data_2jvo_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 2jvo _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 ' 30' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 CA--C 1.547 0.865 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 51.6 -11.35 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 131.387 3.875 . . . . 0.0 118.834 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 p -146.77 22.88 1.25 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 -165.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.417 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 19.6 mtt180 -129.76 129.54 44.25 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -166.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.39 111.05 23.63 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.52 -170.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -100.12 93.74 5.88 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 125.162 2.411 . . . . 0.0 106.634 -169.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.273 39.4 t -122.97 92.71 2.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 111.482 -2.599 . . . . 0.0 108.259 -160.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.9 ptt-85 -127.64 19.19 0.08 OUTLIER Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 117.581 2.437 . . . . 0.0 117.581 -168.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -72.14 -34.76 7.74 Favored 'Trans proline' 0 C--N 1.354 0.833 0 CA-C-N 122.555 1.948 . . . . 0.0 113.455 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -76.56 159.01 80.38 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 127.019 2.127 . . . . 0.0 113.021 -169.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -80.25 -159.96 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 122.385 2.057 . . . . 0.0 110.0 164.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -54.27 -13.09 0.77 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.727 1.611 . . . . 0.0 114.79 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.14 -31.54 71.26 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.913 2.085 . . . . 0.0 114.95 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.0 p -69.28 137.29 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 119.95 1.25 . . . . 0.0 111.942 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -142.17 177.23 8.38 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.076 1.35 . . . . 0.0 109.413 171.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -55.96 -22.9 29.0 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -71.19 -33.01 69.56 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.315 1.416 . . . . 0.0 113.707 173.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -83.2 -37.04 24.16 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 125.648 1.579 . . . . 0.0 108.113 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.0 mt -66.11 -37.83 86.72 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.965 168.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -59.54 -39.29 83.46 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 119.68 -1.887 . . . . 0.0 112.477 172.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -60.96 -42.24 97.88 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 171.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.5 mt -84.07 -39.29 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -100.94 -27.02 13.53 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.771 2.028 . . . . 0.0 112.808 -168.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -46.67 -36.78 8.42 Favored Glycine 0 CA--C 1.544 1.868 0 CA-C-O 117.921 -1.488 . . . . 0.0 115.622 170.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.8 -24.4 78.9 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 123.341 2.694 . . . . 0.0 115.125 173.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -73.94 -39.37 63.83 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.238 1.015 . . . . 0.0 111.098 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.97 -84.39 0.37 Allowed Glycine 0 CA--C 1.533 1.209 0 C-N-CA 125.756 1.646 . . . . 0.0 111.16 -174.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -62.77 164.88 17.45 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.168 2.579 . . . . 0.0 114.317 173.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.6 ptm 175.4 66.05 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 130.296 3.438 . . . . 0.0 107.968 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.41 -31.98 71.7 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 128.509 2.723 . . . . 0.0 113.514 -168.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -139.46 153.03 47.47 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 123.546 0.739 . . . . 0.0 110.339 168.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.1 t -152.13 64.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 124.251 1.02 . . . . 0.0 108.552 -166.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -70.79 117.79 12.75 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -175.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.1 mm -110.62 125.44 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.985 1.314 . . . . 0.0 110.702 -176.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mp -133.29 178.77 6.65 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.737 2.415 . . . . 0.0 109.903 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -57.63 47.19 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 130.587 3.555 . . . . 0.0 118.026 -169.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.88 6.43 14.23 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 126.157 1.837 . . . . 0.0 112.806 -169.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -132.27 143.17 49.72 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 117.994 0.897 . . . . 0.0 110.901 -173.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.74 135.92 51.74 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 126.832 2.053 . . . . 0.0 107.21 173.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -127.63 84.74 2.28 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 175.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 t -77.94 162.27 4.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 112.938 -1.937 . . . . 0.0 107.62 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -156.61 152.73 27.55 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 121.36 -0.838 . . . . 0.0 109.896 -169.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -130.75 161.57 31.42 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.329 1.051 . . . . 0.0 111.178 171.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -88.72 1.03 55.86 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.98 169.84 19.02 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.445 1.898 . . . . 0.0 111.775 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.8 -1.11 50.31 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 -169.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -83.66 -40.04 19.46 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.093 -1.004 . . . . 0.0 112.56 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -62.63 -35.0 78.19 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 117.936 0.335 . . . . 0.0 110.533 169.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.83 -51.04 62.3 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.517 -0.739 . . . . 0.0 112.058 173.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.71 -47.64 70.32 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 123.81 0.844 . . . . 0.0 112.46 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.7 -39.05 70.45 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 117.87 -1.062 . . . . 0.0 113.321 175.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.94 -46.2 74.94 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 119.569 1.077 . . . . 0.0 109.302 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.3 mt -54.13 -59.81 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.373 0 C-N-CA 124.553 1.141 . . . . 0.0 110.41 173.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -63.95 -23.0 67.17 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -80.33 -38.42 30.61 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.806 1.643 . . . . 0.0 112.881 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.1 p -152.46 -2.48 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 -166.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -63.16 116.84 5.77 Favored 'General case' 0 N--CA 1.483 1.197 0 O-C-N 118.928 -2.357 . . . . 0.0 112.769 169.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.58 -1.29 83.77 Favored Glycine 0 N--CA 1.472 1.087 0 C-N-CA 124.36 0.981 . . . . 0.0 112.658 169.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -74.73 142.72 44.35 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 126.703 2.001 . . . . 0.0 107.491 168.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.9 p -86.81 96.61 10.26 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.136 0.974 . . . . 0.0 112.026 -174.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -90.87 140.84 29.43 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.46 -0.775 . . . . 0.0 111.594 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.61 -59.26 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 128.536 2.734 . . . . 0.0 116.166 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -155.25 -8.68 0.12 Allowed 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 126.926 2.09 . . . . 0.0 113.287 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -162.38 164.6 16.79 Favored Pre-proline 0 CA--C 1.549 0.94 0 CA-C-N 120.123 1.329 . . . . 0.0 112.988 -176.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.93 157.8 30.96 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 N-CA-C 116.345 1.633 . . . . 0.0 116.345 -177.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -80.35 162.3 24.59 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.616 2.366 . . . . 0.0 114.133 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -130.63 51.34 2.13 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 124.882 2.277 . . . . 0.0 110.008 171.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 66.7 t -64.21 103.52 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 127.798 2.439 . . . . 0.0 107.337 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.454 HG13 ' H ' ' A' ' 99' ' ' TYR . 1.0 OUTLIER -159.95 -135.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.522 0 CA-C-N 121.415 1.916 . . . . 0.0 114.315 -163.221 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.454 ' H ' HG13 ' A' ' 98' ' ' VAL . 12.4 m-30 -106.0 68.34 0.77 Allowed 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 127.096 2.159 . . . . 0.0 106.092 165.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 41.5 t . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -170.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.548 0.879 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.45 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 24.7 m-20 45.55 -5.12 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.006 1 C-N-CA 132.017 4.127 . . . . 0.0 120.499 175.476 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.8 p -145.24 22.64 1.52 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.652 2.094 . . . . 0.0 116.652 -166.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -131.65 130.2 41.79 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.352 1.982 . . . . 0.0 116.352 -166.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.405 ' HA ' ' H ' ' A' ' 98' ' ' VAL . 0.1 OUTLIER -105.83 111.06 23.57 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 120.982 -1.074 . . . . 0.0 110.946 -170.725 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -103.33 103.6 13.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 125.167 2.413 . . . . 0.0 106.942 -170.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.307 41.6 t -126.78 91.33 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 111.994 -2.366 . . . . 0.0 106.991 -159.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -126.02 19.67 0.08 OUTLIER Pre-proline 0 CA--C 1.553 1.094 0 N-CA-C 119.118 3.007 . . . . 0.0 119.118 -167.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD2' ' CE1' ' A' ' 39' ' ' PHE . 81.3 Cg_endo -77.87 -28.49 5.05 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.361 2.041 . . . . 0.0 114.982 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.409 ' CE1' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -79.2 161.69 66.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 C-N-CA 125.208 1.403 . . . . 0.0 113.724 -167.711 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -73.21 -167.67 0.37 Allowed 'Trans proline' 0 N--CA 1.449 -1.141 0 C-N-CA 122.064 1.843 . . . . 0.0 113.514 164.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 mp -69.15 41.98 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 126.781 2.032 . . . . 0.0 113.047 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.2 p30 -129.97 1.46 4.79 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.323 2.249 . . . . 0.0 115.404 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -94.34 139.49 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.607 1.163 . . . . 0.0 109.853 169.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -146.55 175.93 10.21 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.42 1.488 . . . . 0.0 109.421 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -27.62 19.21 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 176.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.3 m -72.26 -32.22 66.48 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.512 1.125 . . . . 0.0 113.367 176.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -82.51 -37.02 25.86 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.893 1.277 . . . . 0.0 108.476 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.35 -37.34 87.17 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.317 167.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -61.82 -38.66 88.96 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 120.043 -1.661 . . . . 0.0 112.758 172.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -61.86 -39.38 91.69 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 170.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.3 mt -87.26 -36.01 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.518 1.127 . . . . 0.0 113.302 -174.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.445 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 29.4 m-85 -105.56 -21.37 13.22 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 127.561 2.344 . . . . 0.0 113.373 -171.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.26 -33.76 24.06 Favored Glycine 0 CA--C 1.544 1.891 0 CA-C-O 117.507 -1.719 . . . . 0.0 115.03 169.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -62.42 -26.66 76.75 Favored 'Trans proline' 0 C--N 1.358 1.063 0 CA-C-N 121.43 2.615 . . . . 0.0 114.091 171.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.445 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 3.0 m-30 -78.46 -50.14 12.18 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.734 1.214 . . . . 0.0 109.854 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.72 -66.47 0.41 Allowed Glycine 0 CA--C 1.536 1.357 0 N-CA-C 116.804 1.482 . . . . 0.0 116.804 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -86.45 21.07 1.12 Allowed 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.461 2.774 . . . . 0.0 116.197 -167.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.3 ptm -36.62 91.25 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 127.48 2.312 . . . . 0.0 112.323 170.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.78 -32.9 16.74 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 128.004 2.522 . . . . 0.0 113.213 -166.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.71 156.53 45.04 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.993 0.902 . . . . 0.0 111.998 172.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.6 t -153.45 116.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 113.505 -1.68 . . . . 0.0 108.697 -166.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.12 111.81 16.97 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 -174.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.6 mm -109.38 123.95 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.981 1.312 . . . . 0.0 109.746 -172.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.23 175.73 9.32 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.434 1.894 . . . . 0.0 109.956 -179.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -39.35 100.74 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.718 1.607 . . . . 0.0 113.36 167.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.64 -4.53 7.03 Favored Glycine 0 CA--C 1.535 1.33 0 N-CA-C 115.601 1.0 . . . . 0.0 115.601 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -123.42 151.0 43.1 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 122.821 1.296 . . . . 0.0 113.251 -168.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.18 135.29 42.96 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 128.096 2.558 . . . . 0.0 107.293 171.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -128.83 91.19 3.17 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 173.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.4 165.52 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.139 -1.391 . . . . 0.0 108.198 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -158.51 153.98 25.97 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 121.37 -0.831 . . . . 0.0 110.421 -167.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -130.86 166.84 20.01 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.649 1.58 . . . . 0.0 110.485 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -93.64 -5.25 49.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.75 -178.93 6.03 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.658 1.583 . . . . 0.0 111.298 170.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.81 -1.01 21.25 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -169.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -76.41 -37.35 57.23 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 120.38 -1.45 . . . . 0.0 111.105 173.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.8 p -59.33 -46.2 89.26 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.275 1.83 . . . . 0.0 111.976 169.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.64 -47.91 83.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 118.492 -0.766 . . . . 0.0 111.483 171.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.78 -47.82 67.27 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.384 0.993 . . . . 0.0 112.63 175.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -69.31 -40.77 77.46 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 118.597 -0.716 . . . . 0.0 112.667 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.29 -46.53 83.05 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.776 0.716 . . . . 0.0 109.661 178.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.7 mt -53.11 -58.43 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 124.637 1.175 . . . . 0.0 110.625 173.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -64.27 -22.8 67.07 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -83.21 -36.58 24.51 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.721 1.608 . . . . 0.0 113.19 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.0 p -151.73 -4.28 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 -167.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -64.27 119.05 9.54 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 119.016 -2.303 . . . . 0.0 112.868 169.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.03 -3.44 84.55 Favored Glycine 0 N--CA 1.474 1.233 0 C-N-CA 124.28 0.943 . . . . 0.0 112.259 169.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -72.78 142.63 48.09 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.915 2.086 . . . . 0.0 107.723 169.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.3 p -91.04 100.16 13.06 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.283 1.033 . . . . 0.0 111.954 -173.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -94.28 142.08 27.82 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.571 -0.705 . . . . 0.0 111.224 173.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 56.93 -62.38 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 128.117 2.567 . . . . 0.0 115.851 -176.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.403 HD22 ' NE2' ' A' ' 93' ' ' GLN . 2.8 p-10 -153.72 -4.28 0.19 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.617 1.967 . . . . 0.0 114.001 177.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.403 ' NE2' HD22 ' A' ' 92' ' ' ASN . 19.7 pt20 -159.12 160.91 28.7 Favored Pre-proline 0 CA--C 1.548 0.874 0 CA-C-N 119.74 1.155 . . . . 0.0 112.579 -172.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -80.53 158.44 22.22 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 N-CA-C 116.161 1.562 . . . . 0.0 116.161 -172.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -81.74 155.5 25.46 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.882 2.073 . . . . 0.0 113.096 174.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -124.86 48.1 2.04 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 125.011 2.339 . . . . 0.0 109.316 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.3 t -66.13 102.44 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 128.01 2.524 . . . . 0.0 107.129 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.504 HG13 ' H ' ' A' ' 99' ' ' TYR 0.266 1.6 p -157.82 -127.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 120.619 1.554 . . . . 0.0 114.025 -163.025 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.504 ' H ' HG13 ' A' ' 98' ' ' VAL . 14.5 m-30 -109.08 23.9 13.88 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.348 2.259 . . . . 0.0 110.404 168.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . 0.276 32.6 t . . . . . 0 N--CA 1.469 0.496 0 C-N-CA 129.115 2.966 . . . . 0.0 117.397 -168.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.449 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.7 OUTLIER 63.3 2.57 1.16 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 128.608 2.763 . . . . 0.0 116.176 167.444 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.7 p -150.8 22.72 0.78 Allowed 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -164.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 36.1 mtt180 -135.84 136.46 40.64 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 121.742 2.065 . . . . 0.0 116.087 -164.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.55 118.88 34.38 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 120.514 -1.366 . . . . 0.0 112.512 -167.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -105.44 98.68 8.34 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 125.054 2.359 . . . . 0.0 106.182 -168.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.31 25.2 t -126.42 95.69 3.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 111.961 -2.381 . . . . 0.0 107.076 -159.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.66 5.69 0.04 OUTLIER Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 120.94 3.681 . . . . 0.0 120.94 -164.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -57.84 -41.32 70.7 Favored 'Trans proline' 0 C--N 1.353 0.789 0 CA-C-N 123.607 2.324 . . . . 0.0 115.848 175.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.34 164.01 57.43 Favored Pre-proline 0 CA--C 1.534 0.365 0 C-N-CA 126.076 1.751 . . . . 0.0 114.446 -167.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -84.2 -170.64 0.87 Allowed 'Trans proline' 0 CA--C 1.546 1.106 0 C-N-CA 122.732 2.288 . . . . 0.0 110.774 164.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 mp -53.64 -18.32 2.88 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.423 1.489 . . . . 0.0 114.094 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.06 -21.51 66.22 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.605 1.962 . . . . 