Favored 'General case' 0 C--O 1.183 -2.432 0 C-N-CA 130.809 3.644 . . . . 0.0 114.249 -142.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -127.53 121.42 30.62 Favored 'General case' 0 CA--C 1.623 3.787 1 N-CA-C 100.02 -4.067 . . . . 0.0 100.02 -163.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.449 2.2 mt -128.35 135.74 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.85 3 O-C-N 129.584 4.303 . . . . 0.0 108.989 -166.116 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -135.89 107.54 6.99 Favored 'General case' 0 CA--C 1.623 3.753 1 N-CA-C 100.019 -4.067 . . . . 0.0 100.019 -153.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.58 127.16 30.71 Favored 'General case' 0 N--CA 1.499 1.983 1 N-CA-C 98.577 -4.601 . . . . 0.0 98.577 -170.608 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -130.37 -175.43 3.64 Favored 'General case' 0 CA--C 1.589 2.455 0 CA-C-N 109.576 -3.465 . . . . 0.0 104.677 -169.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -65.78 46.96 0.03 OUTLIER 'General case' 1 CA--C 1.675 5.751 0 N-CA-C 116.531 2.049 . . . . 0.0 116.531 163.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 176.89 51.4 0.06 OUTLIER Glycine 0 C--N 1.293 -1.825 0 CA-C-N 112.942 -1.936 . . . . 0.0 113.179 172.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.452 7.0 ttmt 55.25 -162.09 0.15 Allowed 'General case' 0 N--CA 1.526 3.362 0 N-CA-C 117.923 2.564 . . . . 0.0 117.923 -173.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.3 tp -56.1 97.94 0.02 OUTLIER 'General case' 0 C--N 1.273 -2.733 0 CA-C-O 124.705 2.193 . . . . 0.0 109.954 175.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.422 4.6 m -69.27 -43.37 81.33 Favored 'Isoleucine or valine' 0 C--O 1.254 1.32 1 N-CA-C 123.219 4.525 . . . . 0.0 123.219 163.046 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.55 161.77 29.98 Favored 'General case' 1 N--CA 1.572 5.635 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 -172.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.33 139.21 11.77 Favored 'General case' 0 C--N 1.384 2.101 0 CA-C-O 123.217 1.484 . . . . 0.0 107.62 -171.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.2 m -154.9 157.26 37.52 Favored 'General case' 0 N--CA 1.502 2.159 0 N-CA-C 102.205 -3.257 . . . . 0.0 102.205 -172.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.9 p -151.69 102.26 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.611 3.308 0 N-CA-C 102.389 -3.189 . . . . 0.0 102.389 -169.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 160.79 112.88 0.3 Allowed Glycine 0 N--CA 1.508 3.439 0 CA-C-O 114.694 -3.281 . . . . 0.0 107.681 162.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.94 124.78 15.09 Favored 'General case' 0 C--N 1.382 2.019 0 O-C-N 126.844 2.144 . . . . 0.0 115.897 166.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -160.75 125.52 3.68 Favored 'General case' 0 C--N 1.376 1.731 0 C-N-CA 125.975 1.71 . . . . 0.0 111.349 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.548 ' HA ' HG21 ' A' ' 47' ' ' ILE 0.416 19.9 pttt -39.68 -66.1 0.33 Allowed 'General case' 0 N--CA 1.531 3.608 1 N-CA-C 122.23 4.159 . . . . 0.0 122.23 165.225 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.4 -47.83 84.39 Favored 'General case' 0 C--N 1.376 1.754 0 C-N-CA 125.697 1.599 . . . . 0.0 114.365 171.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -39.35 -76.55 0.08 OUTLIER Glycine 0 CA--C 1.576 3.85 0 C-N-CA 129.037 3.208 . . . . 0.0 117.914 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.253 28.4 tp -52.01 -50.65 77.28 Favored Pre-proline 0 N--CA 1.508 2.471 1 N-CA-C 123.319 4.563 . . . . 0.0 123.319 174.031 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -45.27 -40.74 16.93 Favored 'Trans proline' 0 N--CA 1.528 3.535 0 N-CA-C 118.06 2.292 . . . . 0.0 118.06 157.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.0 m -67.03 -54.27 23.27 Favored 'General case' 1 N--CA 1.551 4.624 0 C-N-CA 127.079 2.152 . . . . 0.0 113.815 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.268 55.5 tp -53.74 -51.36 63.59 Favored 'General case' 0 C--O 1.196 -1.759 0 C-N-CA 127.697 2.399 . . . . 0.0 116.387 171.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.493 HG21 HD11 ' A' ' 51' ' ' LEU . 79.6 t -58.84 -51.73 68.68 Favored 'Isoleucine or valine' 0 N--CA 1.532 3.669 0 C-N-CA 125.532 1.533 . . . . 0.0 110.699 168.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.3 -48.97 6.87 Favored 'General case' 0 C--O 1.264 1.828 0 CA-C-N 122.314 2.325 . . . . 0.0 117.224 170.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -59.13 -42.58 90.94 Favored 'General case' 0 C--O 1.196 -1.744 1 N-CA-C 122.721 4.341 . . . . 0.0 122.721 165.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.328 4.7 m-70 -63.01 -61.35 2.45 Favored 'General case' 0 N--CA 1.532 3.626 0 N-CA-C 119.266 3.061 . . . . 0.0 119.266 172.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.93 -35.81 81.9 Favored 'General case' 0 N--CA 1.525 3.296 1 N-CA-C 124.011 4.819 . . . . 0.0 124.011 171.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.273 29.8 m -60.45 -49.58 76.98 Favored 'General case' 1 CA--C 1.633 4.158 0 O-C-N 118.669 -2.519 . . . . 0.0 114.169 157.615 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.382 2.012 0 CA-C-O 127.574 3.559 . . . . 0.0 118.897 162.314 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 123.256 1.503 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -159.71 120.34 3.09 Favored 'General case' 0 CA--C 1.559 1.32 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 -176.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -161.2 166.82 27.21 Favored 'General case' 0 CA--C 1.573 1.842 0 CA-C-O 124.903 2.287 . . . . 0.0 109.927 -168.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.94 177.54 52.06 Favored Glycine 0 C--N 1.368 2.354 0 CA-C-N 110.468 -3.06 . . . . 0.0 114.478 165.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -152.22 117.6 5.29 Favored 'General case' 0 N--CA 1.521 3.109 0 N-CA-C 102.504 -3.147 . . . . 0.0 102.504 -160.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.6 t -98.55 119.33 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 CA-C-N 111.275 -2.693 . . . . 0.0 110.151 174.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.259 0.3 OUTLIER -130.79 129.66 63.99 Favored 'Isoleucine or valine' 0 CA--C 1.628 3.959 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 -171.377 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.23 138.39 57.64 Favored 'General case' 0 CA--C 1.553 1.074 0 O-C-N 127.766 3.166 . . . . 0.0 114.285 164.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 68.4 m -138.7 143.5 39.16 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 111.459 -2.609 . . . . 0.0 107.617 -172.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -134.61 -38.01 0.83 Allowed 'General case' 0 CA--C 1.586 2.356 0 CA-C-N 109.242 -3.617 . . . . 0.0 113.878 -156.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.415 ' O ' HG22 ' A' ' 14' ' ' THR . 44.7 p -152.32 -166.73 2.56 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 117.86 -3.025 . . . . 0.0 108.815 -162.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.6 p -51.68 -16.66 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.528 3.473 0 N-CA-C 117.49 2.404 . . . . 0.0 117.49 160.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.37 -47.1 37.58 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 118.472 2.768 . . . . 0.0 118.472 156.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 11' ' ' THR 0.385 0.9 OUTLIER -56.21 -42.93 78.01 Favored 'General case' 1 N--CA 1.54 4.049 0 N-CA-C 117.804 2.52 . . . . 0.0 117.804 166.596 . . . . . . . . 5 4 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -53.73 -38.98 64.9 Favored 'General case' 0 CA--C 1.626 3.903 0 O-C-N 125.31 1.632 . . . . 0.0 113.531 171.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -66.2 -51.86 53.62 Favored 'General case' 0 CA--C 1.608 3.207 0 CA-C-N 121.155 1.798 . . . . 0.0 112.618 161.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.65 -64.23 0.88 Allowed 'General case' 0 CA--C 1.58 2.098 0 N-CA-C 119.57 3.174 . . . . 0.0 119.57 173.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -53.06 -57.41 10.48 Favored 'General case' 0 C--O 1.263 1.797 0 C-N-CA 126.259 1.824 . . . . 0.0 115.529 177.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -58.77 -54.09 51.05 Favored 'General case' 0 N--CA 1.539 3.995 0 CA-C-O 116.602 -1.666 . . . . 0.0 114.124 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -55.91 -49.49 73.31 Favored 'General case' 0 N--CA 1.534 3.758 0 C-N-CA 127.916 2.486 . . . . 0.0 112.799 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -56.77 -61.82 2.17 Favored 'General case' 0 N--CA 1.525 3.279 0 C-N-CA 125.349 1.46 . . . . 0.0 113.318 167.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.37 -89.3 0.01 OUTLIER Glycine 0 N--CA 1.492 2.398 0 CA-C-O 127.037 3.576 . . . . 0.0 118.249 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -73.36 98.04 2.63 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 125.813 2.721 . . . . 0.0 107.011 156.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.52 -48.4 0.38 Allowed Glycine 0 CA--C 1.572 3.624 0 CA-C-N 110.245 -3.161 . . . . 0.0 113.379 162.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.6 m -103.75 122.4 44.99 Favored 'General case' 0 C--N 1.392 2.415 0 CA-C-N 109.717 -3.242 . . . . 0.0 109.831 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -69.24 71.58 0.27 Allowed 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 128.736 2.814 . . . . 0.0 112.495 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -158.75 175.93 12.99 Favored 'General case' 0 CA--C 1.575 1.926 0 O-C-N 126.904 2.627 . . . . 0.0 108.525 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.2 tp -92.85 151.9 19.72 Favored 'General case' 0 CA--C 1.562 1.422 0 CA-C-N 111.531 -2.577 . . . . 0.0 109.072 169.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.554 HG22 ' HB ' ' A' ' 59' ' ' THR 0.267 4.1 pt -146.8 136.6 17.05 Favored 'Isoleucine or valine' 0 CA--C 1.627 3.915 3 CA-C-O 130.384 4.897 . . . . 0.0 99.877 -176.055 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.395 4.5 t -145.46 121.71 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.78 1 O-C-N 116.002 -4.186 . . . . 0.0 110.512 -168.393 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 p -139.53 107.83 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.463 0 CA-C-O 125.002 2.334 . . . . 0.0 110.395 -153.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -64.81 149.32 49.6 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-O 126.633 3.111 . . . . 0.0 118.325 161.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -138.44 108.15 6.26 Favored 'General case' 0 CA--C 1.601 2.939 1 N-CA-C 93.316 -6.55 . . . . 0.0 93.316 -174.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.9 t -154.47 145.15 22.38 Favored 'General case' 0 CA--C 1.603 2.992 0 O-C-N 127.076 2.735 . . . . 0.0 105.91 -171.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.27 . . -77.59 147.2 35.77 Favored 'General case' 2 C--N 1.237 -4.293 0 CA-C-N 112.691 -2.05 . . . . 0.0 113.959 161.058 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.7 t -53.56 -47.48 70.0 Favored 'General case' 0 N--CA 1.533 3.692 0 O-C-N 118.789 -2.444 . . . . 0.0 115.45 164.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -65.05 74.23 0.04 OUTLIER 'General case' 0 CA--C 1.606 3.102 0 CA-C-O 124.839 2.257 . . . . 0.0 114.229 166.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.6 t -164.34 83.37 1.26 Allowed Pre-proline 0 N--CA 1.524 3.26 0 CA-C-N 112.949 -1.932 . . . . 0.0 108.022 -176.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.407 44.5 Cg_exo -46.82 -42.05 24.84 Favored 'Trans proline' 1 CA--C 1.621 4.871 1 C-N-CA 127.795 5.663 . . . . 0.0 118.689 167.193 . . . . . . . . 4 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -56.03 -45.34 39.15 Favored 'Trans proline' 0 CA--C 1.604 3.977 0 C-N-CA 124.758 3.639 . . . . 0.0 119.332 164.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.559 7.9 m -67.41 -25.99 66.21 Favored 'General case' 0 N--CA 1.536 3.83 0 N-CA-C 121.329 3.826 . . . . 0.0 121.329 156.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.542 15.3 tttp -48.84 -58.55 4.65 Favored 'General case' 0 C--N 1.393 2.46 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 158.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.416 14.3 ptt? -59.59 -38.74 82.03 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 119.377 3.102 . . . . 0.0 119.377 164.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.432 1.0 OUTLIER -60.02 -21.75 22.72 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.142 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 170.219 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.402 . . -62.13 -59.62 12.54 Favored Pre-proline 0 C--N 1.396 2.61 0 CA-C-N 123.187 2.721 . . . . 