0.0 114.942 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -66.65 135.76 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 120.567 1.53 . . . . 0.0 111.133 170.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -139.19 178.8 6.92 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.028 1.331 . . . . 0.0 109.45 176.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 pm0 -57.7 -22.53 46.84 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.794 -1.191 . . . . 0.0 113.865 174.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -32.08 71.69 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 120.135 1.334 . . . . 0.0 113.858 171.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -85.43 -38.5 18.6 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 125.721 1.608 . . . . 0.0 107.824 -176.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.6 mt -62.8 -39.03 92.98 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.894 166.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -59.54 -38.31 80.71 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 119.599 -1.938 . . . . 0.0 112.119 174.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -59.7 -42.75 93.71 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 172.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.6 mt -83.56 -44.94 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 C-N-CA 124.597 1.159 . . . . 0.0 113.877 -177.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.478 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 47.7 m-85 -94.34 -26.91 16.36 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 127.873 2.469 . . . . 0.0 113.316 -169.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -45.82 -36.74 6.77 Favored Glycine 0 CA--C 1.543 1.784 0 CA-C-O 117.596 -1.669 . . . . 0.0 115.762 173.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.04 -23.49 77.53 Favored 'Trans proline' 0 CA--C 1.545 1.055 0 CA-C-N 121.384 2.592 . . . . 0.0 114.766 174.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.4 m-30 -78.01 -37.73 46.45 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.904 0.882 . . . . 0.0 111.39 -176.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.49 -80.51 0.27 Allowed Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.332 1.444 . . . . 0.0 111.573 -173.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.93 157.44 28.89 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.293 2.662 . . . . 0.0 113.652 171.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.7 ptm 173.98 60.95 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 130.742 3.617 . . . . 0.0 107.786 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -29.2 68.51 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 128.385 2.674 . . . . 0.0 114.353 -168.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.57 160.06 42.21 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.998 0.904 . . . . 0.0 111.811 170.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.9 t -153.34 115.2 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 126.709 2.003 . . . . 0.0 107.239 -166.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.21 109.37 14.4 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 -176.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.9 mt -122.64 124.5 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-O 122.408 1.099 . . . . 0.0 110.832 -168.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.7 mp -128.5 -176.9 3.96 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 129.292 3.037 . . . . 0.0 108.995 -170.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -51.63 39.21 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.328 1 C-N-CA 132.298 4.239 . . . . 0.0 118.862 -174.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.6 9.1 7.9 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 127.039 2.257 . . . . 0.0 113.257 -169.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -133.77 146.96 51.21 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.126 0.963 . . . . 0.0 111.756 -170.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -132.13 133.51 44.36 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 127.745 2.418 . . . . 0.0 108.427 173.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -123.74 93.59 3.98 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 171.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -86.39 162.58 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.117 -1.401 . . . . 0.0 108.033 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -151.68 150.53 30.34 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.33 -0.856 . . . . 0.0 110.443 -168.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -127.09 160.84 29.96 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -98.22 9.94 41.78 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.796 1.638 . . . . 0.0 111.137 167.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -142.42 108.24 5.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.154 2.182 . . . . 0.0 109.225 -169.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.77 -26.94 67.61 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.558 -0.714 . . . . 0.0 112.708 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -70.71 -21.79 62.52 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.21 -0.931 . . . . 0.0 112.726 172.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.9 t -72.24 -40.54 67.64 Favored 'General case' 0 CA--C 1.511 -0.531 0 O-C-N 120.749 -1.219 . . . . 0.0 110.409 169.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.05 87.89 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.998 0.817 . . . . 0.0 111.339 170.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.57 -53.48 37.63 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 119.412 1.005 . . . . 0.0 113.042 174.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -38.4 75.88 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 118.392 -0.813 . . . . 0.0 112.932 178.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.53 -44.93 81.3 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.076 0.853 . . . . 0.0 109.317 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.7 mt -55.07 -58.5 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.191 0.996 . . . . 0.0 109.921 173.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -63.81 -23.46 67.37 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.78 -36.78 23.33 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.196 1.799 . . . . 0.0 113.105 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.1 p -150.06 -11.58 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 -167.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -63.84 116.77 6.1 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 119.207 -2.183 . . . . 0.0 111.114 168.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.05 3.17 55.87 Favored Glycine 0 N--CA 1.471 0.974 0 C-N-CA 123.827 0.727 . . . . 0.0 112.266 172.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -97.96 132.81 43.21 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 126.585 1.954 . . . . 0.0 108.505 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.2 p -78.87 98.75 6.47 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 124.619 1.168 . . . . 0.0 113.291 -169.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -97.99 143.7 28.29 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.504 -0.747 . . . . 0.0 110.665 169.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.01 -60.51 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 128.658 2.783 . . . . 0.0 117.087 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -150.83 -9.98 0.24 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.715 2.006 . . . . 0.0 113.988 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -158.19 163.38 24.66 Favored Pre-proline 0 N--CA 1.474 0.728 0 C-N-CA 124.522 1.129 . . . . 0.0 111.606 -171.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.8 150.37 30.57 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 CA-C-O 123.025 1.177 . . . . 0.0 114.42 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -69.82 153.88 42.72 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 113.695 -1.593 . . . . 0.0 112.331 170.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -125.71 50.35 1.84 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 125.552 2.596 . . . . 0.0 109.666 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.19 110.54 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 128.561 2.744 . . . . 0.0 107.621 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.51 HG13 ' H ' ' A' ' 99' ' ' TYR 0.266 0.9 OUTLIER -158.94 -131.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 121.287 1.858 . . . . 0.0 115.389 -163.652 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.51 ' H ' HG13 ' A' ' 98' ' ' VAL . 17.5 m-30 -107.59 51.37 0.74 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.28 2.232 . . . . 0.0 107.766 167.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.437 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 13.5 m . . . . . 0 N--CA 1.478 0.926 0 C-N-CA 125.727 1.611 . . . . 0.0 114.419 -169.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 CA--C 1.54 0.582 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.417 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 25.5 m-80 53.67 -6.44 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 129.107 2.963 . . . . 0.0 118.533 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.5 p -144.44 18.78 1.7 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 -166.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 28.9 mtt180 -126.0 126.68 44.69 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 116.782 2.141 . . . . 0.0 116.782 -165.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.409 ' HA ' ' H ' ' A' ' 98' ' ' VAL . 0.2 OUTLIER -105.02 107.62 18.7 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 121.065 -1.022 . . . . 0.0 110.818 -169.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.25 0.9 OUTLIER -97.18 93.78 6.74 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-O 126.03 2.824 . . . . 0.0 107.17 -170.614 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.326 21.5 t -120.49 102.77 12.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 110.658 -2.974 . . . . 0.0 106.853 -160.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 ptt-85 -134.49 -9.36 0.03 OUTLIER Pre-proline 0 CA--C 1.55 0.951 0 N-CA-C 120.131 3.382 . . . . 0.0 120.131 -165.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -49.42 -33.99 31.39 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 124.033 3.155 . . . . 0.0 117.946 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.07 160.4 80.52 Favored Pre-proline 0 C--O 1.237 0.435 0 C-N-CA 125.771 1.628 . . . . 0.0 113.615 -170.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.97 -173.17 1.77 Allowed 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.013 1.808 . . . . 0.0 110.894 165.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.2 mp -56.44 -13.54 2.36 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.186 1.394 . . . . 0.0 114.595 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -68.12 -10.14 51.77 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.722 2.009 . . . . 0.0 115.442 177.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.78 148.7 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-N 120.331 1.423 . . . . 0.0 112.225 172.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -165.56 -169.1 1.48 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.287 1.435 . . . . 0.0 110.643 168.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.82 -20.98 17.24 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -175.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 t -71.82 -34.25 69.16 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.394 1.452 . . . . 0.0 113.104 172.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -85.92 -38.53 17.92 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 125.837 1.655 . . . . 0.0 107.888 -174.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.6 mt -63.44 -37.34 86.92 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.179 165.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.59 -44.42 85.36 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 119.862 -1.774 . . . . 0.0 112.623 171.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -60.84 -41.45 95.82 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.8 mt -83.3 -37.64 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.177 0.991 . . . . 0.0 112.912 -174.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.443 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 34.0 m-85 -101.97 -18.92 15.44 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.152 1.781 . . . . 0.0 113.438 -169.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -47.02 -34.49 7.57 Favored Glycine 0 CA--C 1.542 1.737 0 CA-C-O 117.685 -1.619 . . . . 0.0 115.555 169.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -63.58 -24.7 69.8 Favored 'Trans proline' 0 C--N 1.357 0.979 0 CA-C-N 121.546 2.673 . . . . 0.0 114.491 173.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.443 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.7 m-30 -87.93 -47.72 8.34 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.674 0.79 . . . . 0.0 111.081 -172.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.62 -74.94 0.37 Allowed Glycine 0 CA--C 1.538 1.498 0 N-CA-C 116.359 1.303 . . . . 0.0 116.359 169.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -81.74 33.66 0.53 Allowed 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 124.271 3.314 . . . . 0.0 116.503 -166.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.0 ptp -44.57 106.52 0.07 Allowed 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 120.11 1.323 . . . . 0.0 110.657 168.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -103.72 -44.09 5.17 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 125.346 1.458 . . . . 0.0 113.354 -167.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.03 157.15 43.8 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.202 170.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 t -154.2 65.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.184 -164.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -72.59 109.95 6.61 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.701 0.8 . . . . 0.0 109.435 -175.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.1 mm -106.75 124.09 62.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.217 1.007 . . . . 0.0 109.647 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.82 95.5 3.47 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 124.507 1.123 . . . . 0.0 110.315 -177.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 53.48 -104.27 0.2 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.465 0.706 . . . . 0.0 110.616 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.14 -7.12 83.8 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 126.451 1.977 . . . . 0.0 116.183 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -109.68 155.14 21.89 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.278 1.539 . . . . 0.0 112.594 -169.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.39 130.72 28.83 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 126.56 1.944 . . . . 0.0 108.947 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -121.55 85.44 2.41 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 167.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.74 160.94 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 113.833 -1.53 . . . . 0.0 108.096 172.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -150.79 151.13 31.87 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 124.102 0.961 . . . . 0.0 108.821 -172.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -129.27 163.26 26.03 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.522 1.129 . . . . 0.0 112.439 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -91.72 -3.23 56.49 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 121.763 0.792 . . . . 0.0 110.58 165.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -121.38 101.86 7.9 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 128.101 2.56 . . . . 0.0 109.097 -169.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.4 -20.81 63.48 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 121.461 -0.774 . . . . 0.0 112.647 173.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -70.29 -24.72 63.08 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.998 -1.064 . . . . 0.0 112.337 169.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.464 ' HA ' ' CE ' ' A' ' 80' ' ' LYS . 9.1 t -77.61 -31.58 53.02 Favored 'General case' 0 CA--C 1.502 -0.871 0 O-C-N 120.876 -1.14 . . . . 0.0 111.702 169.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.38 -49.95 73.48 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 119.02 0.827 . . . . 0.0 109.779 169.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.68 -50.39 54.98 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.705 1.202 . . . . 0.0 113.073 171.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.464 ' CE ' ' HA ' ' A' ' 77' ' ' SER . 1.5 ptpt -69.94 -40.33 75.54 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.464 -0.773 . . . . 0.0 112.915 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.26 -43.49 92.46 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.907 0.883 . . . . 0.0 109.353 176.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.9 mt -55.75 -57.37 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 121.298 -0.876 . . . . 0.0 110.534 173.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -61.78 -24.51 66.89 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.84 -37.75 18.86 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.348 1.459 . . . . 0.0 113.01 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.8 p -152.48 -3.6 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -166.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -66.49 121.14 14.65 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 119.123 -2.235 . . . . 0.0 112.186 169.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.46 -2.74 83.31 Favored Glycine 0 N--CA 1.472 1.09 0 C-N-CA 123.859 0.742 . . . . 0.0 112.304 169.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -75.97 139.89 41.77 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 127.099 2.16 . . . . 0.0 107.936 169.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.9 p -86.16 89.42 7.83 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.956 0.903 . . . . 0.0 112.405 -171.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -80.85 140.09 35.59 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.587 -0.696 . . . . 0.0 111.065 174.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.23 -60.56 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 128.332 2.653 . . . . 0.0 115.378 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -155.1 -4.15 0.14 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.858 2.063 . . . . 0.0 114.252 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -159.13 162.61 25.83 Favored Pre-proline 0 N--CA 1.478 0.958 0 CA-C-N 120.192 1.36 . . . . 0.0 111.946 -171.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -84.5 146.89 11.0 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 N-CA-C 116.113 1.543 . . . . 0.0 116.113 -171.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.41 160.29 19.44 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.068 2.147 . . . . 0.0 113.278 169.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -129.98 52.08 2.03 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 124.764 2.221 . . . . 0.0 109.757 169.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.46 105.7 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 127.552 2.341 . . . . 0.0 107.519 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.454 HG11 ' H ' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -158.89 -137.25 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-N 121.059 1.754 . . . . 0.0 113.422 -163.581 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.454 ' H ' HG11 ' A' ' 98' ' ' VAL . 15.7 m-30 -106.71 53.22 0.7 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.616 1.966 . . . . 0.0 107.945 167.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.406 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 23.1 t . . . . . 0 N--CA 1.482 1.144 0 C-N-CA 125.412 1.485 . . . . 0.0 114.497 -169.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.409 ' HA ' ' CD1' ' A' ' 99' ' ' TYR 0.339 6.8 p30 47.44 -7.02 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 119.876 3.288 . . . . 0.0 119.876 -176.714 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.5 p -144.07 20.01 1.77 Allowed 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 -169.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.424 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 13.3 mtt180 -125.23 130.57 52.35 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 117.597 2.443 . . . . 0.0 117.597 -165.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.74 115.42 29.83 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.103 -0.998 . . . . 0.0 110.22 -169.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -103.25 97.32 7.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 124.764 2.221 . . . . 0.0 105.525 -169.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.277 14.8 t -126.17 92.02 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 112.279 -2.237 . . . . 0.0 107.479 -160.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.17 -2.99 0.05 OUTLIER Pre-proline 0 CA--C 1.55 0.974 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 -165.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -59.95 -22.01 67.07 Favored 'Trans proline' 0 C--N 1.354 0.83 0 CA-C-N 123.435 2.262 . . . . 0.0 117.82 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -79.19 164.21 55.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 C-N-CA 124.525 1.13 . . . . 0.0 112.88 -168.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -83.7 -179.25 4.03 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 121.418 1.412 . . . . 0.0 110.958 164.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 mp -51.75 -20.66 2.25 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.815 1.646 . . . . 0.0 113.94 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.52 -22.75 65.42 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.002 2.121 . . . . 0.0 115.184 176.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.68 144.48 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 CA-C-N 121.345 1.884 . . . . 0.0 111.59 175.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -150.35 172.28 15.64 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 124.574 1.15 . . . . 0.0 110.175 -173.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -47.3 -35.0 7.33 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.61 1.164 . . . . 0.0 112.515 169.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -66.82 -32.79 74.29 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 120.172 1.351 . . . . 0.0 114.594 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -84.39 -37.01 22.03 Favored 'General case' 0 C--N 1.34 0.192 0 O-C-N 120.149 -1.594 . . . . 0.0 109.388 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.6 mt -63.14 -37.73 88.38 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.855 -1.066 . . . . 0.0 108.899 167.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -62.24 -42.34 99.24 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 120.322 -1.486 . . . . 0.0 112.14 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -58.34 -41.52 84.81 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 172.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.9 mt -86.84 -39.15 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.239 1.016 . . . . 0.0 112.874 -172.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.485 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 29.9 m-85 -101.1 -22.43 14.71 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.617 1.967 . . . . 0.0 113.476 -171.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -47.05 -36.58 9.24 Favored Glycine 0 CA--C 1.539 1.593 0 CA-C-O 117.882 -1.51 . . . . 0.0 115.617 169.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.45 -25.22 79.53 Favored 'Trans proline' 0 C--N 1.356 0.934 0 CA-C-N 121.269 2.535 . . . . 0.0 114.456 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.9 m-30 -81.17 -42.12 21.33 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.937 0.895 . . . . 0.0 111.349 -177.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.63 -80.55 0.27 Allowed Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.536 1.541 . . . . 0.0 113.458 174.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_exo -67.86 41.79 0.23 Allowed 'Trans proline' 0 CA--C 1.546 1.09 0 C-N-CA 125.056 3.838 . . . . 0.0 118.458 -174.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.8 ptm -62.62 67.23 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 127.116 2.166 . . . . 0.0 113.035 168.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.41 -34.95 76.93 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 129.463 3.105 . . . . 0.0 115.145 -167.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -147.26 152.74 38.81 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 123.901 0.88 . . . . 0.0 112.331 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 t -152.76 88.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 114.437 -1.256 . . . . 0.0 110.749 -163.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -69.79 140.35 53.35 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 166.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 10.1 mm -130.54 127.84 62.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.569 1.548 . . . . 0.0 109.6 175.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.0 171.36 14.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 127.217 2.207 . . . . 0.0 109.88 -171.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.05 97.83 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.483 1.513 . . . . 0.0 113.552 167.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.86 -7.61 5.25 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 115.175 0.83 . . . . 0.0 115.175 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -122.69 148.58 45.13 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 122.861 1.315 . . . . 0.0 111.941 -168.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.57 137.04 45.31 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 127.384 2.273 . . . . 0.0 107.513 172.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -125.99 86.79 2.58 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 173.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.8 t -77.9 159.19 4.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 113.225 -1.807 . . . . 0.0 107.486 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -153.3 147.77 26.02 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -171.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -127.45 164.8 21.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.984 0.897 . . . . 0.0 112.628 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -92.42 -6.87 49.1 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.893 0.877 . . . . 0.0 112.718 171.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -126.74 128.47 46.7 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.079 1.352 . . . . 0.0 111.826 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.94 -24.29 65.94 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.423 0.689 . . . . 0.0 112.293 169.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -65.61 -28.36 69.06 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.092 0.957 . . . . 0.0 112.678 172.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.479 ' HA ' ' CE ' ' A' ' 80' ' ' LYS . 10.5 t -73.3 -35.47 66.12 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 119.066 0.848 . . . . 0.0 111.732 169.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.37 -48.66 77.0 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 119.773 1.169 . . . . 0.0 110.869 171.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.76 -51.91 35.63 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.723 1.147 . . . . 0.0 112.926 172.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.479 ' CE ' ' HA ' ' A' ' 77' ' ' SER . 1.2 ptpt -69.31 -42.21 75.72 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.534 -0.729 . . . . 0.0 112.613 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.32 -42.46 91.46 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.101 0.96 . . . . 0.0 109.864 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.409 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 17.4 mt -55.63 -58.52 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.067 0.947 . . . . 0.0 109.901 174.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -63.0 -24.56 67.98 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -81.47 -38.49 26.28 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.18 1.392 . . . . 0.0 113.32 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.4 p -151.6 -6.41 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 116.334 1.976 . . . . 0.0 116.334 -167.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 9.4 t60 -66.23 122.52 17.66 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 119.077 -2.264 . . . . 0.0 112.227 169.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.54 -4.68 73.25 Favored Glycine 0 N--CA 1.472 1.099 0 C-N-CA 123.846 0.736 . . . . 0.0 111.979 169.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -78.69 140.97 38.28 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 127.074 2.15 . . . . 0.0 108.152 171.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 65.1 p -89.73 104.59 17.14 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.576 1.15 . . . . 0.0 112.542 -170.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -102.26 145.17 29.82 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.63 -0.669 . . . . 0.0 111.006 172.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 53.04 -58.51 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 128.724 2.81 . . . . 0.0 117.995 176.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -144.02 -13.05 0.64 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.624 1.569 . . . . 0.0 114.316 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -165.08 168.69 8.27 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 124.42 1.088 . . . . 0.0 112.069 -168.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -76.37 148.66 30.39 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 N-CA-C 116.417 1.661 . . . . 0.0 116.417 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.9 153.68 42.89 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 127.011 2.124 . . . . 0.0 112.311 169.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -129.88 50.06 2.21 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 125.268 2.461 . . . . 0.0 109.434 -176.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 55.6 t -68.1 104.41 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 128.181 2.592 . . . . 0.0 107.366 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.409 HG11 ' H ' ' A' ' 99' ' ' TYR . 1.5 p -159.37 -135.47 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 121.281 1.855 . . . . 0.0 114.01 -162.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.409 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 10.7 m-30 -107.92 68.51 0.71 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 103.635 -2.728 . . . . 0.0 103.635 164.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.424 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 13.6 t . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -167.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 45.66 -2.37 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.21 1 C-N-CA 132.712 4.405 . . . . 0.0 120.469 174.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.7 p -144.66 27.26 1.36 Allowed 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.362 1.892 . . . . 0.0 114.867 -166.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.423 ' CB ' ' HB3' ' A' ' 100' ' ' SER . 35.0 mtt180 -133.29 132.15 41.02 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 -165.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.61 106.21 16.17 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 113.892 -1.504 . . . . 0.0 109.935 -169.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -99.15 96.57 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 125.524 2.583 . . . . 0.0 106.637 -169.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.306 24.3 t -122.3 96.43 4.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 111.332 -2.667 . . . . 0.0 108.041 -159.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.7 ptt-85 -132.72 14.53 0.05 OUTLIER Pre-proline 0 CA--C 1.555 1.166 0 N-CA-C 119.766 3.247 . . . . 0.0 119.766 -166.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.417 ' HD2' ' CE1' ' A' ' 39' ' ' PHE . 61.2 Cg_endo -69.4 -36.34 11.94 Favored 'Trans proline' 0 C--N 1.355 0.889 0 CA-C-N 123.574 2.312 . . . . 0.0 113.966 177.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CE1' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -71.22 152.38 94.47 Favored Pre-proline 0 C--N 1.327 -0.384 0 C-N-CA 126.58 1.952 . . . . 0.0 112.156 -173.623 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.9 -157.08 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.127 0 C-N-CA 121.925 1.75 . . . . 0.0 110.014 164.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -53.31 -12.7 0.44 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.59 1.556 . . . . 0.0 114.965 176.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.54 -31.4 70.5 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.315 1.846 . . . . 0.0 115.357 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.3 p -76.17 136.62 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 119.775 1.171 . . . . 0.0 111.973 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.0 172.61 12.44 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.258 1.423 . . . . 0.0 109.405 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -53.66 -29.67 39.59 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.92 0.888 . . . . 0.0 113.179 174.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -67.47 -33.86 75.99 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 172.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -82.67 -38.52 23.33 Favored 'General case' 0 C--N 1.334 -0.106 0 O-C-N 120.235 -1.54 . . . . 0.0 108.288 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.1 mt -64.62 -35.62 81.59 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.022 0.929 . . . . 0.0 109.806 168.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -59.79 -45.43 92.33 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 120.19 -1.569 . . . . 0.0 112.169 169.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -62.01 -35.34 78.25 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.3 mt -92.68 -31.28 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.326 1.05 . . . . 0.0 112.627 -172.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -108.41 -18.22 13.8 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.448 1.499 . . . . 0.0 113.375 -172.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.85 -33.51 28.2 Favored Glycine 0 CA--C 1.545 1.928 0 CA-C-O 117.325 -1.819 . . . . 0.0 114.452 167.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.76 -28.36 81.87 Favored 'Trans proline' 0 C--N 1.356 0.968 0 CA-C-N 121.781 2.79 . . . . 0.0 114.208 171.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -82.12 -51.83 7.6 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.355 1.062 . . . . 0.0 109.848 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.85 -75.11 0.4 Allowed Glycine 0 CA--C 1.536 1.368 0 N-CA-C 117.325 1.69 . . . . 0.0 117.325 167.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -78.19 32.29 0.45 Allowed 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 124.436 3.424 . . . . 0.0 116.024 -166.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -46.88 99.93 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.439 1.496 . . . . 0.0 111.412 168.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.79 -24.72 10.73 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 126.39 1.876 . . . . 0.0 112.469 -167.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -139.33 154.55 47.91 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.31 0.576 . . . . 0.0 109.848 163.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t -151.47 66.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 125.528 1.531 . . . . 0.0 107.497 -168.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.1 mtpp -65.82 120.73 13.56 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 9.8 mm -114.1 124.67 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.214 1.006 . . . . 0.0 110.275 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 mp -133.42 -179.66 5.65 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.412 2.285 . . . . 0.0 110.267 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -54.35 44.49 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.348 1 C-N-CA 131.859 4.064 . . . . 0.0 118.233 -171.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.04 14.93 10.39 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 126.175 1.845 . . . . 0.0 112.551 -169.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -135.46 144.86 46.65 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.347 1.073 . . . . 0.0 111.376 -177.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.69 137.54 53.28 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 127.561 2.344 . . . . 0.0 107.801 172.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -130.67 82.75 2.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 175.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.7 t -73.31 159.51 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 113.782 -1.554 . . . . 0.0 107.974 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -153.19 147.64 25.98 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 121.14 -0.975 . . . . 0.0 110.135 -170.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -130.64 162.3 29.68 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.283 1.033 . . . . 0.0 113.603 177.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.97 -8.83 59.85 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -175.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.55 179.58 7.7 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.251 1.82 . . . . 0.0 110.913 172.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.25 -2.18 34.48 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -174.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -76.09 -40.09 53.84 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 120.556 -1.34 . . . . 0.0 111.27 176.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 p -58.51 -44.03 89.35 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 126.221 1.809 . . . . 0.0 111.666 169.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.06 -46.38 89.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 117.997 -1.001 . . . . 0.0 111.363 171.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.26 -49.34 67.09 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.835 1.198 . . . . 0.0 112.459 176.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -67.95 -41.29 82.73 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 174.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.45 -44.41 89.22 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 119.24 0.927 . . . . 0.0 109.54 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.1 mt -53.23 -59.28 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.722 1.209 . . . . 0.0 109.948 172.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -61.05 -27.6 68.46 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -177.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.9 -38.27 28.28 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.223 1.409 . . . . 0.0 113.76 -178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.9 p -147.35 -4.81 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 -167.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -66.32 124.54 22.99 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 119.281 -2.137 . . . . 0.0 112.418 169.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.92 -2.25 87.77 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 125.12 1.343 . . . . 0.0 112.321 170.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -77.01 143.27 39.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 126.419 1.888 . . . . 0.0 107.558 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.3 p -92.49 93.91 8.81 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 124.759 1.224 . . . . 0.0 112.141 -169.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -87.37 141.75 28.4 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 122.077 -0.39 . . . . 0.0 111.32 174.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.22 -62.55 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 128.31 2.644 . . . . 0.0 115.707 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -152.77 -5.18 0.21 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.131 1.772 . . . . 0.0 113.992 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -159.6 168.71 11.65 Favored Pre-proline 0 CA--C 1.552 1.051 0 CA-C-N 119.906 1.23 . . . . 0.0 112.148 -174.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -82.09 160.27 18.05 Favored 'Trans proline' 0 C--N 1.352 0.746 0 N-CA-C 116.784 1.801 . . . . 0.0 116.784 -171.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -82.82 153.47 25.17 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.024 2.129 . . . . 0.0 113.03 170.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -120.29 51.42 1.21 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 124.583 2.135 . . . . 0.0 109.816 170.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.7 104.01 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.923 2.089 . . . . 0.0 107.084 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.542 HG13 ' H ' ' A' ' 99' ' ' TYR 0.263 0.8 OUTLIER -158.26 -129.9 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 121.007 1.731 . . . . 0.0 112.975 -164.214 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.542 ' H ' HG13 ' A' ' 98' ' ' VAL . 15.8 m-30 -105.84 11.34 32.0 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.067 2.147 . . . . 0.0 111.445 168.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.423 ' HB3' ' CB ' ' A' ' 33' ' ' ARG 0.34 21.3 t . . . . . 0 N--CA 1.481 1.118 2 C-N-CA 133.202 4.601 . . . . 0.0 122.184 -169.62 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.3 m . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 116.91 2.189 . . . . 0.0 116.91 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.466 ' HA ' ' CD1' ' A' ' 99' ' ' TYR 0.316 2.3 p30 52.37 -4.33 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 128.256 2.622 . . . . 0.0 117.839 -173.826 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.3 p -141.38 24.1 2.12 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 118.039 2.607 . . . . 0.0 118.039 -168.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -134.86 133.51 39.78 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 117.1 2.259 . . . . 0.0 117.1 -169.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.19 106.1 16.13 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.53 -170.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.424 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 3.5 t80 -93.77 99.99 12.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 125.07 2.367 . . . . 0.0 106.788 -173.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.303 24.8 t -128.03 83.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 111.807 -2.452 . . . . 0.0 107.563 -160.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.93 -6.08 0.08 OUTLIER Pre-proline 0 CA--C 1.553 1.077 0 N-CA-C 118.742 2.867 . . . . 0.0 118.742 -172.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_exo -50.43 -26.03 15.35 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.855 3.037 . . . . 0.0 118.709 176.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.44 162.88 52.2 Favored Pre-proline 0 C--O 1.237 0.409 0 C-N-CA 125.1 1.36 . . . . 0.0 114.472 -169.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -84.27 -177.3 2.93 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 121.947 1.765 . . . . 0.0 110.173 163.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mp -57.93 -12.5 3.28 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.325 1.45 . . . . 0.0 114.331 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.36 -24.81 67.56 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.24 1.816 . . . . 0.0 114.024 171.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.7 151.52 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 119.98 1.263 . . . . 0.0 109.998 169.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.69 179.27 1.73 Allowed 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 125.441 1.496 . . . . 0.0 108.913 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -51.27 -29.51 14.92 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 124.098 0.959 . . . . 0.0 112.96 -174.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.6 p -68.77 -34.25 75.25 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.258 1.39 . . . . 0.0 114.737 173.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -77.02 -43.13 35.81 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 122.686 1.231 . . . . 0.0 108.486 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.9 mt -63.5 -34.87 78.73 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.805 173.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -63.09 -46.34 87.85 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 119.822 -1.799 . . . . 0.0 112.319 171.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -57.16 -37.24 71.78 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.4 mt -90.29 -39.46 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 123.791 0.836 . . . . 0.0 112.627 -174.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.455 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 24.5 m-85 -105.49 -21.67 13.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.78 1.632 . . . . 0.0 114.034 -169.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.01 -34.76 24.22 Favored Glycine 0 CA--C 1.541 1.716 0 CA-C-O 117.704 -1.609 . . . . 0.0 114.648 169.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.06 -26.61 82.91 Favored 'Trans proline' 0 C--N 1.359 1.097 0 CA-C-N 121.204 2.502 . . . . 0.0 114.592 170.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.0 OUTLIER -82.01 -50.36 9.2 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.039 0.836 . . . . 0.0 109.565 -179.373 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.12 -72.2 0.49 Allowed Glycine 0 CA--C 1.537 1.434 0 N-CA-C 119.003 2.361 . . . . 0.0 119.003 166.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -68.63 -35.73 16.21 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.759 2.306 . . . . 0.0 117.038 -165.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.2 mtp 31.65 51.36 0.17 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 126.73 2.012 . . . . 0.0 114.594 -176.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.64 -29.32 37.73 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 126.267 1.827 . . . . 0.0 112.845 -169.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -155.72 157.07 35.99 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 124.024 0.93 . . . . 0.0 111.607 169.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 t -151.52 68.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 -168.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -68.01 115.85 7.98 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -176.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.5 mt -123.26 125.29 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.281 1.033 . . . . 0.0 110.804 -170.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mp -135.45 94.62 3.13 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 127.407 2.283 . . . . 0.0 109.339 -168.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 48.16 -101.66 0.08 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 125.256 1.422 . . . . 