0.0 112.355 170.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -52.66 -41.28 70.03 Favored 'Trans proline' 1 CA--C 1.613 4.442 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 162.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.251 29.0 mm -52.34 -57.58 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 CA-C-N 122.734 2.515 . . . . 0.0 116.324 167.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -54.64 -42.76 71.66 Favored 'General case' 0 CA--C 1.574 1.897 0 O-C-N 126.995 2.685 . . . . 0.0 115.816 173.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.97 95.41 Favored 'General case' 0 CA--C 1.593 2.606 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 162.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -49.88 -58.22 5.84 Favored 'General case' 0 CA--C 1.581 2.159 0 N-CA-C 116.974 2.213 . . . . 0.0 116.974 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.666 HD11 HG11 ' A' ' 107' ' ' VAL . 1.9 tm? -56.33 -38.62 71.59 Favored 'General case' 0 CA--C 1.579 2.064 1 CA-C-O 109.553 -5.022 . . . . 0.0 115.427 170.432 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.16 -43.69 61.31 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 119.725 3.232 . . . . 0.0 119.725 162.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -60.89 -44.54 96.96 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 113.039 -1.891 . . . . 0.0 114.084 169.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -54.54 -38.51 66.67 Favored 'General case' 0 CA--C 1.603 2.984 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 169.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -137.13 91.67 14.55 Favored Pre-proline 0 CA--C 1.61 3.267 0 C-N-CA 125.705 1.602 . . . . 0.0 108.32 -151.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -61.04 -29.6 88.01 Favored 'Trans proline' 1 CA--C 1.611 4.326 2 C-N-CA 128.095 5.864 . . . . 0.0 122.772 170.772 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -62.18 3.95 0.15 Allowed 'General case' 0 C--O 1.27 2.16 0 C-N-CA 129.316 3.046 . . . . 0.0 116.888 -177.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.263 3.4 p -147.53 107.53 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.873 0 CA-C-O 123.394 1.568 . . . . 0.0 113.313 -150.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.554 ' HB ' HG22 ' A' ' 29' ' ' ILE 0.303 57.1 m -66.6 156.14 35.9 Favored 'General case' 0 CA--C 1.596 2.716 0 CA-C-O 128.176 3.846 . . . . 0.0 113.216 160.856 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -148.41 136.42 20.98 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 125.588 2.613 . . . . 0.0 110.546 -171.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 pp -154.06 159.03 41.37 Favored 'General case' 0 N--CA 1.501 2.091 0 CA-C-O 126.751 3.167 . . . . 0.0 107.28 -174.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -148.69 110.2 4.45 Favored 'General case' 0 C--O 1.272 2.262 0 CA-C-O 128.177 3.846 . . . . 0.0 111.236 -166.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.464 HG13 HD12 ' A' ' 68' ' ' LEU . 94.6 t -91.46 119.37 38.61 Favored 'Isoleucine or valine' 0 C--O 1.275 2.397 0 O-C-N 116.746 -3.722 . . . . 0.0 112.064 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . 0.264 30.6 t70 -67.33 102.39 1.08 Allowed 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 126.281 1.832 . . . . 0.0 108.112 166.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.391 0.3 OUTLIER -51.94 -40.95 29.83 Favored 'Isoleucine or valine' 0 C--O 1.272 2.257 0 C-N-CA 130.958 3.703 . . . . 0.0 115.609 177.264 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -50.39 -58.06 6.55 Favored 'General case' 0 N--CA 1.507 2.419 0 C-N-CA 127.169 2.187 . . . . 0.0 112.885 174.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -55.19 -31.75 61.65 Favored 'General case' 0 N--CA 1.518 2.953 1 N-CA-C 124.563 5.023 . . . . 0.0 124.563 158.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.464 HD12 HG13 ' A' ' 63' ' ' VAL . 69.2 mt -145.45 48.0 1.27 Allowed 'General case' 0 CA--C 1.575 1.916 0 CA-C-O 125.696 2.665 . . . . 0.0 114.947 -161.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.335 16.9 ptpt -73.61 -51.63 16.18 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 118.382 2.734 . . . . 0.0 118.382 171.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.46 -53.22 24.15 Favored 'General case' 0 CA--C 1.581 2.143 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 175.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 p -62.3 -46.22 96.94 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.232 1 CA-C-O 110.763 -4.446 . . . . 0.0 121.303 166.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.18 -52.48 4.36 Favored 'General case' 0 N--CA 1.488 1.466 1 O-C-N 129.696 4.372 . . . . 0.0 113.819 164.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . 0.317 8.4 mt-10 -53.28 -53.41 51.28 Favored 'General case' 0 N--CA 1.518 2.964 0 O-C-N 125.658 1.849 . . . . 0.0 111.946 174.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.471 0.0 OUTLIER -45.36 -49.01 13.33 Favored 'General case' 0 C--N 1.399 2.719 1 N-CA-C 123.781 4.734 . . . . 0.0 123.781 164.961 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -56.03 -52.79 62.98 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 117.775 -3.078 . . . . 0.0 112.726 169.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.281 25.3 t-20 154.22 81.81 0.0 OUTLIER 'General case' 1 N--CA 1.545 4.296 0 C-N-CA 129.662 3.185 . . . . 0.0 105.209 154.351 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.646 HG22 HG21 ' A' ' 82' ' ' THR . 61.5 t -144.45 101.86 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.46 -2.519 0 CA-C-O 127.895 3.712 . . . . 0.0 106.284 -170.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -88.22 -15.34 36.18 Favored 'General case' 1 CA--C 1.652 4.882 0 O-C-N 117.078 -3.513 . . . . 0.0 117.637 161.915 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -156.77 157.42 35.0 Favored 'General case' 2 C--N 1.437 4.386 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 -165.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.6 mmt -75.58 128.16 84.49 Favored Pre-proline 0 CA--C 1.598 2.813 2 CA-C-O 109.527 -5.035 . . . . 0.0 108.11 169.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.35 88.4 Cg_endo -141.3 148.09 0.0 OUTLIER 'Cis proline' 0 CA--C 1.602 3.882 0 C-N-CA 120.275 -2.802 . . . . 0.0 111.423 -21.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.646 HG21 HG22 ' A' ' 77' ' ' VAL . 15.8 m -127.04 142.11 51.62 Favored 'General case' 0 N--CA 1.387 -3.608 1 N-CA-C 100.077 -4.046 . . . . 0.0 100.077 -130.152 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -134.34 116.79 15.64 Favored 'General case' 1 N--CA 1.566 5.334 0 N-CA-C 100.848 -3.76 . . . . 0.0 100.848 -163.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.27 54.0 mt -116.31 136.24 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.197 1 C-N-CA 133.707 4.803 . . . . 0.0 106.986 -179.033 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -120.9 109.46 15.14 Favored 'General case' 0 C--N 1.301 -1.52 3 N-CA-C 97.081 -5.155 . . . . 0.0 97.081 -168.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.5 136.64 48.07 Favored 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 129.13 2.972 . . . . 0.0 105.459 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.365 53.8 tttt -142.02 176.71 8.74 Favored 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 126.087 1.755 . . . . 0.0 109.365 -170.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -61.42 56.65 0.01 OUTLIER 'General case' 0 CA--C 1.615 3.468 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 154.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.4 40.66 0.08 OUTLIER Glycine 0 N--CA 1.495 2.625 0 C-N-CA 129.177 3.275 . . . . 0.0 117.218 173.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt 60.68 -170.34 0.15 Allowed 'General case' 0 CA--C 1.611 3.296 0 O-C-N 118.507 -2.761 . . . . 0.0 107.368 -177.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.49 94.2 0.06 Allowed 'General case' 0 CA--C 1.58 2.121 0 CA-C-O 123.975 1.845 . . . . 0.0 111.552 174.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.361 18.3 m -61.36 -58.92 5.35 Favored 'Isoleucine or valine' 0 C--N 1.378 1.815 0 CA-C-N 111.396 -2.638 . . . . 0.0 114.233 166.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -162.68 169.8 19.48 Favored 'General case' 0 C--N 1.382 2.02 0 O-C-N 116.406 -3.934 . . . . 0.0 114.359 -165.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.67 143.43 16.02 Favored 'General case' 0 CA--C 1.575 1.911 0 O-C-N 118.781 -2.45 . . . . 0.0 113.813 -172.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 80.9 m -158.67 157.78 32.49 Favored 'General case' 0 CA--C 1.615 3.476 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.288 1.2 p -140.65 93.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 C-N-CA 127.1 2.16 . . . . 0.0 107.613 -169.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 178.02 113.21 0.35 Allowed Glycine 0 CA--C 1.561 2.966 0 CA-C-O 127.448 3.804 . . . . 0.0 109.556 172.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.37 107.18 1.04 Allowed 'General case' 0 C--N 1.387 2.21 0 CA-C-O 126.161 2.886 . . . . 0.0 111.902 158.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -158.07 118.28 3.34 Favored 'General case' 0 N--CA 1.521 3.083 0 O-C-N 116.424 -3.922 . . . . 0.0 104.92 -171.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.357 0.0 OUTLIER -45.75 -56.7 4.99 Favored 'General case' 0 N--CA 1.512 2.655 0 N-CA-C 119.346 3.091 . . . . 0.0 119.346 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -79.2 -39.84 32.28 Favored 'General case' 0 N--CA 1.507 2.38 0 CA-C-O 116.414 -1.755 . . . . 0.0 113.885 167.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -43.43 -59.09 3.71 Favored Glycine 0 C--N 1.373 2.633 1 N-CA-C 125.466 4.946 . . . . 0.0 125.466 175.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.9 tp -56.57 -48.77 96.54 Favored Pre-proline 0 CA--C 1.588 2.428 0 CA-C-O 114.003 -2.903 . . . . 0.0 114.388 173.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -46.28 -55.91 3.34 Favored 'Trans proline' 0 C--N 1.402 3.389 1 C-N-CA 125.593 4.195 . . . . 0.0 117.424 159.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.29 17.6 m -51.91 -49.58 62.75 Favored 'General case' 0 N--CA 1.532 3.666 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 178.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.9 tp -62.53 -47.82 82.24 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 118.684 2.846 . . . . 0.0 118.684 169.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.666 HG11 HD11 ' A' ' 51' ' ' LEU 0.291 42.9 t -56.44 -54.97 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 CA-C-O 113.724 -3.036 . . . . 0.0 113.319 165.533 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.45 -45.14 17.97 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 118.008 2.595 . . . . 0.0 118.008 173.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -59.47 -48.95 79.68 Favored 'General case' 0 CA--C 1.619 3.612 0 O-C-N 128.143 3.402 . . . . 0.0 112.648 170.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -54.76 -55.83 25.83 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 120.946 3.684 . . . . 0.0 120.946 165.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -49.9 -45.49 50.88 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 118.686 2.847 . . . . 0.0 118.686 172.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 48.1 m -53.88 -49.93 67.44 Favored 'General case' 0 CA--C 1.601 2.941 0 C-N-CA 125.888 1.675 . . . . 0.0 115.173 166.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.348 0 CA-C-O 124.214 1.959 . . . . 0.0 114.876 164.198 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.58 2.125 0 N-CA-C 107.491 -1.299 . . . . 0.0 107.491 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -154.8 116.79 4.18 Favored 'General case' 0 CA--C 1.608 3.178 0 N-CA-C 102.698 -3.075 . . . . 0.0 102.698 -167.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -161.36 164.52 29.96 Favored 'General case' 0 N--CA 1.52 3.047 0 CA-C-O 122.024 0.916 . . . . 0.0 111.71 -172.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.98 171.4 35.28 Favored Glycine 0 CA--C 1.569 3.438 0 C-N-CA 126.036 1.779 . . . . 0.0 114.354 161.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -157.41 136.86 12.04 Favored 'General case' 0 CA--C 1.587 2.394 0 O-C-N 118.95 -2.5 . . . . 0.0 107.11 -169.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.3 t -93.85 114.88 31.39 Favored 'Isoleucine or valine' 0 C--O 1.248 1.015 0 C-N-CA 130.143 3.377 . . . . 0.0 110.831 175.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -124.57 115.95 46.05 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.103 0 N-CA-C 101.883 -3.377 . . . . 0.0 101.883 -173.