0.0 112.451 -174.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.68 -4.16 87.67 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 126.023 1.773 . . . . 0.0 115.584 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -117.89 151.92 36.43 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 118.986 1.393 . . . . 0.0 112.402 -168.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.28 139.22 45.56 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 126.585 1.954 . . . . 0.0 109.12 174.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -130.8 79.9 1.92 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 175.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 t -71.45 156.22 7.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 113.445 -1.707 . . . . 0.0 107.41 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -151.13 148.11 27.88 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -169.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -126.62 157.89 37.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.882 170.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -84.77 -4.81 59.23 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.78 -0.575 . . . . 0.0 112.341 173.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.39 163.97 31.5 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.197 1.399 . . . . 0.0 112.611 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.5 -8.23 53.3 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -171.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -79.76 -40.06 29.61 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.364 1.438 . . . . 0.0 111.814 -178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.1 t -61.86 -36.53 81.51 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.425 0.557 . . . . 0.0 110.95 168.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.7 -49.58 67.98 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.598 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.79 -50.61 63.25 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.641 1.176 . . . . 0.0 112.155 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -68.18 -41.33 81.62 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 117.668 -1.158 . . . . 0.0 112.55 175.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.08 78.09 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.587 1.085 . . . . 0.0 109.833 177.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.9 mt -53.0 -60.2 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.618 1.167 . . . . 0.0 110.247 173.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -63.34 -25.07 68.13 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -79.33 -39.33 33.01 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.058 1.743 . . . . 0.0 112.824 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.7 p -150.65 -2.28 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 116.613 2.079 . . . . 0.0 116.613 -167.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -66.09 121.73 15.81 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 119.169 -2.207 . . . . 0.0 112.434 168.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.95 -3.98 83.03 Favored Glycine 0 N--CA 1.47 0.906 0 C-N-CA 124.061 0.839 . . . . 0.0 112.461 169.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -75.73 143.37 42.1 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 126.869 2.068 . . . . 0.0 106.982 168.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 42.5 t -91.38 120.89 32.63 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.239 0.543 . . . . 0.0 112.178 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -112.73 142.47 45.31 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.237 170.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 58.21 -53.43 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 129.389 3.075 . . . . 0.0 115.247 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -157.29 -9.96 0.09 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.621 1.968 . . . . 0.0 114.346 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -159.46 161.73 26.71 Favored Pre-proline 0 CA--C 1.55 0.954 0 CA-C-N 120.148 1.34 . . . . 0.0 111.555 -169.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -78.75 146.05 20.71 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 N-CA-C 117.002 1.885 . . . . 0.0 117.002 -172.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.26 152.35 45.1 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.939 2.096 . . . . 0.0 112.556 172.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -122.57 50.56 1.48 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 124.904 2.288 . . . . 0.0 109.565 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.49 99.47 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 127.974 2.51 . . . . 0.0 107.053 -178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.637 ' CG1' ' H ' ' A' ' 99' ' ' TYR 0.286 1.2 p -156.52 -115.76 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 120.692 1.587 . . . . 0.0 113.488 -163.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.637 ' H ' ' CG1' ' A' ' 98' ' ' VAL . 5.7 m-85 -117.0 13.96 14.94 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 128.556 2.742 . . . . 0.0 110.189 171.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.424 ' CB ' ' HB2' ' A' ' 35' ' ' PHE 0.312 18.1 t . . . . . 0 CA--C 1.535 0.403 0 C-N-CA 130.105 3.362 . . . . 0.0 116.686 -170.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.411 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.6 OUTLIER 65.21 -12.77 0.13 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 128.498 2.719 . . . . 0.0 117.178 179.759 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 p -141.65 25.4 2.0 Allowed 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 117.779 2.511 . . . . 0.0 117.779 -164.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -126.71 126.16 43.03 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -168.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.61 103.18 12.57 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.56 -1.2 . . . . 0.0 109.356 -170.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -93.35 101.02 13.25 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 124.633 2.159 . . . . 0.0 107.465 -172.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.254 49.2 t -130.51 91.69 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 112.01 -2.359 . . . . 0.0 109.156 -158.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -126.26 16.13 0.07 OUTLIER Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -169.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -69.85 -30.52 21.74 Favored 'Trans proline' 0 C--N 1.354 0.823 0 CA-C-N 122.574 1.955 . . . . 0.0 114.032 -176.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -83.57 162.38 53.46 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 125.677 1.591 . . . . 0.0 113.654 -168.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -77.78 -169.79 0.82 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 122.652 2.235 . . . . 0.0 111.01 165.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.434 ' H ' ' CD2' ' A' ' 41' ' ' LEU . 1.1 mm? -50.31 -23.35 2.25 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.288 1.835 . . . . 0.0 114.037 177.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.54 -16.09 63.76 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.873 1.669 . . . . 0.0 115.097 -175.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.7 p -68.96 139.47 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-N 120.889 1.677 . . . . 0.0 109.163 168.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -149.97 172.01 15.9 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.726 1.21 . . . . 0.0 108.722 -177.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.42 -31.76 55.94 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 118.705 -0.664 . . . . 0.0 112.065 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -60.32 -36.75 78.64 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 172.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -80.65 -41.27 24.1 Favored 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 125.443 1.497 . . . . 0.0 108.737 -176.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 mt -63.57 -35.85 81.85 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.174 170.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.78 -42.31 97.77 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 119.925 -1.735 . . . . 0.0 111.816 172.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -62.31 -39.74 94.0 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 174.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.1 mt -84.88 -36.4 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 123.658 0.783 . . . . 0.0 111.98 -173.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.466 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 19.9 m-85 -106.4 -21.71 13.01 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.52 1.528 . . . . 0.0 113.398 -170.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.73 -33.61 35.04 Favored Glycine 0 CA--C 1.544 1.857 0 CA-C-O 117.588 -1.673 . . . . 0.0 114.927 168.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.24 -26.62 83.04 Favored 'Trans proline' 0 C--N 1.358 1.038 0 CA-C-N 121.482 2.641 . . . . 0.0 114.203 170.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.466 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.8 m-30 -78.92 -44.73 22.03 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.609 0.763 . . . . 0.0 109.987 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.65 -80.21 0.34 Allowed Glycine 0 CA--C 1.528 0.882 0 CA-C-N 114.723 -1.126 . . . . 0.0 113.122 167.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -58.61 137.17 78.68 Favored 'Trans proline' 0 CA--C 1.548 1.209 0 C-N-CA 122.821 2.347 . . . . 0.0 111.849 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.4 mtp -153.24 53.82 0.75 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 127.955 2.502 . . . . 0.0 109.803 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -29.49 11.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 113.336 -1.757 . . . . 0.0 114.248 -174.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.49 158.32 37.02 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-O 122.18 0.99 . . . . 0.0 111.693 176.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 t -153.77 70.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 112.933 -1.94 . . . . 0.0 107.325 -167.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.86 117.73 11.81 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.9 mt -124.74 120.5 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.843 0.857 . . . . 0.0 109.756 -173.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.8 mp -127.99 96.74 4.57 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 126.933 2.093 . . . . 0.0 109.353 -167.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 52.21 -90.79 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.217 1.407 . . . . 0.0 112.362 -173.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.95 4.03 35.91 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 126.652 2.072 . . . . 0.0 115.918 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -115.96 150.99 36.28 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.135 1.468 . . . . 0.0 111.211 -172.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.21 139.51 49.72 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 126.043 1.737 . . . . 0.0 109.958 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.81 79.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 176.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.5 t -69.61 156.27 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 113.258 -1.792 . . . . 0.0 107.415 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -154.8 141.99 19.42 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.896 -1.149 . . . . 0.0 107.896 -168.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -127.66 154.73 44.93 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 122.625 1.202 . . . . 0.0 114.033 -173.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -78.67 -11.14 59.96 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.444 1.898 . . . . 0.0 114.187 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.99 173.81 13.42 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.857 2.063 . . . . 0.0 111.172 175.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.66 8.65 44.28 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -171.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -93.37 -42.01 9.52 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.67 1.188 . . . . 0.0 112.702 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.5 t -60.86 -36.13 78.38 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 167.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.12 -51.38 54.76 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.805 174.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.06 -48.21 67.84 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.446 1.021 . . . . 0.0 112.233 176.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -37.99 69.91 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 117.487 -1.244 . . . . 0.0 113.174 175.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.85 -45.47 78.44 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 119.866 1.212 . . . . 0.0 109.677 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.0 mt -53.87 -59.4 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.442 1.097 . . . . 0.0 110.54 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -63.55 -22.04 66.68 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -85.52 -37.15 19.98 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.415 1.886 . . . . 0.0 112.887 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.0 p -151.84 -4.8 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 N-CA-C 116.38 1.992 . . . . 0.0 116.38 -167.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -65.03 119.41 10.71 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 118.844 -2.41 . . . . 0.0 112.604 168.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.88 0.02 78.77 Favored Glycine 0 N--CA 1.473 1.161 0 C-N-CA 123.673 0.654 . . . . 0.0 112.092 169.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -82.0 137.68 35.05 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 127.152 2.181 . . . . 0.0 107.98 171.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.9 p -82.66 92.91 7.25 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 124.356 1.063 . . . . 0.0 112.096 -172.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -86.75 138.37 31.67 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.544 -0.722 . . . . 0.0 111.256 173.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 56.17 -55.62 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 129.241 3.016 . . . . 0.0 116.323 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -153.57 -12.3 0.15 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.989 2.115 . . . . 0.0 113.747 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -157.5 160.97 30.01 Favored Pre-proline 0 N--CA 1.478 0.943 0 CA-C-N 119.82 1.191 . . . . 0.0 112.008 -171.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -77.69 152.96 29.65 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 N-CA-C 115.359 1.254 . . . . 0.0 115.359 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.92 158.57 31.87 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.577 1.951 . . . . 0.0 113.345 173.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -123.11 50.79 1.51 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 124.447 2.07 . . . . 0.0 109.947 169.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.58 99.52 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 126.532 1.933 . . . . 0.0 106.58 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.584 HG13 ' H ' ' A' ' 99' ' ' TYR 0.258 0.8 OUTLIER -157.43 -127.32 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 121.008 1.731 . . . . 0.0 112.659 -164.533 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.584 ' H ' HG13 ' A' ' 98' ' ' VAL . 10.7 m-30 -104.69 13.82 30.81 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.711 2.404 . . . . 0.0 110.067 166.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . 0.311 28.6 t . . . . . 0 N--CA 1.469 0.479 0 C-N-CA 129.721 3.208 . . . . 0.0 114.347 -168.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 CA--C 1.546 0.811 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.28 7.0 p30 48.22 0.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 130.824 3.65 . . . . 0.0 120.315 169.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.5 p -145.38 18.3 1.53 Allowed 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.234 1.379 . . . . 0.0 114.201 -170.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -125.99 134.17 51.56 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 -163.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.454 ' HA ' ' H ' ' A' ' 98' ' ' VAL . 0.2 OUTLIER -111.4 104.06 12.48 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 113.273 -1.785 . . . . 0.0 110.848 -167.44 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -97.47 99.62 11.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 124.343 2.021 . . . . 0.0 108.687 -169.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 m -136.3 129.69 46.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.076 -1.42 . . . . 0.0 108.822 -168.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.63 8.25 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.941 0 N-CA-C 119.938 3.31 . . . . 0.0 119.938 -167.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -47.76 -49.29 13.88 Favored 'Trans proline' 0 C--N 1.355 0.917 0 CA-C-N 123.99 2.461 . . . . 0.0 115.636 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.13 141.71 98.37 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 128.959 2.904 . . . . 0.0 115.348 -168.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -60.38 -162.47 0.03 OUTLIER 'Trans proline' 0 CA--C 1.554 1.486 0 C-N-CA 124.745 3.63 . . . . 0.0 113.273 164.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.61 31.82 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.836 2.054 . . . . 0.0 113.635 172.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -126.37 -19.33 4.68 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 116.48 2.03 . . . . 0.0 116.48 -169.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.2 p -63.21 151.88 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-N 119.666 1.121 . . . . 0.0 109.649 168.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -142.78 165.69 26.7 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 123.71 0.804 . . . . 0.0 110.372 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.21 -24.29 6.99 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 169.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.7 m -72.7 -34.88 67.44 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.718 1.607 . . . . 0.0 113.477 172.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -73.93 -42.78 60.09 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 120.861 -1.149 . . . . 0.0 108.067 177.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.54 -31.15 71.05 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.605 173.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.47 -41.4 97.18 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 119.013 -2.305 . . . . 0.0 112.069 169.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -65.43 -34.84 79.23 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 172.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.4 mt -86.06 -39.89 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.709 0.804 . . . . 0.0 112.676 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.476 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 48.4 m-85 -108.36 -22.15 12.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.403 1.881 . . . . 0.0 113.39 -169.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.58 -33.36 47.87 Favored Glycine 0 CA--C 1.542 1.742 0 CA-C-O 117.583 -1.676 . . . . 0.0 115.057 168.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -58.86 -28.07 86.11 Favored 'Trans proline' 0 C--N 1.359 1.118 0 CA-C-N 121.305 2.553 . . . . 0.0 114.336 170.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.0 m-30 -80.85 -43.72 19.53 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.798 0.839 . . . . 0.0 110.749 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.69 -69.83 0.41 Allowed Glycine 0 CA--C 1.533 1.202 0 N-CA-C 116.475 1.35 . . . . 0.0 116.475 168.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -85.55 36.05 0.52 Allowed 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.431 2.754 . . . . 0.0 115.545 -166.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.7 ptp -48.07 103.83 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 CA-C-N 120.092 1.315 . . . . 0.0 110.253 167.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.95 -27.92 8.99 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 127.659 2.384 . . . . 0.0 112.271 -166.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -141.85 153.59 44.57 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 123.652 0.781 . . . . 0.0 110.115 168.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 t -151.56 65.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 -168.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -70.47 118.03 12.76 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.0 mt -126.54 125.81 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-O 122.04 0.924 . . . . 0.0 110.437 -174.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 mp -130.88 -173.68 3.16 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 128.488 2.715 . . . . 0.0 109.207 -172.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -48.8 41.5 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.371 1 C-N-CA 133.301 4.64 . . . . 0.0 118.518 -173.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.87 22.11 9.68 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 126.281 1.896 . . . . 0.0 112.21 -167.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -133.17 148.16 52.06 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.508 1.154 . . . . 0.0 111.194 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.13 131.17 36.53 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 126.055 1.742 . . . . 0.0 108.502 173.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -121.92 79.8 1.62 Allowed 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 104.45 -2.426 . . . . 0.0 104.45 174.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -68.74 163.33 3.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 113.256 -1.793 . . . . 0.0 107.428 172.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -156.48 155.2 31.6 Favored 'General case' 0 C--N 1.313 -1.0 0 O-C-N 121.295 -0.878 . . . . 0.0 108.96 -173.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.471 ' CD2' ' HB3' ' A' ' 77' ' ' SER . 14.1 m-85 -128.66 165.34 21.03 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 124.539 1.135 . . . . 0.0 111.134 173.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -97.64 17.26 18.22 Favored 'General case' 0 CA--C 1.557 1.212 0 CA-C-O 121.935 0.874 . . . . 0.0 109.916 167.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -139.05 103.01 4.67 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 128.298 2.639 . . . . 0.0 109.927 -169.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.49 -30.57 63.11 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.025 0.93 . . . . 0.0 112.799 173.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -69.0 -23.08 64.05 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.094 -1.004 . . . . 0.0 112.944 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.471 ' HB3' ' CD2' ' A' ' 72' ' ' PHE . 7.2 t -76.22 -34.1 59.25 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 119.174 0.897 . . . . 0.0 111.921 169.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.45 -48.48 80.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.148 169.