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.23 139.9 58.12 Favored 'General case' 0 CA--C 1.587 2.392 0 CA-C-O 124.051 1.882 . . . . 0.0 115.291 163.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.649 ' SG ' HD13 ' A' ' 61' ' ' LEU . 69.4 m -122.55 147.81 45.94 Favored 'General case' 0 C--N 1.282 -2.341 0 C-N-CA 129.433 3.093 . . . . 0.0 112.888 -172.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -141.24 -64.65 0.44 Allowed 'General case' 0 CA--C 1.565 1.545 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -153.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.3 p -138.35 -169.8 2.67 Favored 'General case' 0 CA--C 1.585 2.307 0 C-N-CA 128.512 2.725 . . . . 0.0 109.562 -165.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.0 p -45.07 -21.72 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.602 2.976 0 CA-C-O 128.264 3.888 . . . . 0.0 121.152 171.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.97 -41.04 95.8 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 117.618 -3.176 . . . . 0.0 112.917 172.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.276 2.1 t -50.87 -34.71 29.29 Favored 'General case' 0 CA--C 1.606 3.107 0 N-CA-C 119.44 3.126 . . . . 0.0 119.44 156.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . 0.253 37.1 m95 -55.58 -51.86 65.68 Favored 'General case' 1 N--CA 1.547 4.421 0 O-C-N 119.577 -1.952 . . . . 0.0 113.695 169.249 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -50.0 -55.58 14.1 Favored 'General case' 0 CA--C 1.604 3.027 0 N-CA-C 117.052 2.241 . . . . 0.0 117.052 161.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.406 33.5 mt-10 -53.9 -64.53 0.8 Allowed 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 121.4 3.852 . . . . 0.0 121.4 172.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -49.36 -58.78 4.48 Favored 'General case' 0 CA--C 1.593 2.615 0 O-C-N 124.618 1.198 . . . . 0.0 113.149 175.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -58.33 -59.32 5.52 Favored 'General case' 0 CA--C 1.585 2.299 0 C-N-CA 127.115 2.166 . . . . 0.0 115.556 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.408 ' O ' ' HA3' ' A' ' 24' ' ' GLY 0.368 64.7 mm-40 -51.34 -60.41 3.16 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 126.75 2.02 . . . . 0.0 115.75 177.049 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -54.46 -52.62 61.28 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 119.507 3.151 . . . . 0.0 119.507 169.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.86 -80.75 0.06 OUTLIER Glycine 0 CA--C 1.557 2.7 0 N-CA-C 120.522 2.969 . . . . 0.0 120.522 172.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -83.22 91.41 7.26 Favored 'General case' 0 CA--C 1.482 -1.662 0 O-C-N 128.474 3.102 . . . . 0.0 113.6 153.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 20' ' ' GLU . . . 171.72 -43.07 0.18 Allowed Glycine 0 CA--C 1.546 1.987 0 O-C-N 118.778 -2.451 . . . . 0.0 113.831 170.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.9 m -117.32 136.81 52.86 Favored 'General case' 0 C--O 1.266 1.953 0 C-N-CA 128.293 2.637 . . . . 0.0 104.586 -176.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.83 87.17 0.13 Allowed 'General case' 1 N--CA 1.542 4.16 0 C-N-CA 127.157 2.183 . . . . 0.0 109.186 166.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -162.13 158.18 24.34 Favored 'General case' 1 C--O 1.307 4.119 0 N-CA-C 103.406 -2.813 . . . . 0.0 103.406 176.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.2 tp -87.61 147.32 25.34 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 109.221 -3.627 . . . . 0.0 109.313 157.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.1 pt -141.64 138.49 31.99 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.088 1 C-N-CA 132.196 4.198 . . . . 0.0 106.956 -179.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.262 84.1 t -142.81 127.48 15.68 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.462 0 CA-C-N 113.31 -1.768 . . . . 0.0 109.004 -168.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.442 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 6.9 p -144.76 105.82 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.596 2.745 0 N-CA-C 118.393 2.738 . . . . 0.0 118.393 -157.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.467 ' HA ' ' O ' ' A' ' 82' ' ' THR . 11.6 t0 -68.56 125.83 27.75 Favored 'General case' 0 C--N 1.379 1.865 0 CA-C-N 110.991 -2.822 . . . . 0.0 117.55 168.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -108.31 105.29 14.92 Favored 'General case' 0 N--CA 1.51 2.53 0 CA-C-O 127.653 3.597 . . . . 0.0 102.192 171.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.9 t -151.02 135.7 17.19 Favored 'General case' 0 N--CA 1.539 3.98 0 CA-C-O 128.211 3.863 . . . . 0.0 103.713 -169.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.26 . . -79.98 149.81 30.67 Favored 'General case' 0 C--O 1.257 1.466 0 CA-C-N 110.224 -3.171 . . . . 0.0 112.154 160.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 t -58.81 -36.92 75.28 Favored 'General case' 0 CA--C 1.589 2.473 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 165.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 43.7 p-90 -58.73 61.91 0.0 OUTLIER 'General case' 1 N--CA 1.568 5.462 0 O-C-N 119.231 -2.168 . . . . 0.0 115.174 162.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.1 t -160.67 93.83 1.53 Allowed Pre-proline 0 CA--C 1.605 3.09 0 CA-C-O 115.552 -2.166 . . . . 0.0 106.923 -171.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -52.83 -34.51 65.92 Favored 'Trans proline' 2 CA--C 1.639 5.771 1 N-CA-C 124.176 4.644 . . . . 0.0 124.176 155.585 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.427 31.8 Cg_exo -51.65 -59.22 1.2 Allowed 'Trans proline' 0 N--CA 1.506 2.252 1 C-N-CA 126.753 4.968 . . . . 0.0 120.643 162.069 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.421 ' SG ' ' CG ' ' A' ' 81' ' ' PRO 0.462 28.7 m -62.52 -27.75 69.37 Favored 'General case' 0 C--N 1.385 2.151 1 N-CA-C 122.596 4.295 . . . . 0.0 122.596 157.61 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -41.69 -58.77 1.86 Allowed 'General case' 0 N--CA 1.513 2.69 0 O-C-N 118.175 -2.828 . . . . 0.0 117.119 152.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.255 12.4 ptm -68.43 -39.83 81.42 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 119.178 -2.201 . . . . 0.0 115.725 167.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.35 1.1 tp -53.15 -36.45 25.21 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.693 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 171.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.96 -60.64 4.34 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 117.037 -3.54 . . . . 0.0 112.877 165.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -45.8 -49.66 10.64 Favored 'Trans proline' 0 C--N 1.38 2.226 1 C-N-CA 125.814 4.342 . . . . 0.0 119.844 164.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.297 46.2 mm -53.64 -55.81 11.68 Favored 'Isoleucine or valine' 0 CA--C 1.623 3.776 0 CA-C-O 123.893 1.806 . . . . 0.0 113.206 168.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -45.96 -39.72 9.3 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 118.218 -2.801 . . . . 0.0 116.331 173.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.34 -53.57 16.14 Favored 'General case' 0 CA--C 1.549 0.905 1 O-C-N 129.554 4.284 . . . . 0.0 117.532 172.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -54.81 -50.0 69.62 Favored 'General case' 1 CA--C 1.645 4.609 0 O-C-N 118.301 -2.749 . . . . 0.0 113.575 167.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.332 2.0 tm? -46.43 -50.73 16.36 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 162.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.21 -37.72 55.84 Favored 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 118.841 2.904 . . . . 0.0 118.841 169.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -69.01 -39.19 79.43 Favored 'General case' 0 C--O 1.258 1.522 0 C-N-CA 129.021 2.928 . . . . 0.0 114.278 169.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -59.52 -33.81 71.84 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 117.997 2.591 . . . . 0.0 117.997 173.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 3.0 m-85 -134.89 96.08 14.91 Favored Pre-proline 0 C--O 1.263 1.772 0 C-N-CA 128.1 2.56 . . . . 0.0 110.392 -155.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 55' ' ' PHE 0.267 4.4 Cg_endo -68.89 -35.63 15.04 Favored 'Trans proline' 0 N--CA 1.527 3.486 2 C-N-CA 133.039 9.159 . . . . 0.0 126.679 179.958 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -71.42 4.22 3.15 Favored 'General case' 0 CA--C 1.588 2.431 0 N-CA-C 118.394 2.738 . . . . 0.0 118.394 176.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.299 2.5 p -144.99 108.03 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.502 0 C-N-CA 122.883 0.473 . . . . 0.0 110.211 -154.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.3 m -69.53 157.52 37.01 Favored 'General case' 0 CA--C 1.589 2.464 0 CA-C-N 112.467 -2.151 . . . . 0.0 110.176 169.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -149.44 122.66 8.94 Favored 'General case' 0 C--O 1.184 -2.359 0 CA-C-N 111.823 -2.444 . . . . 0.0 108.444 -168.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.649 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.274 0.3 OUTLIER -148.23 146.65 28.75 Favored 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 127.148 2.179 . . . . 0.0 108.674 -168.439 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -147.75 101.4 3.32 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 126.65 3.119 . . . . 0.0 109.378 -161.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.3 t -77.15 124.03 34.8 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.149 0 CA-C-N 110.154 -3.203 . . . . 0.0 111.521 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -67.31 90.64 0.23 Allowed 'General case' 0 N--CA 1.537 3.909 0 CA-C-N 112.28 -2.236 . . . . 0.0 110.981 155.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.349 1.0 OUTLIER -46.78 -33.27 2.05 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.781 0 N-CA-C 119.721 3.23 . . . . 0.0 119.721 172.559 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.434 30.5 m-20 -57.43 -47.47 81.68 Favored 'General case' 0 N--CA 1.532 3.649 0 CA-C-O 116.019 -1.944 . . . . 0.0 116.225 168.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -57.86 -25.33 60.59 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 120.04 3.348 . . . . 0.0 120.04 165.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.0 mt -152.82 45.04 0.68 Allowed 'General case' 0 C--N 1.413 3.352 0 CA-C-O 127.863 3.697 . . . . 0.0 117.279 -164.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.265 14.4 ptpt -62.93 -42.49 99.82 Favored 'General case' 1 N--CA 1.559 4.982 0 O-C-N 119.353 -2.092 . . . . 0.0 116.446 177.106 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.73 -66.54 0.37 Allowed 'General case' 1 N--CA 1.56 5.064 0 C-N-CA 125.696 1.598 . . . . 0.0 113.821 175.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.5 p -60.89 -44.7 98.37 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.687 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 169.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.99 -47.39 5.74 Favored 'General case' 0 C--O 1.172 -3.02 0 O-C-N 116.411 -3.931 . . . . 0.0 116.377 167.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . 0.317 48.8 tt0 -54.33 -58.9 5.65 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 113.062 -1.881 . . . . 0.0 113.042 167.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.253 0.0 OUTLIER -43.21 -55.93 3.71 Favored 'General case' 1 N--CA 1.552 4.637 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 170.781 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . 0.408 16.3 m95 -51.1 -42.33 60.58 Favored 'General case' 0 C--N 1.375 1.68 0 N-CA-C 118.661 2.837 . . . . 0.0 118.661 171.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.285 9.0 t-20 145.77 86.09 0.0 OUTLIER 'General case' 0 C--O 1.258 1.542 0 N-CA-C 102.213 -3.254 . . . . 0.0 102.213 155.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.458 HG22 HG21 ' A' ' 82' ' ' THR . 11.4 t -168.21 98.52 0.01 OUTLIER 'Isoleucine or valine' 1 CA--C 1.636 4.269 0 CA-C-N 120.92 1.691 . . . . 0.0 110.911 -174.379 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.293 19.4 pt-20 -114.34 43.97 1.79 Allowed 'General case' 1 CA--C 1.656 5.053 2 CA-C-N 100.02 -7.809 . . . . 0.0 113.008 143.936 . . . . . . . . 4 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.75 114.37 4.29 Favored 'General case' 0 CA--C 1.615 3.465 0 CA-C-O 126.771 3.177 . . . . 0.0 111.33 -169.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . 0.398 33.2 mmt -82.7 106.17 6.31 Favored Pre-proline 0 N--CA 1.518 2.952 0 CA-C-O 113.388 -3.196 . . . . 0.0 109.217 175.