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.85 -51.37 30.04 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.758 1.163 . . . . 0.0 112.745 171.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -68.96 -42.92 76.0 Favored 'General case' 0 C--N 1.346 0.417 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.7 88.82 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.269 1.028 . . . . 0.0 109.555 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.3 mt -56.98 -58.77 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 124.316 1.046 . . . . 0.0 109.943 174.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -63.4 -27.18 69.13 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -177.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.99 -44.61 47.18 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.855 1.262 . . . . 0.0 112.482 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.4 p -152.83 10.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 -165.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -74.28 121.45 21.31 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 119.377 -2.077 . . . . 0.0 111.242 168.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.61 -3.45 86.25 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 125.023 1.297 . . . . 0.0 111.999 176.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.29 136.23 35.76 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 127.699 2.4 . . . . 0.0 108.302 171.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.7 p -77.95 116.52 18.51 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 125.408 1.483 . . . . 0.0 111.963 -173.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -114.25 142.93 45.65 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.973 -0.455 . . . . 0.0 111.464 169.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.25 -59.15 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 128.268 2.627 . . . . 0.0 116.921 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -155.08 -1.15 0.16 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.232 2.213 . . . . 0.0 113.504 -172.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.92 165.2 1.86 Allowed Pre-proline 0 N--CA 1.487 1.417 0 CA-C-N 120.001 1.273 . . . . 0.0 112.786 -178.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -76.68 165.95 27.97 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 122.081 1.854 . . . . 0.0 116.454 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.85 145.76 29.94 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.228 3.011 . . . . 0.0 112.935 -171.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.15 52.6 0.86 Allowed 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 124.998 2.333 . . . . 0.0 110.686 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 59.0 t -60.06 107.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 113.482 -1.69 . . . . 0.0 107.981 172.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.454 ' H ' ' HA ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -158.81 -140.44 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 117.609 -1.636 . . . . 0.0 115.401 -165.259 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.401 ' H ' ' CG1' ' A' ' 98' ' ' VAL . 7.0 m-85 -106.53 67.57 0.73 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 104.303 -2.481 . . . . 0.0 104.303 165.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.2 t . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 117.325 2.342 . . . . 0.0 117.325 -168.226 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.6 m . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 119.138 -0.458 . . . . 0.0 111.815 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.301 0.2 OUTLIER 53.02 -13.57 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 119.368 3.099 . . . . 0.0 119.368 175.383 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.1 p -144.13 31.91 1.24 Allowed 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 116.774 2.138 . . . . 0.0 116.774 -167.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.432 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 7.0 mtt180 -136.15 129.77 32.25 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 120.958 1.708 . . . . 0.0 114.827 -167.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.408 ' HA ' ' H ' ' A' ' 98' ' ' VAL . 0.2 OUTLIER -111.5 120.41 42.03 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.886 -1.134 . . . . 0.0 112.585 -169.137 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -108.3 102.28 11.42 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 125.04 2.353 . . . . 0.0 105.483 -169.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.308 12.6 t -128.16 103.32 9.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 111.788 -2.46 . . . . 0.0 106.66 -160.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.8 ptt85 -138.28 1.25 0.03 OUTLIER Pre-proline 0 CA--C 1.555 1.157 0 N-CA-C 120.054 3.353 . . . . 0.0 120.054 -164.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -54.46 -38.47 89.78 Favored 'Trans proline' 0 C--N 1.356 0.936 0 CA-C-N 123.899 2.428 . . . . 0.0 116.431 176.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.87 162.09 76.15 Favored Pre-proline 0 CA--C 1.535 0.366 0 C-N-CA 126.925 2.09 . . . . 0.0 113.752 -168.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -79.6 -175.39 2.7 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 122.21 1.94 . . . . 0.0 111.535 166.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.6 mp -50.91 -21.93 1.98 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.531 1.933 . . . . 0.0 113.958 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -63.56 -19.68 65.0 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.404 1.882 . . . . 0.0 114.529 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.08 140.0 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 120.821 1.646 . . . . 0.0 111.422 173.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -150.32 171.99 16.1 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 126.247 1.819 . . . . 0.0 109.587 -170.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.41 -29.3 34.2 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-O 118.306 -0.854 . . . . 0.0 112.205 173.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.3 p -66.89 -35.0 79.02 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 120.604 1.547 . . . . 0.0 114.318 173.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.34 -45.4 39.67 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 124.536 2.112 . . . . 0.0 107.996 -176.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.78 -37.25 86.97 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 112.569 -2.105 . . . . 0.0 109.696 171.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -61.68 -40.35 94.67 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.255 -1.528 . . . . 0.0 111.861 173.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -61.24 -40.73 95.14 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 172.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 91.6 mt -82.44 -41.04 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -176.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.445 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 37.3 m-85 -102.02 -23.82 14.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.158 2.183 . . . . 0.0 114.008 -169.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -48.74 -33.41 12.66 Favored Glycine 0 CA--C 1.543 1.829 0 CA-C-O 117.583 -1.676 . . . . 0.0 115.144 171.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -63.06 -22.73 73.62 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 CA-C-N 121.544 2.672 . . . . 0.0 114.89 172.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.445 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 4.7 m-30 -80.25 -53.31 6.77 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.077 0.853 . . . . 0.0 111.93 -172.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.25 -118.0 0.8 Allowed Glycine 0 CA--C 1.536 1.38 0 CA-C-O 119.001 -0.888 . . . . 0.0 115.159 -168.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -77.77 -34.92 1.63 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.067 2.511 . . . . 0.0 117.186 -166.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.8 ptm 33.63 60.67 0.49 Allowed 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 123.717 1.723 . . . . 0.0 112.795 -170.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -30.95 70.1 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 127.989 2.516 . . . . 0.0 114.935 -167.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -141.2 152.23 44.45 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.456 0.646 . . . . 0.0 110.692 168.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.6 t -151.2 76.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 124.413 1.085 . . . . 0.0 108.421 -166.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -83.23 123.01 29.16 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.158 -173.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.5 mm -116.17 126.46 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.674 1.59 . . . . 0.0 111.627 -169.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mp -135.63 -177.37 4.64 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 127.384 2.274 . . . . 0.0 110.142 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -53.75 40.59 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.476 1 C-N-CA 132.317 4.247 . . . . 0.0 118.634 -170.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.99 6.24 12.71 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 126.45 1.976 . . . . 0.0 112.026 -168.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -130.14 147.18 51.85 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 118.141 0.971 . . . . 0.0 111.424 -170.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.56 135.29 40.21 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 126.671 1.988 . . . . 0.0 108.438 177.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -127.69 83.12 2.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 177.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.8 t -76.3 160.6 4.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 113.217 -1.81 . . . . 0.0 107.763 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -156.73 149.55 23.75 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 121.506 -0.746 . . . . 0.0 109.619 -168.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -128.66 152.9 47.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.629 1.204 . . . . 0.0 112.263 174.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -75.12 -13.69 60.5 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 114.422 -1.263 . . . . 0.0 112.507 169.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -136.13 146.14 46.62 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.32 1.848 . . . . 0.0 113.511 -169.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.29 -24.46 54.41 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -175.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -70.35 -38.27 74.77 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.43 1.014 . . . . 0.0 111.554 -177.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.9 t -65.32 -34.55 78.61 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 121.472 -0.768 . . . . 0.0 112.576 170.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.76 -50.5 50.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 118.988 0.813 . . . . 0.0 111.838 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.1 -47.83 68.28 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.594 1.157 . . . . 0.0 112.1 173.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -68.83 -40.65 79.33 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 118.202 -0.904 . . . . 0.0 112.519 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.66 -46.16 81.23 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 119.162 0.892 . . . . 0.0 110.133 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 9.6 mt -53.9 -57.62 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 121.268 -0.895 . . . . 0.0 110.35 173.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -65.14 -23.94 67.27 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -82.85 -35.49 26.25 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.954 1.702 . . . . 0.0 112.957 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.1 p -150.96 -8.78 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 -166.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -62.76 114.93 3.9 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 119.203 -2.185 . . . . 0.0 112.106 169.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.05 0.01 62.08 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.236 0.922 . . . . 0.0 112.507 170.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -84.22 137.57 33.42 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 127.164 2.186 . . . . 0.0 108.211 175.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.4 p -83.41 97.14 8.8 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.702 1.201 . . . . 0.0 111.96 -171.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -91.12 142.94 27.2 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.16 -0.963 . . . . 0.0 112.027 170.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.36 -63.54 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 128.389 2.676 . . . . 0.0 115.774 -175.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -151.79 -1.25 0.32 Allowed 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.152 1.781 . . . . 0.0 114.426 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -159.56 162.67 24.89 Favored Pre-proline 0 N--CA 1.477 0.886 0 CA-C-N 119.843 1.201 . . . . 0.0 111.908 -174.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -81.16 152.8 18.59 Favored 'Trans proline' 0 C--N 1.349 0.569 0 N-CA-C 116.013 1.505 . . . . 0.0 116.013 -174.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.32 158.68 35.36 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.368 1.867 . . . . 0.0 112.475 169.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -135.37 52.88 2.0 Allowed 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 125.606 2.622 . . . . 0.0 108.641 -176.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 51.7 t -73.42 106.92 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 129.626 3.17 . . . . 0.0 108.008 -175.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.558 ' CG1' ' H ' ' A' ' 99' ' ' TYR 0.279 2.1 p -157.91 -121.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 121.5 1.955 . . . . 0.0 115.807 -162.2 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.558 ' H ' ' CG1' ' A' ' 98' ' ' VAL . 10.5 m-30 -116.12 45.3 1.78 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 128.498 2.719 . . . . 0.0 108.649 172.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.432 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 17.4 m . . . . . 0 N--CA 1.47 0.534 0 N-CA-C 117.843 2.535 . . . . 0.0 117.843 -167.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 120.358 0.123 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.439 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.7 OUTLIER 61.65 6.26 1.5 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.393 2.277 . . . . 0.0 114.989 -171.015 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.6 p -148.21 22.6 1.07 Allowed 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 -165.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -136.64 124.23 22.29 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 123.273 2.76 . . . . 0.0 116.261 -170.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.491 ' HA ' ' H ' ' A' ' 98' ' ' VAL . 0.2 OUTLIER -104.15 107.36 18.22 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 120.139 -1.601 . . . . 0.0 112.514 -167.84 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -102.6 97.3 7.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 124.377 2.036 . . . . 0.0 111.239 -169.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -128.14 127.28 67.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 122.855 1.312 . . . . 0.0 108.636 -169.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 ptt-85 -147.08 20.79 0.04 OUTLIER Pre-proline 0 CA--C 1.55 0.98 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 -165.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -75.5 -21.64 14.74 Favored 'Trans proline' 0 C--N 1.352 0.754 0 CA-C-N 122.478 1.921 . . . . 0.0 114.304 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.57 159.02 47.6 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 125.747 1.619 . . . . 0.0 113.611 -168.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.38 -178.33 3.59 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 123.147 2.565 . . . . 0.0 110.489 167.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mp -55.44 -17.46 5.15 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.11 1.364 . . . . 0.0 114.101 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.17 -21.49 65.12 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.474 1.909 . . . . 0.0 114.973 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.8 p -64.7 145.09 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 120.372 1.442 . . . . 0.0 111.326 173.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -164.46 176.02 9.4 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 124.751 1.22 . . . . 0.0 110.3 -175.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.09 -30.19 64.12 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 117.666 -1.159 . . . . 0.0 113.249 -169.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 p -64.13 -33.29 75.45 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 121.446 1.93 . . . . 0.0 114.422 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -81.52 -42.44 20.2 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 125.888 1.675 . . . . 0.0 108.222 -176.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.66 -36.43 83.8 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.479 -1.237 . . . . 0.0 109.994 169.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -62.53 -41.59 98.97 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 119.978 -1.701 . . . . 0.0 112.134 173.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -59.73 -40.5 88.24 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 172.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.3 mt -83.8 -42.09 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -175.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.455 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 35.8 m-85 -103.54 -25.8 13.07 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.288 1.835 . . . . 0.0 113.735 -169.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -48.92 -34.7 16.24 Favored Glycine 0 CA--C 1.544 1.898 0 CA-C-O 117.589 -1.673 . . . . 0.0 114.846 171.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.01 -26.14 81.58 Favored 'Trans proline' 0 C--N 1.359 1.114 0 CA-C-N 121.42 2.61 . . . . 0.0 114.966 171.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 3.4 m-30 -74.29 -40.42 62.29 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.155 0.888 . . . . 0.0 111.035 -178.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.34 -76.72 0.37 Allowed Glycine 0 CA--C 1.529 0.958 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.515 169.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -78.77 159.22 28.02 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.416 2.744 . . . . 0.0 111.706 175.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 48.4 mtp -150.87 55.8 0.9 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.39 2.276 . . . . 0.0 108.003 168.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.414 ' HB3' ' HA ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -48.59 -31.65 6.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 113.121 -1.854 . . . . 0.0 112.457 -174.521 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -158.27 159.47 36.02 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.79 0.805 . . . . 0.0 112.413 171.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.7 t -151.59 80.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 -168.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 119.6 17.81 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 175.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 58.4 mt -129.22 126.75 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.829 1.195 . . . . 0.0 111.938 -173.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -135.53 -168.17 2.15 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 127.84 2.456 . . . . 0.0 110.034 -172.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -45.82 29.76 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.65 1 C-N-CA 134.828 5.251 . . . . 0.0 120.223 -172.086 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.24 13.5 8.27 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 127.169 2.319 . . . . 0.0 110.89 -166.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -129.88 146.21 51.6 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.226 0.611 . . . . 0.0 111.627 -168.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.93 129.98 26.61 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 125.077 1.351 . . . . 0.0 109.38 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.48 78.64 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.7 t -70.79 161.2 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 113.428 -1.714 . . . . 0.0 107.849 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -152.01 148.31 27.56 Favored 'General case' 0 C--O 1.244 0.803 0 O-C-N 121.263 -0.898 . . . . 0.0 109.418 -170.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 59' ' ' LYS . 21.6 m-85 -127.55 166.57 17.75 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.134 1.374 . . . . 0.0 113.013 -177.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -113.04 17.03 19.13 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.795 1.638 . . . . 0.0 110.243 167.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -139.91 99.26 3.65 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 128.094 2.558 . . . . 0.0 108.165 -171.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.22 -27.5 67.23 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.585 -0.697 . . . . 0.0 112.829 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -65.85 -26.75 67.79 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.492 -0.755 . . . . 0.0 112.527 171.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.461 ' HA ' ' CE ' ' A' ' 80' ' ' LYS . 8.5 t -74.1 -36.09 64.23 Favored 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 121.108 -0.995 . . . . 0.0 112.083 170.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.44 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 119.569 1.077 . . . . 0.0 110.454 172.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.84 -51.0 55.48 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.254 1.022 . . . . 0.0 112.835 172.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.461 ' CE ' ' HA ' ' A' ' 77' ' ' SER . 1.8 ptpt -70.14 -40.36 74.84 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.62 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.61 -42.79 83.97 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 118.943 0.792 . . . . 0.0 109.619 176.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.1 mt -56.57 -59.62 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.962 0.905 . . . . 0.0 110.263 173.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -62.69 -28.09 69.7 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -177.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.52 -42.81 58.26 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.515 1.526 . . . . 0.0 112.592 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.8 p -155.58 6.1 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -165.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -68.9 120.29 14.56 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 119.324 -2.11 . . . . 0.0 111.814 168.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.05 -5.63 81.7 Favored Glycine 0 N--CA 1.473 1.144 0 C-N-CA 124.932 1.254 . . . . 0.0 112.429 170.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -73.74 136.77 43.7 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 127.668 2.387 . . . . 0.0 108.26 168.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.0 p -77.47 100.54 6.06 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.954 1.302 . . . . 0.0 111.115 -178.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -94.82 146.68 24.03 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.625 -0.672 . . . . 0.0 110.534 171.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.99 -61.32 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 127.14 2.176 . . . . 0.0 114.996 -176.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -155.31 -2.81 0.15 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.322 1.849 . . . . 0.0 114.585 170.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -159.89 163.05 23.54 Favored Pre-proline 0 CA--C 1.55 0.961 0 CA-C-N 120.541 1.519 . . . . 0.0 111.827 -172.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -81.39 167.02 17.69 Favored 'Trans proline' 0 C--N 1.348 0.505 0 N-CA-C 118.043 2.286 . . . . 0.0 118.043 -169.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mp -102.85 144.81 30.69 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 130.067 3.347 . . . . 0.0 112.267 -173.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -119.32 50.68 1.21 Allowed 'General case' 0 N--CA 1.481 1.113 0 CA-C-O 124.795 2.236 . . . . 0.0 110.26 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.04 105.02 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 C-N-CA 126.612 1.965 . . . . 0.0 108.301 174.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.554 ' CG1' ' H ' ' A' ' 99' ' ' TYR 0.301 0.8 OUTLIER -153.27 -127.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.532 0 C-N-CA 117.572 -1.651 . . . . 0.0 114.664 -165.712 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.554 ' H ' ' CG1' ' A' ' 98' ' ' VAL . 12.8 m-85 -115.21 18.01 16.38 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 127.611 2.364 . . . . 0.0 110.526 173.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.487 1.378 0 C-N-CA 130.735 3.614 . . . . 0.0 118.329 -171.697 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.501 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 26.6 m-20 49.84 11.69 0.06 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 129.828 3.251 . . . . 0.0 117.78 177.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.3 p -150.27 25.55 0.8 Allowed 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -166.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -138.73 127.92 24.14 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 -166.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.445 ' HA ' ' H ' ' A' ' 98' ' ' VAL . 0.1 OUTLIER -100.69 104.43 15.72 Favored 'General case' 0 N--CA 1.443 -0.805 0 O-C-N 120.941 -1.099 . . . . 0.0 110.172 -170.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -98.28 103.1 15.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 123.941 1.829 . . . . 0.0 110.059 -172.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -138.14 127.64 33.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 122.774 1.273 . . . . 0.0 109.139 -167.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.97 22.28 0.04 OUTLIER Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 -167.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -70.02 -36.8 9.47 Favored 'Trans proline' 0 C--N 1.353 0.78 0 CA-C-N 121.997 1.749 . . . . 0.0 113.392 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -73.36 155.92 89.39 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 126.751 2.02 . . . . 0.0 114.258 -168.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -75.12 -173.64 1.66 Allowed 'Trans proline' 0 CA--C 1.549 1.227 0 C-N-CA 123.429 2.752 . . . . 0.0 110.544 166.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 mp -53.82 -18.02 2.9 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.724 1.61 . . . . 0.0 114.237 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.55 -23.05 66.79 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.802 2.041 . . . . 0.0 115.147 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.5 p -65.89 138.73 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 CA-C-N 120.519 1.509 . . . . 0.0 112.036 174.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -142.06 174.29 10.74 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.845 1.258 . . . . 0.0 109.731 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -59.7 -20.67 57.85 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 120.952 -1.093 . . . . 0.0 113.765 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -67.98 -35.25 78.03 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.086 1.354 . . . . 0.0 113.955 169.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -82.22 -39.4 23.14 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.331 1.453 . . . . 0.0 107.835 -177.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.1 mt -66.91 -29.96 69.98 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.368 169.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -61.68 -43.82 98.13 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 120.261 -1.524 . . . . 0.0 111.715 168.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -60.08 -34.39 73.39 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 170.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.0 mt -85.12 -40.77 15.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 123.635 0.774 . . . . 0.0 112.524 -174.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.412 ' HA ' ' CD2' ' A' ' 55' ' ' PHE . 69.7 m-85 -109.3 -22.65 11.96 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.658 1.583 . . . . 0.0 114.598 -169.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.04 -32.58 35.29 Favored Glycine 0 CA--C 1.541 1.66 0 CA-C-O 117.346 -1.808 . . . . 0.0 115.455 169.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -60.53 -24.39 78.02 Favored 'Trans proline' 0 C--N 1.361 1.2 0 CA-C-N 121.552 2.676 . . . . 0.0 114.574 173.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.412 ' CD2' ' HA ' ' A' ' 52' ' ' PHE . 3.4 m-85 -91.9 -45.04 8.57 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.643 1.177 . . . . 0.0 110.834 -177.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 129.43 -74.59 0.44 Allowed Glycine 0 CA--C 1.532 1.103 0 N-CA-C 117.337 1.695 . . . . 0.0 117.337 166.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -82.43 39.09 0.8 Allowed 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 123.771 2.98 . . . . 0.0 116.209 -165.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.04 97.59 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 125.366 1.466 . . . . 0.0 110.214 167.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.27 -24.0 10.91 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.181 1.792 . . . . 0.0 112.966 -167.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -142.46 156.96 45.22 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.348 1.059 . . . . 0.0 109.825 166.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 t -154.99 71.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 126.28 1.832 . . . . 0.0 107.756 -165.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -69.71 126.65 30.37 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 171.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 48.6 mt -128.52 123.27 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.915 0.886 . . . . 0.0 110.542 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -115.65 179.32 4.0 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 128.799 2.839 . . . . 0.0 109.028 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -57.03 47.51 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 130.1 3.36 . . . . 0.0 117.412 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.18 5.27 15.11 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 126.575 2.035 . . . . 0.0 113.492 -169.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -127.48 148.23 50.31 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.331 1.565 . . . . 0.0 110.584 -174.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -142.33 134.11 26.98 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 124.685 1.194 . . . . 0.0 109.795 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -129.11 81.77 2.04 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 -178.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.3 t -78.08 155.24 5.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 112.999 -1.909 . . . . 0.0 106.438 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -150.69 146.76 26.67 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 120.753 -1.217 . . . . 0.0 110.156 -166.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -133.11 168.88 17.71 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -173.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -95.98 -11.06 27.11 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -170.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.3 144.32 21.88 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.132 1.373 . . . . 0.0 110.276 -177.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.46 -16.39 64.19 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -170.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -51.4 -45.12 62.41 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.284 1.433 . . . . 0.0 113.967 168.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.1 p -67.31 -44.09 80.02 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 124.98 1.312 . . . . 0.0 112.0 -175.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.69 -49.42 73.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 117.904 -1.046 . . . . 0.0 110.911 170.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.33 -49.82 60.62 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 119.686 1.13 . . . . 0.0 111.897 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -44.5 76.51 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-O 118.169 -0.92 . . . . 0.0 112.84 175.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.25 85.67 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 119.671 1.123 . . . . 0.0 110.571 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.6 mt -54.6 -59.91 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 125.038 1.335 . . . . 0.0 110.596 171.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.42 -33.33 69.56 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -79.76 -39.03 31.9 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.631 1.572 . . . . 0.0 113.674 -174.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.6 p -149.2 1.61 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -166.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -73.45 130.09 39.37 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 119.575 -1.953 . . . . 0.0 111.395 168.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.72 -9.17 72.52 Favored Glycine 0 N--CA 1.472 1.079 0 C-N-CA 125.316 1.436 . . . . 0.0 111.73 172.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -76.82 136.95 38.95 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 127.7 2.4 . . . . 0.0 108.973 169.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.2 p -83.75 110.04 17.99 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 125.64 1.576 . . . . 0.0 111.921 -171.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -106.93 144.44 33.56 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 122.005 -0.434 . . . . 0.0 109.924 172.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 53.85 -60.87 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 128.099 2.56 . . . . 0.0 116.299 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -156.6 -5.31 0.11 Allowed 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 126.571 1.949 . . . . 0.0 113.685 -175.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -161.09 165.01 17.85 Favored Pre-proline 0 N--CA 1.476 0.848 0 CA-C-N 120.192 1.36 . . . . 0.0 112.479 177.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -75.09 152.77 40.76 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 N-CA-C 116.478 1.684 . . . . 0.0 116.478 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.8 141.58 31.27 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 129.87 3.268 . . . . 0.0 112.291 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -115.15 50.91 0.95 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 125.898 2.761 . . . . 0.0 109.742 -178.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.18 104.21 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.505 -0.755 0 C-N-CA 127.584 2.354 . . . . 0.0 106.733 -177.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.51 HG11 ' H ' ' A' ' 99' ' ' TYR 0.3 1.1 p -153.76 -128.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.259 0 C-N-CA 116.754 -1.978 . . . . 0.0 114.592 -164.016 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.51 ' H ' HG11 ' A' ' 98' ' ' VAL . 13.0 m-30 -109.58 16.02 22.48 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 127.661 2.384 . . . . 0.0 110.041 168.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . 0.345 31.3 t . . . . . 0 CA--C 1.549 0.925 0 C-N-CA 131.605 3.962 . . . . 0.0 120.118 -170.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.4 m . . . . . 0 N--CA 1.465 0.285 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 64.27 -15.85 0.08 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.612 2.365 . . . . 0.0 115.886 -177.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.401 ' HA ' ' CB ' ' A' ' 78' ' ' ALA . 49.4 p -138.45 32.16 2.31 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 119.054 2.983 . . . . 0.0 119.054 -165.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.534 ' HE ' ' CD ' ' A' ' 71' ' ' GLU . 6.1 mpt_? -132.92 135.53 45.61 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 121.293 1.861 . . . . 0.0 113.087 -174.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.427 ' HA ' ' H ' ' A' ' 98' ' ' VAL . 0.2 OUTLIER -114.05 125.74 54.33 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 119.951 -1.718 . . . . 0.0 112.911 -168.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -112.64 109.31 18.77 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 124.233 1.968 . . . . 0.0 105.943 -167.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.297 6.8 t -135.1 100.11 2.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 112.876 -1.965 . . . . 0.0 107.348 -159.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.79 7.73 0.03 OUTLIER Pre-proline 0 CA--C 1.551 1.003 0 N-CA-C 119.952 3.315 . . . . 0.0 119.952 -165.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -53.06 -41.91 68.45 Favored 'Trans proline' 0 C--N 1.356 0.963 0 CA-C-N 123.642 2.336 . . . . 0.0 114.843 170.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.88 154.49 94.64 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 126.53 1.932 . . . . 0.0 112.231 -170.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -78.13 -167.49 0.5 Allowed 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 121.597 1.532 . . . . 0.0 110.076 165.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mp -52.47 -14.23 0.46 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.012 1.725 . . . . 0.0 114.836 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -58.42 -33.2 69.42 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.173 2.189 . . . . 0.0 115.558 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -68.35 139.7 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 120.24 1.382 . . . . 0.0 111.967 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -143.16 175.57 9.77 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.817 1.247 . . . . 0.0 110.182 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -53.32 -32.36 48.57 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-O 118.131 -0.938 . . . . 0.0 112.836 176.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.9 p -65.96 -34.27 77.71 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.773 1.624 . . . . 0.0 114.289 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -80.65 -39.65 26.95 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.361 1.064 . . . . 0.0 108.734 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.8 mt -62.85 -39.16 93.53 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.694 168.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.05 -39.98 91.91 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.126 1.33 . . . . 0.0 112.052 174.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -62.21 -42.59 99.44 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 171.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 82.1 mt -80.55 -36.88 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.162 0.985 . . . . 0.0 112.947 -174.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.454 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 47.7 m-85 -106.28 -21.0 13.22 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.662 1.985 . . . . 0.0 114.006 -169.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -48.31 -33.11 10.69 Favored Glycine 0 CA--C 1.543 1.832 0 CA-C-O 117.218 -1.879 . . . . 0.0 115.0 169.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -63.0 -22.85 73.99 Favored 'Trans proline' 0 CA--C 1.546 1.094 0 CA-C-N 121.851 2.826 . . . . 0.0 114.433 172.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.454 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.9 m-30 -87.75 -40.83 13.76 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.352 1.061 . . . . 0.0 111.059 -173.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.62 -88.37 0.26 Allowed Glycine 0 CA--C 1.535 1.303 0 N-CA-C 118.491 2.156 . . . . 0.0 118.491 165.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -63.24 -35.57 62.41 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 N-CA-C 118.099 2.307 . . . . 0.0 118.099 -165.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.9 mtp 31.55 50.88 0.15 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 127.34 2.256 . . . . 0.0 114.448 -170.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -25.82 52.66 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 126.997 2.119 . . . . 0.0 113.42 -173.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -152.17 156.51 39.94 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.067 0.461 . . . . 0.0 112.028 169.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 t -154.35 68.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.322 0 C-N-CA 125.177 1.391 . . . . 0.0 108.202 -171.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -66.52 122.44 17.57 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.137 -0.977 . . . . 0.0 108.447 177.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.6 mm -113.69 124.37 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.46 1.104 . . . . 0.0 110.329 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mp -132.56 177.9 7.25 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.777 2.431 . . . . 0.0 109.863 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -58.23 49.66 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 130.305 3.442 . . . . 0.0 117.725 -169.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.01 3.18 18.07 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.985 1.755 . . . . 0.0 113.148 -169.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -132.74 140.96 48.3 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 118.267 1.034 . . . . 0.0 110.831 -171.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.04 135.66 53.74 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 126.4 1.88 . . . . 0.0 107.585 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -128.76 83.89 2.19 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 177.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -79.22 166.44 2.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 113.299 -1.773 . . . . 0.0 108.342 -176.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.534 ' CD ' ' HE ' ' A' ' 33' ' ' ARG . 26.3 tt0 -160.22 154.74 23.83 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.14 -0.975 . . . . 0.0 110.938 -171.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.483 ' CG ' ' HB2' ' A' ' 77' ' ' SER . 25.9 m-85 -132.45 165.53 24.09 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 113.703 -1.589 . . . . 0.0 111.437 169.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -98.71 2.77 47.39 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.21 149.97 42.08 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.159 1.384 . . . . 0.0 111.617 -177.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.81 -23.01 59.61 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -177.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -58.97 -52.67 64.74 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.588 1.086 . . . . 0.0 113.798 174.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.483 ' HB2' ' CG ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -56.36 -46.79 79.84 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 126.55 1.94 . . . . 0.0 112.122 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.401 ' CB ' ' HA ' ' A' ' 32' ' ' THR . . . -68.83 -47.47 65.95 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 175.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.62 -46.42 77.38 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.411 1.085 . . . . 0.0 112.016 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.2 -39.33 78.71 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-O 117.844 -1.075 . . . . 0.0 112.72 173.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.99 -46.0 78.83 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.468 1.031 . . . . 0.0 110.303 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.9 mt -52.82 -59.25 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.57 0 C-N-CA 124.35 1.06 . . . . 0.0 109.99 172.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -63.32 -25.22 68.21 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.06 -35.0 29.19 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.861 1.665 . . . . 0.0 113.401 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.95 -12.33 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.856 1.799 . . . . 0.0 115.856 -168.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -63.42 119.69 10.21 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 119.44 -2.037 . . . . 0.0 110.777 168.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.05 2.9 58.07 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 123.614 0.626 . . . . 0.0 112.211 171.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -96.64 132.51 42.21 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 126.585 1.954 . . . . 0.0 108.464 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.7 p -79.6 96.75 6.25 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 124.744 1.218 . . . . 0.0 113.267 -169.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -95.14 142.01 28.09 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.997 -0.439 . . . . 0.0 111.096 170.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 55.09 -59.97 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 128.574 2.75 . . . . 0.0 117.11 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -151.57 -10.23 0.21 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 126.872 2.069 . . . . 0.0 114.227 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -158.88 164.19 21.83 Favored Pre-proline 0 N--CA 1.475 0.817 0 CA-C-N 119.432 1.015 . . . . 0.0 111.311 -171.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.78 151.62 31.93 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 121.016 1.144 . . . . 0.0 114.754 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -69.92 154.25 42.2 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 113.683 -1.599 . . . . 0.0 111.728 169.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -129.07 49.68 2.21 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 125.545 2.593 . . . . 0.0 109.554 -171.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 50.8 t -72.28 106.29 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 129.086 2.954 . . . . 0.0 107.192 -173.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.602 ' CG1' ' H ' ' A' ' 99' ' ' TYR 0.282 1.9 p -157.31 -114.39 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 121.43 1.923 . . . . 