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.421 ' CG ' ' SG ' ' A' ' 41' ' ' CYS . 31.2 Cg_endo -151.94 152.15 0.0 OUTLIER 'Cis proline' 0 CA--C 1.591 3.358 3 CA-C-N 130.816 4.899 . . . . 0.0 116.563 -1.015 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 32' ' ' ASP . 4.7 m -107.48 135.41 49.01 Favored 'General case' 0 CA--C 1.586 2.331 1 CA-C-N 105.753 -5.203 . . . . 0.0 105.777 -147.065 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -126.74 134.4 50.64 Favored 'General case' 0 C--O 1.205 -1.241 0 C-N-CA 130.297 3.439 . . . . 0.0 102.473 175.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.506 HG23 HD13 ' A' ' 91' ' ' LEU 0.305 11.9 mt -136.42 124.77 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.35 0 CA-C-O 127.286 3.422 . . . . 0.0 107.368 -174.008 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -104.65 107.1 17.87 Favored 'General case' 0 CA--C 1.625 3.863 1 CA-C-N 108.324 -4.035 . . . . 0.0 104.442 -175.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . 0.329 0.1 OUTLIER -130.82 132.05 45.0 Favored 'General case' 0 CA--C 1.582 2.205 0 N-CA-C 101.415 -3.55 . . . . 0.0 101.415 -178.56 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -137.18 -179.48 5.74 Favored 'General case' 0 CA--C 1.604 3.044 0 CA-C-N 108.734 -3.848 . . . . 0.0 106.744 -171.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -57.59 52.29 0.0 OUTLIER 'General case' 0 CA--C 1.589 2.475 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 157.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -178.03 44.92 0.09 OUTLIER Glycine 0 C--O 1.269 2.304 1 C-N-CA 131.659 4.457 . . . . 0.0 111.169 169.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.327 48.3 mtmt 62.03 -162.61 0.28 Allowed 'General case' 0 C--N 1.359 1.019 0 O-C-N 118.135 -2.979 . . . . 0.0 114.364 -172.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.506 HD13 HG23 ' A' ' 84' ' ' ILE . 49.2 tp -57.76 102.72 0.1 Allowed 'General case' 0 N--CA 1.536 3.864 0 CA-C-O 126.102 2.858 . . . . 0.0 108.367 166.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.519 32.7 m -65.64 -54.11 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.693 0 C-N-CA 126.591 1.956 . . . . 0.0 113.478 163.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -161.16 178.83 8.9 Favored 'General case' 0 C--O 1.262 1.753 0 O-C-N 118.979 -2.325 . . . . 0.0 113.931 -165.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.25 139.06 17.99 Favored 'General case' 0 CA--C 1.577 1.985 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -168.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.8 m -157.02 132.9 9.49 Favored 'General case' 0 CA--C 1.623 3.782 0 C-N-CA 124.634 1.174 . . . . 0.0 108.446 -178.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.301 2.3 p -133.29 102.23 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.994 0 O-C-N 128.531 3.644 . . . . 0.0 106.944 -175.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 159.2 88.15 0.07 OUTLIER Glycine 0 C--O 1.289 3.543 1 O-C-N 131.224 5.327 . . . . 0.0 116.017 163.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.28 122.91 5.76 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 117.595 2.443 . . . . 0.0 117.595 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -160.16 129.03 4.94 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 -172.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.28 0.0 OUTLIER -39.6 -57.57 1.46 Allowed 'General case' 0 CA--C 1.604 3.026 1 N-CA-C 122.07 4.1 . . . . 0.0 122.07 -178.891 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.301 6.4 p-10 -73.91 -47.75 35.66 Favored 'General case' 0 CA--C 1.626 3.871 0 CA-C-N 112.111 -2.313 . . . . 0.0 116.573 171.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -36.58 -64.53 0.61 Allowed Glycine 0 C--N 1.29 -1.98 0 C-N-CA 128.794 3.092 . . . . 0.0 119.171 175.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.481 ' HB3' ' HD3' ' A' ' 104' ' ' PRO . 21.9 tp -48.25 -59.92 5.21 Favored Pre-proline 0 CA--C 1.576 1.962 0 N-CA-C 118.163 2.653 . . . . 0.0 118.163 166.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.481 ' HD3' ' HB3' ' A' ' 103' ' ' LEU . 84.7 Cg_exo -44.61 -50.36 8.32 Favored 'Trans proline' 0 C--N 1.395 3.008 0 N-CA-C 119.334 2.782 . . . . 0.0 119.334 167.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.4 5.2 m -53.07 -54.42 35.76 Favored 'General case' 0 N--CA 1.533 3.698 0 N-CA-C 120.561 3.541 . . . . 0.0 120.561 172.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 38.5 tp -61.33 -48.71 80.09 Favored 'General case' 0 CA--C 1.583 2.224 0 C-N-CA 128.261 2.624 . . . . 0.0 112.939 174.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 99.3 t -58.28 -37.8 65.12 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.763 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 169.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.87 -56.18 25.56 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 125.086 1.491 . . . . 0.0 114.916 161.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . 0.29 46.8 mttt -48.69 -42.64 35.46 Favored 'General case' 0 C--O 1.263 1.785 0 N-CA-C 118.489 2.774 . . . . 0.0 118.489 170.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.317 33.9 m-70 -64.25 -68.87 0.32 Allowed 'General case' 0 C--O 1.194 -1.831 0 N-CA-C 119.983 3.327 . . . . 0.0 119.983 164.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -42.6 -40.34 2.66 Favored 'General case' 0 N--CA 1.528 3.438 0 N-CA-C 120.61 3.559 . . . . 0.0 120.61 168.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . 0.26 34.6 m -61.57 -64.81 0.82 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 119.562 -1.961 . . . . 0.0 113.295 162.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.446 0 CA-C-N 123.51 2.868 . . . . 0.0 116.108 166.021 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.57 1.735 0 CA-C-O 124.333 2.016 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -157.19 105.33 2.11 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 124.34 2.019 . . . . 0.0 109.412 -171.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -159.94 158.13 30.17 Favored 'General case' 0 C--N 1.37 1.471 0 CA-C-N 111.157 -2.747 . . . . 0.0 113.952 -175.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.05 158.43 25.47 Favored Glycine 0 N--CA 1.499 2.873 0 CA-C-N 114.31 -1.313 . . . . 0.0 115.455 162.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -151.92 121.64 6.98 Favored 'General case' 0 CA--C 1.571 1.761 0 O-C-N 118.226 -2.926 . . . . 0.0 107.642 -169.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.2 t -85.99 130.26 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.608 3.204 0 C-N-CA 129.329 3.052 . . . . 0.0 112.391 173.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.373 0.4 OUTLIER -129.5 128.76 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.693 0 C-N-CA 129.288 3.035 . . . . 0.0 109.122 -172.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.69 137.64 56.25 Favored 'General case' 0 CA--C 1.577 1.995 0 N-CA-C 119.803 3.261 . . . . 0.0 119.803 157.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.515 ' SG ' HD13 ' A' ' 61' ' ' LEU . 72.6 m -143.87 135.1 25.72 Favored 'General case' 0 CA--C 1.588 2.414 0 CA-C-N 110.62 -2.991 . . . . 0.0 108.352 -171.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -139.79 -41.26 0.44 Allowed 'General case' 0 C--N 1.382 2.008 0 CA-C-N 110.573 -3.012 . . . . 0.0 115.521 -150.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.0 p -147.06 -168.75 3.13 Favored 'General case' 0 CA--C 1.584 2.286 0 O-C-N 118.803 -2.435 . . . . 0.0 107.385 -166.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 p -52.07 -23.43 3.95 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.613 0 C-N-CA 124.893 1.277 . . . . 0.0 112.05 167.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.56 -39.23 15.99 Favored 'General case' 0 CA--C 1.572 1.819 0 O-C-N 117.813 -3.055 . . . . 0.0 117.578 166.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.357 0.6 OUTLIER -64.42 -38.7 91.96 Favored 'General case' 0 N--CA 1.521 3.096 0 CA-C-O 115.358 -2.258 . . . . 0.0 115.06 166.255 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.411 ' NE1' HG21 ' A' ' 71' ' ' VAL 0.322 35.8 m95 -46.8 -42.89 17.78 Favored 'General case' 0 N--CA 1.522 3.145 0 O-C-N 125.963 2.039 . . . . 0.0 116.434 160.647 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -62.31 -57.05 12.79 Favored 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 121.069 3.729 . . . . 0.0 121.069 154.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -50.56 -60.68 2.78 Favored 'General case' 0 N--CA 1.528 3.468 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -54.07 -60.69 3.0 Favored 'General case' 0 N--CA 1.52 3.048 0 C-N-CA 129.899 3.28 . . . . 0.0 115.713 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.328 21.5 t80 -53.72 -59.81 4.13 Favored 'General case' 0 CA--C 1.599 2.83 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 176.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -49.9 -49.01 51.23 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 119.498 3.147 . . . . 0.0 119.498 170.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.274 22.4 mmtp -62.4 -63.18 1.31 Allowed 'General case' 0 N--CA 1.512 2.67 0 CA-C-O 117.659 -1.163 . . . . 0.0 113.784 170.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -38.24 -82.15 0.02 OUTLIER Glycine 1 CA--C 1.582 4.276 0 CA-C-O 125.476 2.709 . . . . 0.0 115.961 175.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -75.86 96.85 3.78 Favored 'General case' 0 CA--C 1.564 1.482 0 CA-C-O 124.543 2.116 . . . . 0.0 106.351 161.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.66 -46.63 0.34 Allowed Glycine 0 CA--C 1.571 3.559 0 CA-C-O 126.085 3.047 . . . . 0.0 114.302 166.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.9 m -117.78 123.35 45.77 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 103.87 -2.641 . . . . 0.0 103.87 -166.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -56.98 76.63 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 N-CA-C 117.884 2.55 . . . . 0.0 117.884 168.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -158.14 162.84 37.99 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.245 1.418 . . . . 0.0 110.758 -174.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.2 tp -75.71 151.36 37.68 Favored 'General case' 0 N--CA 1.525 3.295 0 C-N-CA 125.278 1.431 . . . . 0.0 114.597 148.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 86' ' ' LEU . 1.9 pt -145.94 127.61 8.04 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.447 0 C-N-CA 130.089 3.355 . . . . 0.0 106.775 176.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.4 t -133.82 142.85 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.967 0 C-N-CA 130.285 3.434 . . . . 0.0 102.847 -162.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.413 HG13 ' HE2' ' A' ' 33' ' ' PHE 0.369 2.5 p -150.15 122.53 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.526 3.346 0 O-C-N 116.676 -3.765 . . . . 0.0 104.744 -162.405 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -81.01 141.59 34.25 Favored 'General case' 0 CA--C 1.577 2.008 0 C-N-CA 128.645 2.778 . . . . 0.0 106.443 159.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.413 ' HE2' HG13 ' A' ' 31' ' ' VAL . 96.8 m-85 -123.78 105.59 9.79 Favored 'General case' 0 N--CA 1.509 2.508 0 C-N-CA 131.134 3.774 . . . . 0.0 102.414 171.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.408 ' HA ' ' SD ' ' A' ' 80' ' ' MET . 4.1 t -152.07 142.9 22.97 Favored 'General case' 1 CA--C 1.629 4.008 0 CA-C-O 127.26 3.409 . . . . 0.0 104.561 -171.326 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.321 . . -81.37 153.57 26.92 Favored 'General case' 0 N--CA 1.528 3.437 1 CA-C-N 107.78 -4.282 . . . . 0.0 114.345 168.667 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 t -54.84 -40.75 69.95 Favored 'General case' 0 CA--C 1.577 2.011 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 161.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.26 34.8 p-90 -71.45 74.52 0.76 Allowed 'General case' 0 CA--C 1.579 2.088 0 C-N-CA 130.832 3.653 . . . . 0.0 113.777 161.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.4 t -164.41 91.46 1.03 Allowed Pre-proline 0 CA--C 1.592 2.58 0 O-C-N 125.679 1.862 . . . . 0.0 107.025 -176.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -56.33 -49.35 15.39 Favored 'Trans proline' 1 CA--C 1.607 4.154 1 C-N-CA 126.879 5.053 . . . . 0.0 115.533 159.738 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -39.98 -53.69 2.35 Favored 'Trans proline' 0 N--CA 1.527 3.487 1 CA-C-N 128.789 4.175 . . . . 0.0 116.743 167.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.641 2.3 m -61.43 -40.2 93.57 Favored 'General case' 0 N--CA 1.509 2.52 0 N-CA-C 120.649 3.574 . . . . 0.0 120.649 168.