0.0 114.816 -162.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.602 ' H ' ' CG1' ' A' ' 98' ' ' VAL . 7.8 m-30 -117.28 11.39 14.02 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.884 2.474 . . . . 0.0 112.121 173.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.411 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 18.1 m . . . . . 0 N--CA 1.479 1.003 2 C-N-CA 133.856 4.862 . . . . 0.0 122.224 -175.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.1 m . . . . . 0 CA--C 1.537 0.454 0 CA-C-O 121.25 0.548 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.488 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 1.9 m-20 61.53 10.65 3.35 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 128.718 2.807 . . . . 0.0 115.029 172.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.1 p -151.8 20.66 0.7 Allowed 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 -164.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.452 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 92.7 mtt180 -134.52 139.04 45.15 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 122.273 2.306 . . . . 0.0 115.857 -164.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.436 ' HA ' ' H ' ' A' ' 98' ' ' VAL . 0.1 OUTLIER -117.22 109.04 16.39 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 120.2 -1.563 . . . . 0.0 113.649 -167.636 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -102.14 98.89 8.99 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-O 123.725 1.726 . . . . 0.0 109.124 -169.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.7 127.29 58.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 122.853 1.311 . . . . 0.0 107.818 -170.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.6 ptt-85 -147.35 11.41 0.02 OUTLIER Pre-proline 0 CA--C 1.554 1.126 0 N-CA-C 119.698 3.222 . . . . 0.0 119.698 -163.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -54.45 -42.46 67.66 Favored 'Trans proline' 0 C--N 1.356 0.923 0 CA-C-N 123.444 2.266 . . . . 0.0 115.105 172.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.59 137.69 58.9 Favored Pre-proline 0 N--CA 1.448 -0.57 0 C-N-CA 126.839 2.055 . . . . 0.0 113.484 -168.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -65.65 -167.48 0.11 Allowed 'Trans proline' 0 CA--C 1.556 1.615 0 C-N-CA 123.16 2.573 . . . . 0.0 110.991 163.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.7 mp -61.98 -4.9 1.8 Allowed 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -175.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -69.9 -11.49 60.91 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 174.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 p -79.8 146.9 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 119.674 1.124 . . . . 0.0 110.847 169.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -161.73 -169.45 2.25 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.626 1.17 . . . . 0.0 110.784 168.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.68 -36.58 57.3 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -169.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -64.36 -29.73 70.8 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 121.411 1.914 . . . . 0.0 114.34 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -85.14 -41.02 16.08 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 125.095 1.358 . . . . 0.0 108.832 -176.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.67 -39.95 95.54 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.296 169.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -58.23 -44.5 88.26 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 120.789 -1.194 . . . . 0.0 112.066 171.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -60.14 -36.48 77.6 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 173.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.9 mt -84.07 -42.63 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 124.585 1.154 . . . . 0.0 112.659 -175.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.418 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 66.9 m-85 -101.8 -31.75 10.6 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.482 1.913 . . . . 0.0 114.248 -171.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.04 -34.52 23.96 Favored Glycine 0 CA--C 1.544 1.88 0 CA-C-O 117.274 -1.848 . . . . 0.0 114.877 174.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -59.15 -25.76 79.24 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 CA-C-N 121.816 2.808 . . . . 0.0 114.779 172.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 4.9 m-85 -81.15 -28.24 35.13 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.075 1.35 . . . . 0.0 112.442 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.79 -83.56 0.31 Allowed Glycine 0 CA--C 1.534 1.271 0 C-N-CA 123.887 0.756 . . . . 0.0 113.095 172.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -81.36 166.03 18.35 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.586 2.858 . . . . 0.0 113.253 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mtp -155.11 97.27 1.91 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 129.64 3.176 . . . . 0.0 104.772 166.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.5 -23.06 15.69 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 125.483 1.513 . . . . 0.0 111.847 -168.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.43 156.82 32.84 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.952 1.701 . . . . 0.0 110.188 167.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 t -155.76 78.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 125.494 1.518 . . . . 0.0 107.695 -166.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.73 122.38 24.64 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 174.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.5 mt -130.41 123.86 56.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.315 1.046 . . . . 0.0 110.004 -174.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.97 -175.13 3.68 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 127.637 2.375 . . . . 0.0 110.066 -169.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -52.21 46.07 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.33 1 C-N-CA 132.417 4.287 . . . . 0.0 118.206 -173.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.72 24.37 9.31 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 126.373 1.939 . . . . 0.0 112.589 -168.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -136.19 148.75 48.28 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.83 0.852 . . . . 0.0 111.019 -177.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.04 136.19 35.02 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.615 1.166 . . . . 0.0 109.5 169.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -126.45 82.64 2.09 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 126.429 1.891 . . . . 0.0 106.023 174.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.407 HG22 ' CE2' ' A' ' 52' ' ' PHE . 1.8 t -75.57 164.02 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 113.192 -1.822 . . . . 0.0 108.259 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -155.66 145.13 21.02 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 120.95 -1.094 . . . . 0.0 108.965 -168.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -127.61 171.34 11.74 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.999 1.32 . . . . 0.0 111.937 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -109.11 10.02 26.09 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.202 1.001 . . . . 0.0 113.019 173.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -131.67 111.41 11.66 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.144 2.178 . . . . 0.0 108.617 -173.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.55 -30.39 69.74 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 120.283 -1.511 . . . . 0.0 113.019 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -65.81 -24.38 66.9 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.384 1.074 . . . . 0.0 113.327 172.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.9 p -76.16 -38.27 56.9 Favored 'General case' 0 CA--C 1.516 -0.334 0 O-C-N 121.387 -0.821 . . . . 0.0 111.509 178.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.85 -44.14 81.79 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.638 167.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.75 -51.72 54.09 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.688 1.131 . . . . 0.0 112.097 177.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -42.86 84.6 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 118.133 -0.937 . . . . 0.0 112.472 174.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.11 79.28 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.437 1.017 . . . . 0.0 110.633 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.2 mt -56.54 -61.12 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.448 0 C-N-CA 125.002 1.321 . . . . 0.0 110.028 172.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -60.96 -30.48 70.27 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -176.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -71.92 -43.83 64.67 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.962 1.705 . . . . 0.0 113.184 -177.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.413 ' CA ' ' HE2' ' A' ' 88' ' ' LYS . 8.6 p -150.08 4.21 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 -166.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -70.45 123.9 22.89 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 119.388 -2.07 . . . . 0.0 111.097 168.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.46 -10.11 72.93 Favored Glycine 0 N--CA 1.471 1.024 0 C-N-CA 125.711 1.624 . . . . 0.0 112.147 173.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.413 ' HE2' ' CA ' ' A' ' 85' ' ' VAL . 2.2 mppt? -75.34 142.61 43.15 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 127.489 2.315 . . . . 0.0 108.064 168.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 49.5 m -92.9 127.85 38.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.812 0.815 . . . . 0.0 111.953 -174.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -114.82 147.65 39.55 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.68 171.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 55.48 -59.45 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 127.69 2.396 . . . . 0.0 115.73 -174.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -156.54 -6.95 0.1 Allowed 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 127.127 2.171 . . . . 0.0 114.613 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -163.01 165.37 14.91 Favored Pre-proline 0 N--CA 1.482 1.152 0 CA-C-N 119.816 1.189 . . . . 0.0 111.69 -169.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 89' ' ' SER . 60.9 Cg_endo -82.4 161.12 17.3 Favored 'Trans proline' 0 C--N 1.345 0.346 0 N-CA-C 118.301 2.385 . . . . 0.0 118.301 -171.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.21 139.82 31.81 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 130.001 3.32 . . . . 0.0 111.482 -176.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -115.76 48.71 1.18 Allowed 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 124.693 2.187 . . . . 0.0 109.02 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.1 t -62.34 109.39 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 C-N-CA 125.975 1.71 . . . . 0.0 108.005 174.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.478 HG12 ' H ' ' A' ' 99' ' ' TYR 0.297 0.5 OUTLIER -156.1 -136.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 N-CA-C 117.539 2.422 . . . . 0.0 117.539 -164.658 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.488 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 16.0 m-30 -105.99 49.26 0.81 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.287 2.235 . . . . 0.0 105.91 165.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.452 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 25.2 m . . . . . 0 N--CA 1.476 0.834 0 C-N-CA 126.395 1.878 . . . . 0.0 113.54 -171.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.13 -24.34 0.07 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 127.067 2.147 . . . . 0.0 116.139 -177.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.3 p -140.26 44.74 1.87 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 116.768 2.136 . . . . 0.0 116.768 -166.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -136.55 123.5 21.44 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 123.504 1.621 . . . . 0.0 114.999 176.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.31 105.04 16.54 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 120.839 -1.163 . . . . 0.0 110.368 -171.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.407 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 4.4 t80 -92.81 97.62 10.88 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 125.349 2.5 . . . . 0.0 106.821 -172.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.286 40.2 t -126.53 91.72 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 111.627 -2.533 . . . . 0.0 107.213 -160.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.4 ptt85 -125.79 14.83 0.06 OUTLIER Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 118.419 2.748 . . . . 0.0 118.419 -166.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -71.9 -32.13 11.72 Favored 'Trans proline' 0 C--N 1.351 0.673 0 CA-C-N 122.437 1.906 . . . . 0.0 113.042 -177.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -79.9 157.67 73.69 Favored Pre-proline 0 C--N 1.323 -0.565 0 C-N-CA 125.918 1.687 . . . . 0.0 112.613 -169.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -81.83 -159.35 0.11 Allowed 'Trans proline' 0 CA--C 1.548 1.206 0 C-N-CA 122.446 2.097 . . . . 0.0 110.177 165.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -52.35 -22.89 5.05 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.356 1.463 . . . . 0.0 113.741 174.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -71.28 31.28 0.05 OUTLIER 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 127.878 2.471 . . . . 0.0 115.245 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.9 p -128.67 139.79 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.238 1.415 . . . . 0.0 111.265 168.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -149.34 169.72 20.17 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.123 1.369 . . . . 0.0 109.338 -169.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -30.24 56.84 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -64.39 -33.15 75.18 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.145 -1.597 . . . . 0.0 114.568 172.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -81.96 -40.03 22.83 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 120.269 -1.519 . . . . 0.0 109.208 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.7 mt -65.49 -33.54 76.17 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.693 171.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -62.82 -44.76 95.3 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 119.784 -1.822 . . . . 0.0 111.84 169.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -58.28 -37.53 75.19 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.3 mt -91.98 -34.54 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.056 0.942 . . . . 0.0 112.892 -172.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.425 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 30.0 m-85 -107.76 -18.96 13.69 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.571 1.548 . . . . 0.0 113.581 -172.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.11 -33.13 29.49 Favored Glycine 0 CA--C 1.541 1.697 0 CA-C-O 117.688 -1.618 . . . . 0.0 114.643 168.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -62.32 -25.0 76.25 Favored 'Trans proline' 0 C--N 1.358 1.077 0 CA-C-N 121.538 2.669 . . . . 0.0 114.51 171.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.9 m-30 -84.5 -49.82 8.29 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.553 0.741 . . . . 0.0 111.312 -175.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.71 -73.1 0.29 Allowed Glycine 0 CA--C 1.54 1.602 0 CA-C-O 118.265 -1.297 . . . . 0.0 115.398 169.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -68.16 32.56 0.15 Allowed 'Trans proline' 0 CA--C 1.548 1.201 0 C-N-CA 124.498 3.466 . . . . 0.0 118.706 -173.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.4 ptm -57.18 69.3 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 127.742 2.417 . . . . 0.0 114.369 170.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -36.93 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 130.219 3.408 . . . . 0.0 112.996 -178.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -147.77 156.39 42.69 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 121.934 0.873 . . . . 0.0 110.65 173.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t -150.3 72.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 -168.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -71.1 111.02 6.13 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.859 -1.164 . . . . 0.0 107.859 -174.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.6 mt -120.1 123.14 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.375 1.07 . . . . 0.0 111.985 -168.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.0 mp -132.79 -178.72 5.07 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 129.004 2.921 . . . . 0.0 109.648 -171.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -56.53 50.56 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 130.898 3.679 . . . . 0.0 117.978 -171.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.75 13.75 17.55 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.255 1.407 . . . . 0.0 113.105 -169.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -134.24 144.56 48.48 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.835 0.826 . . . . 0.0 111.659 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -128.79 131.63 47.81 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 126.66 1.984 . . . . 0.0 107.059 169.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -122.74 82.4 1.98 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 172.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.7 t -68.94 158.2 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.11 -1.404 . . . . 0.0 107.784 175.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -154.62 142.04 19.65 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 120.964 -1.085 . . . . 0.0 108.443 -168.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -124.75 163.79 21.35 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.776 0.673 . . . . 0.0 111.897 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -102.95 7.28 39.21 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.774 0.83 . . . . 0.0 112.641 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -148.02 137.51 22.31 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.395 1.478 . . . . 0.0 110.133 -168.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.05 -29.54 49.35 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 116.463 2.024 . . . . 0.0 116.463 -169.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.1 -32.44 73.59 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 120.458 1.481 . . . . 0.0 112.026 175.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.1 p -59.39 -40.9 88.03 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.825 0.85 . . . . 0.0 112.17 174.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.83 -45.86 56.14 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.508 -0.758 . . . . 0.0 111.03 175.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.52 -47.17 63.4 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 123.76 0.824 . . . . 0.0 111.849 174.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -69.68 -41.72 75.08 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-O 117.574 -1.203 . . . . 0.0 112.481 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.26 -44.67 84.12 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.08 1.309 . . . . 0.0 110.402 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.4 mt -53.73 -59.64 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 124.624 1.17 . . . . 0.0 110.398 172.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -63.97 -25.77 68.28 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -75.89 -41.19 52.77 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.606 1.563 . . . . 0.0 112.574 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.8 p -149.58 -0.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -166.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -67.32 120.13 13.33 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 119.359 -2.088 . . . . 0.0 112.556 169.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.35 -2.62 87.48 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.824 1.202 . . . . 0.0 112.176 172.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.68 143.39 40.09 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.787 2.035 . . . . 0.0 107.753 169.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.9 p -91.55 102.64 15.29 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.594 1.158 . . . . 0.0 112.581 -169.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -100.5 141.9 32.72 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.702 -0.624 . . . . 0.0 111.866 173.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 53.21 -56.46 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 129.271 3.028 . . . . 0.0 117.039 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -152.63 -10.38 0.18 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.735 2.014 . . . . 0.0 114.123 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -157.4 161.94 28.31 Favored Pre-proline 0 N--CA 1.474 0.728 0 CA-C-N 119.613 1.097 . . . . 0.0 111.988 -171.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.39 149.16 27.32 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 121.132 1.221 . . . . 0.0 114.702 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -70.23 161.59 30.02 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.05 2.14 . . . . 0.0 113.714 173.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -130.61 48.89 2.36 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 124.835 2.255 . . . . 0.0 109.662 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.26 98.08 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 127.778 2.431 . . . . 0.0 106.682 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.672 ' CG1' ' H ' ' A' ' 99' ' ' TYR 0.278 1.5 p -157.12 -112.88 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 121.267 1.849 . . . . 0.0 112.958 -163.688 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.672 ' H ' ' CG1' ' A' ' 98' ' ' VAL . 5.4 m-85 -119.61 12.18 12.22 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 128.798 2.839 . . . . 0.0 110.624 174.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.407 ' CB ' ' HB2' ' A' ' 35' ' ' PHE 0.37 28.9 t . . . . . 0 CA--C 1.545 0.773 0 C-N-CA 129.837 3.255 . . . . 0.0 118.281 -175.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 m . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.458 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.8 OUTLIER 55.29 6.15 0.15 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.653 1.981 . . . . 0.0 115.608 -168.535 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.3 p -149.64 16.33 0.89 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 118.016 2.599 . . . . 0.0 118.016 -162.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.1 mtt85 -137.5 127.86 26.43 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 125.469 2.557 . . . . 0.0 116.696 -166.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.474 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -100.25 97.19 8.01 Favored 'General case' 0 N--CA 1.426 -1.656 0 CA-C-N 113.174 -1.83 . . . . 0.0 110.7 -168.319 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -92.98 94.9 9.16 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 124.318 2.008 . . . . 0.0 110.067 -169.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -124.97 127.31 72.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 123.504 1.621 . . . . 0.0 108.363 -173.