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -47.78 -44.36 28.4 Favored 'General case' 0 N--CA 1.484 1.236 1 N-CA-C 122.844 4.387 . . . . 0.0 122.844 166.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.258 15.5 ptm -63.26 -50.86 68.5 Favored 'General case' 1 N--CA 1.545 4.3 0 O-C-N 128.521 3.638 . . . . 0.0 115.425 158.758 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.537 1.0 OUTLIER -49.76 -21.72 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.836 1 N-CA-C 123.647 4.684 . . . . 0.0 123.647 169.039 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.85 -68.33 0.84 Allowed Pre-proline 0 CA--C 1.576 1.96 0 CA-C-O 114.886 -2.483 . . . . 0.0 108.509 163.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -44.85 -47.72 11.48 Favored 'Trans proline' 0 C--N 1.37 1.703 1 N-CA-C 124.396 4.729 . . . . 0.0 124.396 166.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.264 32.5 mm -53.75 -53.44 26.4 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.95 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 167.236 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -52.04 -49.04 64.23 Favored 'General case' 1 N--CA 1.55 4.57 0 CA-C-O 118.48 -0.771 . . . . 0.0 112.505 170.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.07 -56.23 20.02 Favored 'General case' 0 C--N 1.375 1.676 0 N-CA-C 119.358 3.096 . . . . 0.0 119.358 167.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.255 41.5 tt0 -48.96 -53.07 21.36 Favored 'General case' 0 N--CA 1.517 2.895 1 O-C-N 113.238 -5.914 . . . . 0.0 120.508 169.444 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.42 HD21 HG11 ' A' ' 107' ' ' VAL . 0.3 OUTLIER -50.94 -49.21 60.27 Favored 'General case' 0 CA--C 1.587 2.372 0 CA-C-O 114.619 -2.61 . . . . 0.0 114.311 160.573 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.19 -50.18 16.05 Favored 'General case' 0 C--O 1.276 2.451 0 N-CA-C 118.323 2.712 . . . . 0.0 118.323 166.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -61.5 -29.44 69.98 Favored 'General case' 0 CA--C 1.6 2.875 0 N-CA-C 118.013 2.597 . . . . 0.0 118.013 170.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -71.23 -29.84 65.61 Favored 'General case' 0 CA--C 1.578 2.034 0 C-N-CA 129.5 3.12 . . . . 0.0 114.108 173.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -136.05 98.14 11.85 Favored Pre-proline 0 CA--C 1.603 2.984 0 C-N-CA 127.212 2.205 . . . . 0.0 108.231 -157.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.261 1.8 Cg_endo -71.83 -24.47 21.21 Favored 'Trans proline' 0 CA--C 1.593 3.462 2 C-N-CA 131.788 8.326 . . . . 0.0 125.345 173.872 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -75.25 12.46 0.93 Allowed 'General case' 0 N--CA 1.535 3.815 0 C-N-CA 130.184 3.393 . . . . 0.0 114.328 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.403 1.6 p -150.11 103.27 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.151 0 CA-C-O 124.084 1.897 . . . . 0.0 109.386 -154.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.7 m -62.45 147.84 47.43 Favored 'General case' 0 CA--C 1.624 3.807 0 CA-C-O 125.228 2.442 . . . . 0.0 109.114 160.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -141.66 132.32 25.57 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 109.902 -3.317 . . . . 0.0 107.723 -176.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.515 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.347 1.0 OUTLIER -143.39 159.92 41.5 Favored 'General case' 0 CA--C 1.627 3.935 0 CA-C-N 110.38 -3.1 . . . . 0.0 107.073 -174.015 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.4 ptmm? -150.84 110.93 4.12 Favored 'General case' 0 N--CA 1.518 2.945 0 CA-C-N 112.779 -2.009 . . . . 0.0 110.271 -170.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.3 t -93.31 116.59 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.906 1 C-N-CA 132.624 4.37 . . . . 0.0 109.416 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . 0.265 11.2 t70 -64.4 96.99 0.18 Allowed 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 110.431 -3.077 . . . . 0.0 108.587 158.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.483 HG11 ' SD ' ' A' ' 80' ' ' MET 0.349 0.3 OUTLIER -57.39 -28.48 30.94 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.51 0 CA-C-O 112.76 -3.495 . . . . 0.0 119.022 174.282 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -49.74 -38.38 33.34 Favored 'General case' 1 CA--C 1.63 4.048 0 O-C-N 127.091 2.744 . . . . 0.0 117.986 168.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -77.33 -24.83 50.75 Favored 'General case' 0 CA--C 1.621 3.7 0 N-CA-C 120.127 3.38 . . . . 0.0 120.127 164.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.251 61.4 mt -138.73 37.43 2.2 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 127.035 2.134 . . . . 0.0 114.382 -158.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.39 11.1 ptpt -53.68 -47.1 70.74 Favored 'General case' 0 CA--C 1.574 1.88 1 N-CA-C 123.152 4.501 . . . . 0.0 123.152 167.228 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.35 -59.77 3.68 Favored 'General case' 0 CA--C 1.599 2.845 0 C-N-CA 127.758 2.423 . . . . 0.0 114.387 175.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.411 HG21 ' NE1' ' A' ' 15' ' ' TRP 0.457 2.1 p -54.34 -46.76 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.665 0 N-CA-C 119.134 3.013 . . . . 0.0 119.134 166.858 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.35 -44.43 62.05 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 115.927 -1.987 . . . . 0.0 113.409 170.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . 0.256 17.8 tt0 -54.4 -57.13 12.46 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 127.755 2.422 . . . . 0.0 111.973 169.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.314 0.0 OUTLIER -52.09 -53.65 39.91 Favored 'General case' 0 N--CA 1.523 3.205 0 CA-C-O 111.937 -3.887 . . . . 0.0 115.792 177.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -53.91 -45.84 71.27 Favored 'General case' 0 CA--C 1.61 3.271 0 O-C-N 128.144 3.402 . . . . 0.0 110.29 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . 0.63 23.3 t-20 153.55 67.9 0.0 OUTLIER 'General case' 0 N--CA 1.522 3.126 0 C-N-CA 130.003 3.321 . . . . 0.0 115.02 155.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.472 HG22 HG21 ' A' ' 82' ' ' THR . 85.9 t -144.99 82.66 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.334 1 CA-C-O 130.32 4.866 . . . . 0.0 104.337 -161.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -72.65 -1.7 17.25 Favored 'General case' 0 CA--C 1.597 2.775 2 CA-C-N 106.85 -4.705 . . . . 0.0 122.919 149.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . 0.501 . . -148.36 123.67 10.25 Favored 'General case' 0 CA--C 1.628 3.953 0 O-C-N 128.679 3.737 . . . . 0.0 112.737 -160.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.483 ' SD ' HG11 ' A' ' 65' ' ' VAL 0.355 32.1 mmt -66.61 110.11 4.4 Favored Pre-proline 0 CA--C 1.624 3.816 0 CA-C-N 122.128 2.24 . . . . 0.0 114.554 149.409 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.307 84.4 Cg_endo -148.16 153.84 0.0 OUTLIER 'Cis proline' 0 N--CA 1.535 3.967 1 N-CA-C 124.22 4.661 . . . . 0.0 124.22 -8.047 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.472 HG21 HG22 ' A' ' 77' ' ' VAL . 90.0 m -117.67 139.15 51.4 Favored 'General case' 0 N--CA 1.53 3.529 1 CA-C-N 104.832 -5.622 . . . . 0.0 101.646 -140.761 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -133.96 110.1 9.46 Favored 'General case' 0 N--CA 1.511 2.593 1 O-C-N 130.728 5.017 . . . . 0.0 101.764 -169.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.3 mt -123.91 148.59 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 1 C-N-CA 132.015 4.126 . . . . 0.0 111.155 -172.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -131.46 113.19 13.4 Favored 'General case' 0 N--CA 1.526 3.368 1 CA-C-N 107.801 -4.272 . . . . 0.0 110.411 -163.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.463 ' O ' HG12 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -138.29 120.72 16.01 Favored 'General case' 0 N--CA 1.512 2.668 1 O-C-N 129.593 4.308 . . . . 0.0 102.066 -169.982 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -125.72 173.47 9.0 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 127.82 2.448 . . . . 0.0 108.608 -169.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . 0.281 3.1 p30 -47.2 26.86 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.081 1 N-CA-C 122.329 4.196 . . . . 0.0 122.329 158.006 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.57 48.32 0.36 Allowed Glycine 0 C--N 1.258 -3.8 0 C-N-CA 125.55 1.548 . . . . 0.0 112.316 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.357 35.6 mtmt 48.74 -172.71 0.02 OUTLIER 'General case' 0 N--CA 1.519 3.0 0 N-CA-C 116.709 2.114 . . . . 0.0 116.709 -170.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.7 tp -59.63 101.63 0.12 Allowed 'General case' 0 C--N 1.27 -2.891 0 C-N-CA 130.462 3.505 . . . . 0.0 112.019 -175.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.646 29.3 m -71.31 -42.99 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 129.69 3.196 . . . . 0.0 117.528 175.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -166.28 168.47 15.09 Favored 'General case' 0 N--CA 1.517 2.924 0 CA-C-N 123.024 2.647 . . . . 0.0 110.827 -171.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.9 128.72 5.71 Favored 'General case' 0 N--CA 1.502 2.146 0 CA-C-O 123.9 1.81 . . . . 0.0 109.621 -171.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.7 m -156.43 150.56 25.24 Favored 'General case' 1 CA--C 1.632 4.122 1 O-C-N 115.972 -4.205 . . . . 0.0 104.33 -174.488 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.276 1.9 p -145.93 102.49 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.257 -3.43 0 N-CA-C 104.21 -2.515 . . . . 0.0 104.21 -173.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 167.81 91.59 0.08 OUTLIER Glycine 0 N--CA 1.419 -2.478 0 CA-C-N 110.653 -2.976 . . . . 0.0 114.749 168.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -46.57 120.08 2.74 Favored 'General case' 0 C--O 1.198 -1.605 0 N-CA-C 118.175 2.657 . . . . 0.0 118.175 169.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -156.47 128.99 7.63 Favored 'General case' 0 N--CA 1.531 3.58 0 O-C-N 119.61 -1.931 . . . . 0.0 107.556 -172.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . 0.547 0.0 OUTLIER -44.44 -61.15 1.63 Allowed 'General case' 1 CA--C 1.633 4.151 0 CA-C-O 126.944 3.259 . . . . 0.0 115.94 177.509 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.392 17.5 p-10 -75.08 -52.06 11.95 Favored 'General case' 1 N--CA 1.54 4.039 0 CA-C-N 112.163 -2.29 . . . . 0.0 114.465 175.733 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -39.27 -57.09 2.22 Favored Glycine 0 N--CA 1.469 0.857 1 N-CA-C 123.423 4.129 . . . . 0.0 123.423 174.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.4 57.4 tp -44.93 -62.26 1.75 Allowed Pre-proline 0 N--CA 1.524 3.262 0 O-C-N 119.502 -2.175 . . . . 0.0 114.585 170.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -55.78 -34.18 90.27 Favored 'Trans proline' 0 C--O 1.267 1.947 0 C-N-CA 124.748 3.632 . . . . 0.0 118.337 167.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.9 m -59.68 -59.22 5.79 Favored 'General case' 0 CA--C 1.604 3.049 0 CA-C-N 121.47 1.941 . . . . 0.0 114.718 169.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 33.1 tp -47.95 -55.72 9.31 Favored 'General case' 0 CA--C 1.591 2.528 0 O-C-N 127.266 2.854 . . . . 0.0 116.096 171.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.42 HG11 HD21 ' A' ' 51' ' ' LEU . 54.3 t -53.82 -54.3 20.71 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.113 0 C-N-CA 129.211 3.004 . . . . 0.0 115.677 169.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.75 -52.8 8.04 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-N 119.929 1.24 . . . . 0.0 113.972 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -49.74 -53.33 25.54 Favored 'General case' 0 C--N 1.365 1.256 1 N-CA-C 122.661 4.319 . . . . 0.0 122.661 160.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.251 52.8 m-70 -58.66 -46.88 86.21 Favored 'General case' 0 N--CA 1.525 3.317 0 N-CA-C 120.417 3.488 . . . . 0.0 120.417 170.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.09 -57.29 11.63 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 114.572 -2.632 . . . . 0.0 116.697 167.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 13.3 m -57.04 -58.15 9.42 Favored 'General case' 0 C--O 1.251 1.173 0 O-C-N 127.569 3.043 . . . . 0.0 110.137 170.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--O 1.35 6.365 0 CA-C-O 113.113 -3.327 . . . . 0.0 118.382 174.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.972 0 CA-C-O 119.58 -0.248 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -149.09 122.51 9.06 Favored 'General case' 0 CA--C 1.571 1.769 0 C-N-CA 127.797 2.439 . . . . 0.0 106.785 -175.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -158.47 156.67 30.74 Favored 'General case' 0 C--O 1.253 1.287 0 CA-C-O 122.678 1.227 . . . . 0.0 110.288 -174.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.42 160.5 27.98 Favored Glycine 0 CA--C 1.558 2.719 0 CA-C-N 112.466 -2.152 . . . . 0.0 117.868 159.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -155.01 129.33 9.0 Favored 'General case' 0 C--N 1.375 1.686 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -168.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -84.4 131.11 34.75 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.802 1 O-C-N 129.298 4.124 . . . . 0.0 106.707 174.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 61' ' ' LEU 0.332 0.2 OUTLIER -133.21 119.09 34.49 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.087 0 C-N-CA 130.318 3.447 . . . . 0.0 104.849 -174.161 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.47 135.82 57.16 Favored 'General case' 1 CA--C 1.646 4.642 0 CA-C-O 125.297 2.475 . . . . 0.0 114.562 163.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.7 m -128.43 138.44 52.31 Favored 'General case' 0 CA--C 1.609 3.223 0 CA-C-N 109.273 -3.603 . . . . 0.0 114.217 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.8 m170 -133.51 -47.67 0.82 Allowed 'General case' 0 N--CA 1.522 3.129 1 CA-C-N 108.032 -4.167 . . . . 0.0 116.038 -160.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.4 p -146.44 -169.5 3.28 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 112.609 -2.087 . . . . 0.0 112.709 -158.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.414 5.8 p -51.36 -14.89 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.588 2.416 1 N-CA-C 122.439 4.237 . . . . 0.0 122.439 170.568 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.264 0.9 OUTLIER -61.22 -47.96 83.7 Favored 'General case' 0 CA--C 1.586 2.34 0 CA-C-N 113.396 -1.729 . . . . 0.0 114.221 160.037 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.256 1.0 OUTLIER -50.89 -34.56 28.77 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 115.243 -2.313 . . . . 0.0 116.857 164.801 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.426 ' NE1' HG21 ' A' ' 71' ' ' VAL 0.352 28.8 m95 -49.48 -55.88 11.71 Favored 'General case' 0 CA--C 1.612 3.363 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 163.07 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -55.85 -40.18 72.49 Favored 'General case' 0 N--CA 1.511 2.612 0 N-CA-C 118.994 2.961 . . . . 0.0 118.994 162.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.278 49.2 mt-10 -72.83 -61.49 1.79 Allowed 'General case' 0 CA--C 1.575 1.939 0 C-N-CA 128.531 2.732 . . . . 0.0 117.716 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -57.74 -60.43 3.71 Favored 'General case' 0 C--O 1.259 1.566 0 C-N-CA 128.07 2.548 . . . . 0.0 113.787 176.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.404 12.0 t80 -56.72 -59.06 5.57 Favored 'General case' 0 N--CA 1.515 2.809 0 N-CA-C 117.044 2.239 . . . . 0.0 117.044 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.324 3.7 mm-40 -57.68 -44.41 85.78 Favored 'General case' 0 CA--C 1.598 2.82 0 C-N-CA 126.704 2.002 . . . . 0.0 115.124 174.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.308 23.3 mmtp -57.04 -62.13 1.97 Allowed 'General case' 0 CA--C 1.582 2.19 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 165.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.23 -84.62 0.03 OUTLIER Glycine 0 CA--C 1.57 3.5 0 C-N-CA 127.261 2.362 . . . . 0.0 116.273 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -69.79 86.35 0.5 Allowed 'General case' 0 CA--C 1.585 2.322 0 CA-C-O 125.944 2.783 . . . . 0.0 112.88 159.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.92 -48.23 0.46 Allowed Glycine 0 C--N 1.379 2.919 0 CA-C-N 111.613 -2.54 . . . . 0.0 118.649 161.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.352 26.8 m -82.97 134.44 35.06 Favored 'General case' 0 CA--C 1.587 2.396 0 CA-C-N 108.955 -3.622 . . . . 0.0 107.322 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.307 22.0 mp0 -61.84 70.25 0.01 OUTLIER 'General case' 0 CA--C 1.579 2.076 0 C-N-CA 127.35 2.26 . . . . 0.0 111.549 174.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -163.82 159.22 20.94 Favored 'General case' 0 CA--C 1.563 1.456 0 CA-C-O 124.032 1.873 . . . . 0.0 111.331 -176.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.599 HD21 ' HB3' ' A' ' 110' ' ' HIS . 25.3 tp -86.29 149.07 25.32 Favored 'General case' 0 CA--C 1.557 1.217 0 CA-C-N 109.315 -3.584 . . . . 0.0 107.218 162.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.5 pt -143.09 127.11 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.119 1 N-CA-C 99.92 -4.104 . . . . 0.0 99.92 -177.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.4 t -134.3 117.9 26.0 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.962 0 N-CA-C 101.858 -3.386 . . . . 0.0 101.858 -168.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.5 p -137.74 109.73 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.624 3.792 0 O-C-N 118.536 -2.603 . . . . 0.0 110.339 -156.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -73.13 148.11 44.22 Favored 'General case' 0 CA--C 1.606 3.106 1 O-C-N 130.09 4.619 . . . . 0.0 111.29 170.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -143.88 104.49 4.17 Favored 'General case' 0 C--O 1.276 2.458 1 N-CA-C 97.179 -5.119 . . . . 0.0 97.179 -171.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.7 t -151.12 145.75 25.67 Favored 'General case' 0 C--O 1.271 2.198 1 CA-C-O 131.562 5.458 . . . . 0.0 100.436 -166.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.17 145.35 37.74 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 108.916 -3.766 . . . . 0.0 112.679 167.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.7 t -54.45 -49.25 70.48 Favored 'General case' 0 N--CA 1.534 3.774 1 CA-C-O 110.852 -4.404 . . . . 0.0 114.169 161.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -59.21 76.4 0.01 OUTLIER 'General case' 1 CA--C 1.644 4.578 1 O-C-N 129.58 4.3 . . . . 0.0 115.92 158.652 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.9 t -164.31 79.39 1.44 Allowed Pre-proline 0 N--CA 1.534 3.748 0 CA-C-N 120.205 1.366 . . . . 0.0 110.505 -171.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.88 -43.97 38.82 Favored 'Trans proline' 1 CA--C 1.613 4.452 1 C-N-CA 125.491 4.128 . . . . 0.0 115.982 163.42 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.287 52.8 Cg_exo -46.06 -58.5 1.62 Allowed 'Trans proline' 0 CA--C 1.593 3.43 0 C-N-CA 124.377 3.384 . . . . 0.0 115.649 165.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.649 ' HA ' HG22 ' A' ' 44' ' ' ILE 0.443 38.6 m -56.48 -28.21 59.1 Favored 'General case' 0 C--N 1.363 1.183 1 N-CA-C 123.889 4.774 . . . . 0.0 123.889 158.706 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.288 81.8 tttt -51.41 -52.31 47.21 Favored 'General case' 0 CA--C 1.603 3.012 0 CA-C-N 122.657 2.481 . . . . 0.0 111.442 168.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.389 4.4 ptt? -61.96 -52.88 62.24 Favored 'General case' 0 N--CA 1.53 3.563 0 N-CA-C 119.714 3.227 . . . . 0.0 119.714 156.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.649 HG22 ' HA ' ' A' ' 41' ' ' CYS 0.617 1.2 tp -43.89 -37.5 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.364 1 N-CA-C 122.271 4.174 . . . . 0.0 122.271 177.865 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.21 -52.79 70.13 Favored Pre-proline 0 N--CA 1.504 2.254 0 CA-C-O 115.716 -2.088 . . . . 0.0 114.822 165.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.84 -48.33 18.27 Favored 'Trans proline' 0 C--N 1.385 2.463 0 CA-C-N 124.57 2.668 . . . . 0.0 118.743 158.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.269 51.5 mm -55.3 -52.19 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.192 0 O-C-N 118.266 -2.771 . . . . 0.0 111.648 172.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -57.43 -43.69 84.05 Favored 'General case' 0 CA--C 1.6 2.883 0 O-C-N 119.272 -2.143 . . . . 0.0 113.11 175.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.54 -46.33 87.06 Favored 'General case' 0 CA--C 1.579 2.073 1 N-CA-C 123.239 4.533 . . . . 0.0 123.239 160.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.331 18.6 tt0 -54.22 -42.67 70.09 Favored 'General case' 0 N--CA 1.513 2.706 0 CA-C-O 128.031 3.777 . . . . 0.0 117.263 165.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -59.42 -52.65 64.69 Favored 'General case' 0 C--N 1.279 -2.498 0 CA-C-N 112.047 -2.342 . . . . 0.0 115.352 171.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.6 -46.05 73.73 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 118.03 2.604 . . . . 0.0 118.03 170.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -51.64 -43.54 62.65 Favored 'General case' 0 CA--C 1.618 3.572 0 C-N-CA 125.515 1.526 . . . . 0.0 114.978 164.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.3 36.9 ttmt -62.47 -31.04 71.71 Favored 'General case' 0 CA--C 1.607 3.147 0 N-CA-C 117.078 2.251 . . . . 0.0 117.078 173.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.494 ' HB3' ' CG1' ' A' ' 58' ' ' VAL . 4.7 m-85 -134.38 93.09 19.56 Favored Pre-proline 0 CA--C 1.611 3.309 0 C-N-CA 129.815 3.246 . . . . 0.0 109.463 -153.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -67.22 -29.85 38.5 Favored 'Trans proline' 0 CA--C 1.575 2.568 2 C-N-CA 130.754 7.636 . . . . 0.0 126.308 172.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -66.25 0.19 2.2 Favored 'General case' 0 C--O 1.274 2.392 0 O-C-N 126.366 2.291 . . . . 0.0 116.37 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 55' ' ' PHE 0.272 4.3 p -146.9 112.95 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.404 0 CA-C-O 124.477 2.084 . . . . 0.0 106.996 -148.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 95.8 m -70.34 154.07 42.32 Favored 'General case' 0 N--CA 1.526 3.369 0 CA-C-N 111.077 -2.783 . . . . 0.0 111.39 164.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -149.21 134.08 17.94 Favored 'General case' 0 CA--C 1.573 1.859 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -171.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.451 ' HA ' ' O ' ' A' ' 7' ' ' ILE . 2.7 pp -154.71 164.8 38.23 Favored 'General case' 0 C--N 1.388 2.264 0 N-CA-C 104.373 -2.455 . . . . 0.0 104.373 -171.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -156.5 127.59 6.93 Favored 'General case' 0 CA--C 1.558 1.276 0 O-C-N 118.434 -2.666 . . . . 0.0 112.557 -169.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.7 t -93.19 124.79 45.74 Favored 'Isoleucine or valine' 0 C--O 1.248 0.993 0 CA-C-O 126.379 2.99 . . . . 0.0 107.828 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -70.8 107.67 4.1 Favored 'General case' 1 N--CA 1.561 5.112 1 O-C-N 115.992 -4.192 . . . . 0.0 108.2 146.86 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.373 0.3 OUTLIER -64.98 -43.04 96.21 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.408 0 C-N-CA 127.889 2.476 . . . . 0.0 114.627 -177.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.71 -45.99 4.93 Favored 'General case' 0 N--CA 1.521 3.091 0 O-C-N 119.532 -1.98 . . . . 0.0 114.607 168.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -53.72 -52.2 60.85 Favored 'General case' 0 CA--C 1.568 1.649 0 N-CA-C 121.77 3.989 . . . . 0.0 121.77 160.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.0 mt -134.01 45.95 2.57 Favored 'General case' 0 CA--C 1.604 3.055 0 C-N-CA 131.439 3.895 . . . . 0.0 112.975 -160.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . 0.507 19.0 ptpt -57.24 -45.18 84.16 Favored 'General case' 0 C--N 1.284 -2.248 0 O-C-N 118.692 -2.505 . . . . 0.0 116.61 172.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.72 -72.52 0.06 Allowed 'General case' 0 CA--C 1.576 1.954 0 C-N-CA 130.441 3.497 . . . . 0.0 118.562 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.426 HG21 ' NE1' ' A' ' 15' ' ' TRP . 7.1 p -64.53 -38.32 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.129 0 CA-C-N 108.837 -3.801 . . . . 0.0 117.76 166.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.67 -40.55 75.74 Favored 'General case' 0 N--CA 1.534 3.745 1 O-C-N 114.937 -4.852 . . . . 0.0 110.83 171.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 76' ' ' ASN 0.311 36.4 tt0 -57.71 -53.84 53.68 Favored 'General case' 0 C--N 1.285 -2.203 1 O-C-N 116.082 -4.136 . . . . 0.0 116.194 167.947 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.275 0.0 OUTLIER -53.17 -41.45 65.21 Favored 'General case' 0 C--O 1.304 3.969 0 N-CA-C 120.201 3.408 . . . . 0.0 120.201 172.649 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -59.74 -51.62 68.97 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 125.025 3.557 . . . . 0.0 112.975 161.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' A' ' 73' ' ' GLU . 5.4 t-20 153.53 83.95 0.0 OUTLIER 'General case' 2 CA--C 1.653 4.915 1 CA-C-O 129.478 4.466 . . . . 0.0 106.837 149.206 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.5 t -131.63 94.24 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.588 2.422 0 O-C-N 117.035 -3.54 . . . . 0.0 108.735 -176.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.27 0.0 OUTLIER -89.0 -26.24 21.57 Favored 'General case' 1 C--O 1.139 -4.733 1 CA-C-N 108.015 -4.175 . . . . 0.0 116.112 164.66 . . . . . . . . 5 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.66 144.05 30.18 Favored 'General case' 1 N--CA 1.541 4.118 0 O-C-N 116.587 -3.821 . . . . 0.0 109.851 -160.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.7 mmt -91.1 113.83 59.55 Favored Pre-proline 0 C--O 1.267 1.979 0 O-C-N 117.219 -3.426 . . . . 0.0 106.845 173.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.409 97.6 Cg_endo -155.62 142.45 0.0 OUTLIER 'Cis proline' 1 C--N 1.46 6.41 1 N-CA-C 123.871 4.527 . . . . 0.0 123.871 3.071 . . . . . . . . 4 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.7 m -122.2 127.72 50.33 Favored 'General case' 0 C--N 1.309 -1.186 1 CA-C-N 105.411 -5.359 . . . . 0.0 104.12 -134.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -119.08 121.17 39.22 Favored 'General case' 0 C--N 1.39 2.327 3 CA-C-N 107.384 -4.462 . . . . 0.0 99.377 -163.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.258 1.4 mt -122.32 161.36 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.396 0 CA-C-O 126.473 3.035 . . . . 0.0 106.357 -175.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -142.26 104.62 4.47 Favored 'General case' 1 N--CA 1.541 4.075 0 N-CA-C 102.441 -3.17 . . . . 0.0 102.441 -157.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.79 121.25 19.32 Favored 'General case' 0 CA--C 1.586 2.351 0 N-CA-C 102.394 -3.187 . . . . 0.0 102.394 -171.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -113.01 166.88 11.0 Favored 'General case' 0 CA--C 1.581 2.154 0 C-N-CA 130.834 3.653 . . . . 0.0 109.125 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -66.85 63.46 0.05 Allowed 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 119.245 3.054 . . . . 0.0 119.245 156.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 174.98 53.01 0.05 OUTLIER Glycine 0 CA--C 1.555 2.584 0 C-N-CA 129.502 3.43 . . . . 0.0 109.205 169.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.255 53.4 mtmt 65.24 -176.35 0.18 Allowed 'General case' 1 N--CA 1.539 4.022 1 C-N-CA 132.709 4.404 . . . . 0.0 121.746 -177.115 . . . . . . . . 4 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.43 96.85 0.12 Allowed 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 125.866 1.667 . . . . 0.0 114.477 171.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.289 29.2 m -67.3 -54.92 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.612 3.336 0 CA-C-O 115.821 -2.038 . . . . 0.0 115.656 174.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.02 169.15 24.01 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 120.157 3.391 . . . . 0.0 120.157 -169.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.9 128.3 3.21 Favored 'General case' 0 CA--C 1.579 2.06 0 O-C-N 125.006 1.441 . . . . 0.0 112.291 -170.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.5 m -146.55 148.58 32.3 Favored 'General case' 0 CA--C 1.582 2.176 0 C-N-CA 126.555 1.942 . . . . 0.0 106.546 -173.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -140.63 98.63 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.616 3.502 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 -165.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 174.48 121.19 0.62 Allowed Glycine 0 CA--C 1.558 2.771 0 O-C-N 128.674 3.734 . . . . 0.0 106.735 168.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . 0.324 . . -67.65 101.67 1.06 Allowed 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 112.148 -2.026 . . . . 0.0 111.804 159.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -152.56 115.16 4.53 Favored 'General case' 0 CA--C 1.562 1.429 0 N-CA-C 100.793 -3.78 . . . . 0.0 100.793 -170.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.15 -54.48 6.8 Favored 'General case' 0 N--CA 1.522 3.131 0 N-CA-C 118.979 2.955 . . . . 0.0 118.979 -177.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.256 6.1 p-10 -65.94 -56.8 9.88 Favored 'General case' 0 N--CA 1.511 2.622 0 C-N-CA 127.607 2.363 . . . . 0.0 114.704 167.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -34.9 -56.78 0.82 Allowed Glycine 1 N--CA 1.531 4.99 0 N-CA-C 120.847 3.099 . . . . 0.0 120.847 178.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . 0.33 17.7 tp -48.63 -63.25 1.67 Allowed Pre-proline 0 CA--C 1.611 3.296 0 C-N-CA 127.892 2.477 . . . . 0.0 113.886 170.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -47.67 -44.37 26.33 Favored 'Trans proline' 0 C--N 1.368 1.589 0 N-CA-C 121.795 3.729 . . . . 0.0 121.795 167.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . 0.325 5.7 m -48.13 -61.35 2.02 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 127.234 2.834 . . . . 0.0 115.261 175.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.92 -56.1 22.75 Favored 'General case' 0 CA--C 1.578 2.05 0 CA-C-O 114.092 -2.861 . . . . 0.0 114.504 175.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.278 40.4 t -45.56 -40.44 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.187 0 CA-C-N 123.739 2.972 . . . . 0.0 117.096 165.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.01 -48.36 80.27 Favored 'General case' 0 C--N 1.378 1.828 0 N-CA-C 118.994 2.961 . . . . 0.0 118.994 176.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -62.01 -42.3 99.01 Favored 'General case' 0 CA--C 1.62 3.664 0 CA-C-N 112.306 -2.225 . . . . 0.0 111.677 165.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.599 ' HB3' HD21 ' A' ' 28' ' ' LEU . 22.0 m-70 -54.05 -58.03 8.86 Favored 'General case' 0 CA--C 1.591 2.548 1 O-C-N 114.886 -4.884 . . . . 0.0 118.829 165.52 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.04 -40.43 67.1 Favored 'General case' 0 N--CA 1.527 3.412 0 N-CA-C 119.412 3.116 . . . . 0.0 119.412 174.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 94.6 m -70.64 -64.97 0.8 Allowed 'General case' 0 CA--C 1.58 2.106 1 C-N-CA 132.318 4.247 . . . . 0.0 111.871 167.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . 0.341 . . . . . . . 0 CA--C 1.584 2.273 0 O-C-N 118.29 -2.756 . . . . 0.0 116.024 167.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.813 0 N-CA-C 105.056 -2.201 . . . . 0.0 105.056 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -134.54 122.97 23.15 Favored 'General case' 0 N--CA 1.512 2.638 0 CA-C-N 109.897 -3.32 . . . . 0.0 103.668 -160.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.271 0.3 OUTLIER -155.46 165.95 35.03 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 126.693 2.495 . . . . 0.0 109.127 -168.574 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.72 158.96 51.85 Favored Glycine 0 N--CA 1.513 3.801 0 C-N-CA 127.442 2.449 . . . . 0.0 112.459 164.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -144.16 116.03 8.29 Favored 'General case' 0 C--O 1.179 -2.629 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 -155.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.4 t -90.31 116.77 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-O 125.012 2.339 . . . . 0.0 108.499 172.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -132.37 121.23 45.29 Favored 'Isoleucine or valine' 0 CA--C 1.612 3.355 0 C-N-CA 129.367 3.067 . . . . 0.0 106.696 -176.238 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.72 149.3 49.4 Favored 'General case' 0 CA--C 1.583 2.241 0 N-CA-C 117.292 2.33 . . . . 0.0 117.292 166.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.532 ' SG ' HD13 ' A' ' 61' ' ' LEU . 82.2 m -138.24 139.06 39.05 Favored 'General case' 0 CA--C 1.594 2.669 0 CA-C-O 125.666 2.651 . . . . 0.0 110.828 -167.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -149.36 -11.17 0.31 Allowed 'General case' 0 CA--C 1.588 2.417 0 O-C-N 118.644 -2.535 . . . . 0.0 115.49 -165.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.5 p -155.69 -174.48 4.98 Favored 'General case' 0 C--N 1.391 2.379 0 O-C-N 116.982 -3.574 . . . . 0.0 106.872 -163.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.343 14.8 p -55.77 -23.01 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.554 0 O-C-N 118.642 -2.536 . . . . 0.0 116.293 166.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -50.33 -45.96 55.25 Favored 'General case' 0 N--CA 1.519 2.982 0 N-CA-C 118.408 2.744 . . . . 0.0 118.408 167.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.7 -33.91 72.21 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 119.181 3.03 . . . . 0.0 119.181 162.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -54.3 -42.54 70.2 Favored 'General case' 0 CA--C 1.586 2.354 0 CA-C-O 115.468 -2.206 . . . . 0.0 112.812 165.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -60.26 -58.6 7.83 Favored 'General case' 0 CA--C 1.585 2.297 0 O-C-N 128.546 3.654 . . . . 0.0 114.13 164.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.32 27.2 mt-10 -43.72 -59.0 2.41 Favored 'General case' 0 N--CA 1.538 3.969 0 O-C-N 119.104 -2.248 . . . . 0.0 116.326 175.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -51.97 -66.11 0.44 Allowed 'General case' 0 CA--C 1.607 3.144 1 CA-C-O 129.005 4.241 . . . . 0.0 115.081 -177.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.25 41.1 m-85 -60.64 -58.21 9.45 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 113.807 -2.997 . . . . 0.0 117.385 177.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -53.34 -50.33 65.25 Favored 'General case' 0 N--CA 1.529 3.489 0 O-C-N 127.129 2.768 . . . . 0.0 115.793 174.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -59.73 -59.94 4.63 Favored 'General case' 0 CA--C 1.586 2.365 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 170.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.34 -83.93 0.02 OUTLIER Glycine 0 N--CA 1.512 3.737 0 C-N-CA 127.1 2.286 . . . . 0.0 114.498 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -71.81 97.95 1.89 Allowed 'General case' 0 C--O 1.268 2.066 0 CA-C-O 127.641 3.591 . . . . 0.0 111.226 154.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.95 -46.66 0.36 Allowed Glycine 0 CA--C 1.534 1.237 0 CA-C-N 109.805 -3.361 . . . . 0.0 114.482 163.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -110.85 140.52 45.23 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 129.145 3.497 . . . . 0.0 104.373 -172.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -60.57 72.87 0.01 OUTLIER 'General case' 0 N--CA 1.533 3.68 0 CA-C-O 127.887 3.708 . . . . 0.0 116.557 169.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -162.27 155.97 20.99 Favored 'General case' 0 C--N 1.418 3.558 1 O-C-N 116.122 -4.111 . . . . 0.0 115.272 -176.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.7 tp -83.75 153.79 23.94 Favored 'General case' 0 N--CA 1.526 3.329 0 C-N-CA 126.119 1.768 . . . . 0.0 108.616 155.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -151.71 135.38 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 N-CA-C 103.291 -2.855 . . . . 0.0 103.291 -174.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.8 142.41 44.06 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 C-N-CA 128.605 2.762 . . . . 0.0 109.65 -167.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.306 1.0 OUTLIER -151.33 103.85 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.622 3.723 0 O-C-N 120.06 -1.65 . . . . 0.0 106.929 -166.071 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -76.33 104.38 6.83 Favored 'General case' 0 CA--C 1.601 2.926 0 C-N-CA 131.675 3.99 . . . . 0.0 113.13 170.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -86.6 105.08 16.61 Favored 'General case' 0 C--O 1.299 3.66 0 C-N-CA 129.49 3.116 . . . . 0.0 103.216 171.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.3 t -158.04 157.66 33.34 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 119.752 -1.842 . . . . 0.0 109.492 -173.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . 0.281 . . -100.44 147.65 25.62 Favored 'General case' 0 N--CA 1.508 2.433 0 CA-C-O 126.101 2.858 . . . . 0.0 108.989 176.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 t -52.87 -40.85 63.78 Favored 'General case' 0 N--CA 1.535 3.805 0 N-CA-C 117.647 2.462 . . . . 0.0 117.647 168.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.359 47.4 p-90 -71.31 79.02 0.73 Allowed 'General case' 0 CA--C 1.571 1.78 0 O-C-N 127.486 2.991 . . . . 0.0 112.957 160.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.7 t -164.0 94.63 1.02 Allowed Pre-proline 0 CA--C 1.559 1.294 0 N-CA-C 104.117 -2.549 . . . . 0.0 104.117 176.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . 0.262 6.9 Cg_endo -53.84 -43.51 57.42 Favored 'Trans proline' 1 CA--C 1.608 4.175 1 C-N-CA 125.347 4.031 . . . . 0.0 116.393 167.322 . . . . . . . . 4 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.381 39.6 Cg_exo -47.5 -56.57 2.95 Favored 'Trans proline' 0 C--N 1.372 1.805 1 C-N-CA 126.14 4.56 . . . . 0.0 117.914 168.082 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.446 ' HA ' HG22 ' A' ' 44' ' ' ILE 0.289 71.8 m -63.84 -18.72 64.42 Favored 'General case' 0 CA--C 1.478 -1.797 0 N-CA-C 119.907 3.299 . . . . 0.0 119.907 158.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . 0.277 62.7 mttp -54.21 -58.99 5.3 Favored 'General case' 0 N--CA 1.517 2.904 0 O-C-N 116.375 -3.953 . . . . 0.0 114.135 160.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . 0.384 15.3 ptt? -50.98 -38.01 48.32 Favored 'General case' 1 CA--C 1.656 5.05 0 O-C-N 117.281 -3.387 . . . . 0.0 120.082 162.666 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.446 HG22 ' HA ' ' A' ' 41' ' ' CYS 0.521 1.0 OUTLIER -64.08 -24.75 36.48 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.493 0 N-CA-C 119.264 3.061 . . . . 0.0 119.264 168.859 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . 0.298 . . -56.24 -63.49 3.32 Favored Pre-proline 0 N--CA 1.501 2.091 0 CA-C-N 123.626 2.921 . . . . 0.0 114.699 164.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . 0.316 28.1 Cg_endo -48.82 -39.34 39.12 Favored 'Trans proline' 0 C--O 1.259 1.542 0 N-CA-C 120.73 3.319 . . . . 0.0 120.73 159.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.42 46.8 mm -60.48 -52.51 60.55 Favored 'Isoleucine or valine' 0 CA--C 1.601 2.907 0 CA-C-N 123.793 2.997 . . . . 0.0 112.771 173.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -47.62 -55.5 9.21 Favored 'General case' 0 CA--C 1.571 1.782 0 CA-C-O 113.866 -2.969 . . . . 0.0 114.175 169.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.09 -44.3 87.54 Favored 'General case' 0 CA--C 1.61 3.263 1 N-CA-C 123.959 4.8 . . . . 0.0 123.959 165.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.341 3.1 tm-20 -45.12 -64.79 0.64 Allowed 'General case' 0 CA--C 1.588 2.436 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 166.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 55' ' ' PHE 0.346 0.7 OUTLIER -61.15 -37.72 83.89 Favored 'General case' 0 CA--C 1.604 3.036 0 O-C-N 127.916 3.26 . . . . 0.0 114.574 174.078 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.42 -45.84 73.08 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 118.374 -2.704 . . . . 0.0 117.409 162.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -59.74 -30.35 68.78 Favored 'General case' 0 N--CA 1.528 3.426 0 N-CA-C 120.234 3.42 . . . . 0.0 120.234 163.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -66.25 -40.84 90.47 Favored 'General case' 0 CA--C 1.583 2.239 0 CA-C-O 123.545 1.64 . . . . 0.0 113.795 170.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.438 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 2.0 m-85 -126.95 99.47 28.88 Favored Pre-proline 0 CA--C 1.6 2.889 0 C-N-CA 130.413 3.485 . . . . 0.0 103.43 -155.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . 0.356 35.6 Cg_endo -73.42 -24.4 16.44 Favored 'Trans proline' 1 CA--C 1.611 4.367 2 C-N-CA 132.274 8.65 . . . . 0.0 122.994 176.438 . . . . . . . . 4 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -79.53 18.17 0.77 Allowed 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 129.723 3.209 . . . . 0.0 117.262 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.409 HG13 ' CE2' ' A' ' 60' ' ' PHE 0.258 7.7 p -155.41 118.74 0.44 Allowed 'Isoleucine or valine' 1 CA--C 1.655 4.986 0 C-N-CA 116.723 -1.991 . . . . 0.0 109.353 -158.432 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.1 m -84.76 154.96 22.07 Favored 'General case' 0 CA--C 1.574 1.88 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 169.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.409 ' CE2' HG13 ' A' ' 58' ' ' VAL . 97.2 m-85 -145.92 129.2 16.74 Favored 'General case' 0 CA--C 1.585 2.325 0 CA-C-N 109.545 -3.479 . . . . 0.0 109.977 -171.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.532 HD13 ' SG ' ' A' ' 9' ' ' CYS 0.418 2.1 pp -144.14 158.61 43.62 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 127.299 3.428 . . . . 0.0 103.602 -170.4 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -150.76 114.53 4.97 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 110.89 -2.868 . . . . 0.0 111.773 -174.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 73.9 t -84.72 128.68 38.72 Favored 'Isoleucine or valine' 0 C--N 1.36 1.056 0 C-N-CA 127.976 2.51 . . . . 0.0 112.134 173.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -69.38 100.27 1.34 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.573 1.949 . . . . 0.0 108.365 156.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.389 8.9 p -48.09 -41.19 9.76 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.93 0 N-CA-C 118.88 2.918 . . . . 0.0 118.88 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -50.25 -33.19 18.84 Favored 'General case' 0 N--CA 1.517 2.901 0 N-CA-C 118.57 2.804 . . . . 0.0 118.57 171.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -62.89 -54.6 36.2 Favored 'General case' 0 N--CA 1.517 2.886 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 163.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.7 mt -130.07 48.75 2.35 Favored 'General case' 0 CA--C 1.579 2.067 0 C-N-CA 128.749 2.82 . . . . 0.0 109.063 -158.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -65.02 -48.27 74.52 Favored 'General case' 0 CA--C 1.616 3.495 0 CA-C-O 114.398 -2.715 . . . . 0.0 116.941 165.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . 0.252 . . -50.71 -55.06 18.35 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 128.644 2.778 . . . . 0.0 113.65 173.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . 0.338 5.4 p -61.85 -50.19 81.16 Favored 'Isoleucine or valine' 0 CA--C 1.612 3.34 0 N-CA-C 118.325 2.713 . . . . 0.0 118.325 167.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 77' ' ' VAL . . . -44.76 -51.11 9.69 Favored 'General case' 0 C--O 1.27 2.152 0 N-CA-C 115.467 1.655 . . . . 0.0 115.467 168.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -52.16 -47.12 65.65 Favored 'General case' 0 C--N 1.382 2.019 0 CA-C-O 116.01 -1.947 . . . . 0.0 115.174 172.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.591 3.8 pt-20 -54.39 -62.98 1.3 Allowed 'General case' 0 C--N 1.396 2.6 1 CA-C-O 111.607 -4.045 . . . . 0.0 116.59 176.131 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -43.28 -47.89 6.65 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-N 124.105 3.139 . . . . 0.0 119.372 166.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.3 t30 151.53 82.63 0.0 OUTLIER 'General case' 1 N--CA 1.544 4.239 0 N-CA-C 100.562 -3.866 . . . . 0.0 100.562 149.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 72' ' ' ALA . 19.3 t -151.26 74.57 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.613 3.396 0 C-N-CA 126.787 2.035 . . . . 0.0 109.683 -169.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -72.69 -7.7 51.75 Favored 'General case' 0 CA--C 1.58 2.106 0 O-C-N 128.76 3.787 . . . . 0.0 118.59 149.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.64 118.53 11.17 Favored 'General case' 0 C--N 1.4 2.792 0 C-N-CA 128.71 2.804 . . . . 0.0 118.001 -163.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -67.95 116.93 43.55 Favored Pre-proline 0 CA--C 1.592 2.558 0 CA-C-N 112.97 -1.923 . . . . 0.0 113.918 166.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . 0.419 29.1 Cg_endo -153.97 128.88 0.0 OUTLIER 'Cis proline' 2 N--CA 1.575 6.291 0 N-CA-C 120.692 3.305 . . . . 0.0 120.692 0.681 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.2 m -95.96 136.05 36.91 Favored 'General case' 1 C--N 1.455 5.161 3 O-C-N 135.799 8.187 . . . . 0.0 99.788 -154.604 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -106.09 129.99 54.08 Favored 'General case' 0 CA--C 1.474 -1.962 1 CA-C-N 103.499 -6.228 . . . . 0.0 103.448 171.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.54 145.25 34.39 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.352 0 C-N-CA 129.213 3.005 . . . . 0.0 108.597 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -141.18 121.27 13.75 Favored 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 124.706 1.202 . . . . 0.0 110.674 -157.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.86 127.64 29.2 Favored 'General case' 1 CA--C 1.653 4.906 1 O-C-N 130.446 4.841 . . . . 0.0 103.797 -170.943 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.252 29.9 tptt -95.58 170.78 9.1 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 131.096 3.759 . . . . 0.0 113.722 167.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -59.25 29.17 0.01 OUTLIER 'General case' 0 N--CA 1.521 3.106 0 N-CA-C 117.137 2.273 . . . . 0.0 117.137 157.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.05 40.78 0.21 Allowed Glycine 2 CA--C 1.634 7.502 0 CA-C-O 124.983 2.435 . . . . 0.0 118.43 -178.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.302 19.1 mttt 85.37 178.19 0.04 OUTLIER 'General case' 0 N--CA 1.513 2.686 0 CA-C-O 112.44 -3.648 . . . . 0.0 115.547 171.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.1 tp -47.16 108.91 0.16 Allowed 'General case' 1 CA--C 1.637 4.308 0 O-C-N 126.1 2.125 . . . . 0.0 113.838 172.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.266 5.5 m -81.6 -45.36 20.44 Favored 'Isoleucine or valine' 0 C--O 1.262 1.736 0 CA-C-N 112.368 -2.196 . . . . 0.0 114.059 169.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -169.55 170.1 8.38 Favored 'General case' 0 N--CA 1.524 3.265 0 CA-C-N 122.061 2.209 . . . . 0.0 113.168 -174.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -153.09 134.37 14.23 Favored 'General case' 0 C--O 1.288 3.129 0 C-N-CA 128.323 2.649 . . . . 0.0 105.969 -178.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 76.7 m -161.48 143.91 12.02 Favored 'General case' 0 N--CA 1.521 3.095 0 CA-C-O 127.402 3.477 . . . . 0.0 107.961 -175.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . 0.307 2.4 p -130.38 108.05 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.81 0 CA-C-N 110.699 -2.955 . . . . 0.0 103.064 -157.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -171.68 -160.39 20.12 Favored Glycine 0 C--N 1.389 3.502 0 CA-C-O 117.137 -1.924 . . . . 0.0 111.267 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -172.47 107.2 0.19 Allowed 'General case' 0 CA--C 1.598 2.818 0 C-N-CA 127.5 2.32 . . . . 0.0 105.092 179.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -170.12 127.46 0.85 Allowed 'General case' 0 N--CA 1.515 2.814 0 CA-C-N 112.499 -2.137 . . . . 0.0 110.568 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -47.79 -49.91 27.36 Favored 'General case' 0 CA--C 1.602 2.963 0 N-CA-C 120.242 3.423 . . . . 0.0 120.242 174.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -71.32 -42.24 68.84 Favored 'General case' 0 CA--C 1.594 2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 113.856 164.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -43.95 -55.8 5.45 Favored Glycine 1 N--CA 1.534 5.231 0 N-CA-C 121.113 3.205 . . . . 0.0 121.113 177.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.66 -53.62 21.18 Favored Pre-proline 0 CA--C 1.591 2.533 0 CA-C-O 116.708 -1.615 . . . . 0.0 112.463 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -43.86 -49.81 7.87 Favored 'Trans proline' 0 N--CA 1.441 -1.58 0 N-CA-C 120.416 3.198 . . . . 0.0 120.416 160.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.4 m -52.1 -60.9 2.65 Favored 'General case' 0 CA--C 1.596 2.719 0 O-C-N 117.856 -3.027 . . . . 0.0 113.639 171.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.359 50.0 tp -51.56 -56.35 14.01 Favored 'General case' 0 CA--C 1.573 1.845 0 C-N-CA 127.276 2.23 . . . . 0.0 114.792 177.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . 0.286 11.7 t -53.58 -56.2 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.836 0 CA-C-O 114.609 -2.615 . . . . 0.0 116.303 163.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.28 -52.57 7.42 Favored 'General case' 0 CA--C 1.609 3.218 0 CA-C-O 124.349 2.024 . . . . 0.0 112.349 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -53.16 -39.78 63.82 Favored 'General case' 0 C--N 1.381 1.955 0 N-CA-C 118.449 2.759 . . . . 0.0 118.449 172.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -71.16 -60.24 2.34 Favored 'General case' 0 CA--C 1.582 2.184 0 CA-C-O 125.646 2.641 . . . . 0.0 117.847 168.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.29 -48.39 68.4 Favored 'General case' 0 C--O 1.203 -1.378 0 CA-C-O 112.008 -3.853 . . . . 0.0 117.974 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 23.5 m -56.95 -57.31 13.09 Favored 'General case' 0 CA--C 1.606 3.107 0 N-CA-C 120.746 3.61 . . . . 0.0 120.746 163.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--O 1.368 7.315 0 O-C-N 117.38 -3.325 . . . . 0.0 109.666 178.093 . . . . . . . . 1 1 . 1 stop_ save_