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.3 ptt85 -154.24 27.7 0.04 OUTLIER Pre-proline 0 CA--C 1.547 0.85 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -163.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.61 -30.32 6.45 Favored 'Trans proline' 0 C--N 1.354 0.828 0 CA-C-N 121.682 1.637 . . . . 0.0 112.669 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.02 163.75 66.12 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 126.075 1.75 . . . . 0.0 113.643 -168.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -84.54 -163.18 0.18 Allowed 'Trans proline' 0 CA--C 1.55 1.305 0 C-N-CA 123.545 2.83 . . . . 0.0 109.206 165.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 mp -55.29 -18.91 7.14 Favored 'General case' 0 CA--C 1.553 1.076 0 O-C-N 120.317 -1.489 . . . . 0.0 114.098 175.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.69 -17.15 63.83 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.443 2.297 . . . . 0.0 115.951 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.82 143.93 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 122.153 2.251 . . . . 0.0 110.738 170.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.27 173.46 11.94 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.321 0.582 . . . . 0.0 111.233 171.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.55 -27.97 18.89 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 176.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.6 m -73.96 -29.91 62.25 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.788 1.235 . . . . 0.0 113.126 175.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -75.1 -42.0 57.5 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 123.245 1.498 . . . . 0.0 108.559 176.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.6 mt -67.88 -32.66 73.31 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 114.074 -1.421 . . . . 0.0 109.882 173.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.63 -42.05 98.21 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 119.891 -1.756 . . . . 0.0 112.244 170.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -60.65 -36.95 79.96 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 173.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.0 mt -91.4 -32.97 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.848 0.859 . . . . 0.0 113.101 -173.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -109.47 -16.19 14.05 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.65 1.98 . . . . 0.0 112.864 -171.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.18 -33.25 37.72 Favored Glycine 0 CA--C 1.544 1.891 0 CA-C-O 117.319 -1.823 . . . . 0.0 114.366 167.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.88 -28.67 86.75 Favored 'Trans proline' 0 C--N 1.353 0.809 0 CA-C-N 121.701 2.751 . . . . 0.0 113.843 170.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -79.71 -55.06 5.28 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.595 1.158 . . . . 0.0 108.867 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.74 -67.75 0.33 Allowed Glycine 0 CA--C 1.535 1.323 0 N-CA-C 117.502 1.761 . . . . 0.0 117.502 167.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -79.24 27.11 0.53 Allowed 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.986 3.124 . . . . 0.0 116.077 -166.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -42.5 97.16 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 126.24 1.816 . . . . 0.0 112.292 172.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.6 -30.62 16.26 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 128.24 2.616 . . . . 0.0 111.306 -169.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -143.45 156.18 44.57 Favored 'General case' 0 CA--C 1.513 -0.47 0 C-N-CA 123.818 0.847 . . . . 0.0 110.062 169.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.6 t -151.15 63.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 -167.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -71.01 110.57 5.78 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -172.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.1 mm -107.38 127.17 63.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.954 1.302 . . . . 0.0 109.588 -174.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.4 168.29 19.19 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 126.137 1.775 . . . . 0.0 108.667 176.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.67 96.27 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.937 1.295 . . . . 0.0 113.874 168.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.02 5.72 81.0 Favored Glycine 0 CA--C 1.536 1.353 0 N-CA-C 115.549 0.98 . . . . 0.0 115.549 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -130.16 148.97 52.06 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 118.661 1.23 . . . . 0.0 113.202 174.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.47 116.65 11.81 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 126.983 2.113 . . . . 0.0 107.798 172.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -109.68 82.54 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 175.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 t -70.1 159.92 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 114.217 -1.356 . . . . 0.0 107.417 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -157.66 153.31 26.53 Favored 'General case' 0 C--N 1.315 -0.927 0 O-C-N 120.779 -1.201 . . . . 0.0 109.219 -167.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.474 ' CE2' HD21 ' A' ' 34' ' ' LEU . 28.0 m-85 -129.36 168.21 16.6 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.852 1.261 . . . . 0.0 110.769 174.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -100.68 5.2 43.7 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 176.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.85 173.13 11.82 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.013 1.725 . . . . 0.0 110.86 170.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.81 -6.9 19.83 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 -171.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -72.91 -38.73 66.79 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.739 -1.226 . . . . 0.0 111.148 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.5 p -58.76 -46.85 86.53 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 126.872 2.069 . . . . 0.0 111.416 170.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.09 79.04 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.118 172.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.72 -49.51 65.26 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 119.142 0.883 . . . . 0.0 112.516 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.5 pttt -67.5 -43.35 81.1 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 118.064 -0.969 . . . . 0.0 113.257 175.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.54 -43.03 84.08 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.347 0.976 . . . . 0.0 109.89 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.0 mt -55.02 -60.41 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.25 0 C-N-CA 124.598 1.159 . . . . 0.0 110.205 173.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -62.3 -29.32 70.35 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.05 -41.97 73.48 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.038 1.335 . . . . 0.0 113.094 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.406 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 7.0 p -152.68 0.06 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -166.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -67.34 121.37 15.57 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 119.152 -2.218 . . . . 0.0 110.169 168.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.53 2.29 57.63 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.411 1.005 . . . . 0.0 112.409 172.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.406 ' HE2' ' HA ' ' A' ' 85' ' ' VAL . 5.6 mptt -96.06 130.46 43.07 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 127.149 2.18 . . . . 0.0 108.757 -178.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.3 p -74.53 101.39 4.16 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 125.974 1.71 . . . . 0.0 112.211 -171.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -103.85 145.72 29.7 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.559 -0.713 . . . . 0.0 110.419 171.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 55.73 -55.28 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 128.351 2.66 . . . . 0.0 116.952 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -154.41 -10.5 0.13 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.808 2.043 . . . . 0.0 114.242 174.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -159.59 162.85 24.5 Favored Pre-proline 0 N--CA 1.474 0.759 0 CA-C-N 120.311 1.414 . . . . 0.0 112.054 -170.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.54 150.7 36.24 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 N-CA-C 116.014 1.505 . . . . 0.0 116.014 -176.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.33 143.3 38.88 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 128.793 2.837 . . . . 0.0 112.741 177.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -118.9 48.47 1.46 Allowed 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 125.625 2.631 . . . . 0.0 109.62 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.32 103.93 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 CA-C-N 112.956 -1.929 . . . . 0.0 107.749 176.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.546 HG11 ' H ' ' A' ' 99' ' ' TYR 0.303 0.5 OUTLIER -153.03 -128.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 117.733 -1.587 . . . . 0.0 114.156 -165.038 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.546 ' H ' HG11 ' A' ' 98' ' ' VAL . 15.0 m-30 -111.65 24.15 13.07 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 127.534 2.334 . . . . 0.0 110.029 169.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . 0.293 29.3 t . . . . . 0 CA--C 1.537 0.46 0 C-N-CA 130.869 3.668 . . . . 0.0 119.304 -169.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.47 0.531 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.492 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 20.0 m-20 56.19 11.41 0.77 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 127.317 2.247 . . . . 0.0 114.888 -172.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.0 p -150.31 17.77 0.84 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 117.376 2.361 . . . . 0.0 117.376 -164.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -138.75 134.24 33.24 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 123.587 2.903 . . . . 0.0 117.279 -168.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.67 103.08 11.6 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 113.897 -1.501 . . . . 0.0 109.582 -169.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -88.11 100.95 13.34 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 128.218 2.607 . . . . 0.0 105.0 -174.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.4 t -134.1 98.45 2.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 113.673 -1.603 . . . . 0.0 109.037 -160.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -132.19 23.75 0.1 OUTLIER Pre-proline 0 CA--C 1.55 0.965 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 -172.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.29 -11.24 24.78 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 CA-C-N 122.162 1.808 . . . . 0.0 113.915 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -103.6 162.77 18.99 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 125.477 1.511 . . . . 0.0 113.241 -168.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.38 -171.73 1.3 Allowed 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 122.838 2.358 . . . . 0.0 111.463 167.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.42 HD21 ' H ' ' A' ' 41' ' ' LEU . 1.5 mm? -47.48 -28.64 2.27 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.583 1.953 . . . . 0.0 113.635 176.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.7 -14.81 62.6 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.153 1.781 . . . . 0.0 115.11 -172.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.09 144.85 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 120.425 1.466 . . . . 0.0 109.031 168.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -150.37 170.86 18.02 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 124.246 1.018 . . . . 0.0 109.25 -175.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -54.42 -30.08 51.28 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.99 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -61.52 -36.6 81.0 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 120.343 1.428 . . . . 0.0 114.725 172.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -80.8 -41.88 22.61 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.398 1.479 . . . . 0.0 108.727 -177.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mt -63.48 -34.92 78.82 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.97 170.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -64.13 -41.93 97.02 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 119.546 -1.971 . . . . 0.0 112.051 172.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -60.58 -38.84 85.9 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 173.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.0 mt -85.55 -37.55 12.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 123.762 0.825 . . . . 0.0 112.782 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.467 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 27.7 m-85 -106.3 -20.01 13.52 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.57 1.548 . . . . 0.0 113.516 -169.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.39 -33.12 31.62 Favored Glycine 0 CA--C 1.543 1.81 0 CA-C-O 117.568 -1.685 . . . . 0.0 115.034 168.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.09 -26.73 83.25 Favored 'Trans proline' 0 C--N 1.359 1.08 0 CA-C-N 121.489 2.645 . . . . 0.0 114.441 171.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.6 m-30 -81.48 -48.61 11.62 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.995 0.918 . . . . 0.0 110.725 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.02 -76.76 0.39 Allowed Glycine 0 CA--C 1.533 1.205 0 N-CA-C 115.757 1.063 . . . . 0.0 115.757 168.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -85.93 48.48 2.08 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 124.025 3.15 . . . . 0.0 114.488 -168.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.0 ptm -60.26 67.04 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 128.044 2.538 . . . . 0.0 112.794 168.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -32.55 67.38 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 130.053 3.341 . . . . 0.0 113.503 -176.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -150.32 160.15 43.93 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 122.247 1.022 . . . . 0.0 110.819 172.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.9 t -149.3 71.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 -170.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -71.14 103.94 2.91 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 -172.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.3 mt -114.67 123.96 70.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.482 1.113 . . . . 0.0 112.299 -166.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 mp -129.87 -175.78 3.72 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 129.029 2.932 . . . . 0.0 109.342 -173.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -58.64 56.07 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 129.568 3.147 . . . . 0.0 117.327 -170.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.74 -2.82 27.48 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.665 1.603 . . . . 0.0 113.13 -170.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -119.78 148.49 43.36 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.182 0.991 . . . . 0.0 110.778 -169.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.56 129.42 37.01 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 126.352 1.861 . . . . 0.0 107.428 169.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -114.05 82.94 1.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 104.45 -2.426 . . . . 0.0 104.45 167.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -65.11 151.3 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -147.68 145.23 28.82 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -168.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -123.32 166.37 15.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.947 0.879 . . . . 0.0 112.015 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -105.24 13.01 31.21 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.015 1.326 . . . . 0.0 111.422 169.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -150.93 133.41 15.55 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.864 2.065 . . . . 0.0 110.164 -170.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.59 -17.71 47.34 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.993 0.917 . . . . 0.0 113.242 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -64.59 -37.91 89.2 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 169.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.3 t -65.72 -39.17 90.92 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 118.756 -0.64 . . . . 0.0 111.202 172.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.61 -49.58 72.78 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.084 0.856 . . . . 0.0 111.644 173.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.62 -49.98 64.02 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.348 1.059 . . . . 0.0 112.81 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -38.97 70.03 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 117.963 -1.018 . . . . 0.0 112.972 177.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.66 81.78 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.373 0.988 . . . . 0.0 109.308 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.8 mt -54.12 -58.45 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 124.146 0.978 . . . . 0.0 110.721 172.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -63.31 -21.15 66.08 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -87.75 -36.71 17.18 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.34 1.856 . . . . 0.0 112.983 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.4 p -152.52 -3.06 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -167.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -65.33 119.16 10.44 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 118.962 -2.336 . . . . 0.0 113.259 169.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.74 10.18 83.54 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 123.924 0.773 . . . . 0.0 113.31 168.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -75.09 -62.8 1.43 Allowed 'General case' 0 C--N 1.343 0.288 0 C-N-CA 125.837 1.655 . . . . 0.0 113.33 -169.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.2 t 120.54 114.49 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 131.274 3.83 . . . . 0.0 110.375 -178.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -123.87 148.17 47.02 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.004 1.322 . . . . 0.0 110.757 172.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.08 -59.72 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.739 2.416 . . . . 0.0 115.026 -170.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.423 HD22 ' NE2' ' A' ' 93' ' ' GLN . 1.7 p30 -156.1 -3.91 0.12 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.575 1.95 . . . . 0.0 114.566 170.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.423 ' NE2' HD22 ' A' ' 92' ' ' ASN . 18.3 pt20 -156.28 156.23 29.98 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 119.82 1.191 . . . . 0.0 112.683 -167.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.79 166.07 27.6 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.544 2.163 . . . . 0.0 116.185 -171.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -100.42 156.87 17.02 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 128.161 2.584 . . . . 0.0 112.077 -174.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -119.13 50.19 1.25 Allowed 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 124.793 2.235 . . . . 0.0 110.008 172.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.3 t -64.04 99.76 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 126.8 2.04 . . . . 0.0 107.125 177.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.647 ' CG1' ' H ' ' A' ' 99' ' ' TYR 0.295 0.4 OUTLIER -155.32 -118.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.242 0.692 0 CA-C-N 121.02 1.736 . . . . 0.0 112.391 -164.999 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.647 ' H ' ' CG1' ' A' ' 98' ' ' VAL . 10.3 m-85 -115.73 9.2 15.12 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.708 2.403 . . . . 0.0 111.69 169.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . 0.38 40.0 t . . . . . 0 CA--C 1.55 0.964 0 C-N-CA 129.434 3.093 . . . . 0.0 116.606 -171.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.343 0.2 OUTLIER 45.77 -13.27 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 121.381 3.845 . . . . 0.0 121.381 176.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.9 p -146.48 27.83 1.1 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 -166.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.432 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 0.1 OUTLIER -134.27 125.19 27.21 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 117.022 2.23 . . . . 0.0 117.022 -165.028 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.12 109.45 21.26 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 120.889 -1.132 . . . . 0.0 111.293 -169.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -97.9 98.9 10.2 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 124.978 2.323 . . . . 0.0 106.734 -171.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.287 33.1 t -126.13 99.54 5.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 111.838 -2.437 . . . . 0.0 108.899 -158.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.4 ptt-85 -137.08 -2.88 0.03 OUTLIER Pre-proline 0 CA--C 1.556 1.179 0 N-CA-C 119.3 3.074 . . . . 0.0 119.3 -168.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -48.66 -42.51 36.05 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 123.777 2.985 . . . . 0.0 117.419 173.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.79 152.32 69.07 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 125.19 1.396 . . . . 0.0 112.087 178.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -73.99 -151.3 0.03 OUTLIER 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 121.901 1.734 . . . . 0.0 109.351 165.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.421 ' H ' ' CD2' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -58.15 -17.73 20.53 Favored 'General case' 0 CA--C 1.553 1.091 0 O-C-N 120.348 -1.47 . . . . 0.0 113.262 172.306 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.32 37.12 0.07 Allowed 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 129.303 3.041 . . . . 0.0 116.063 -175.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.2 p -136.46 147.46 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.448 1.499 . . . . 0.0 111.237 171.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -158.94 -175.08 5.08 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.409 1.084 . . . . 0.0 111.235 172.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.11 -22.28 50.11 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 -175.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 p -71.76 -33.09 68.37 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 121.011 1.732 . . . . 0.0 114.081 171.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.6 -42.5 22.13 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.663 1.185 . . . . 0.0 108.519 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.8 mt -61.08 -36.11 78.76 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.917 168.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -62.38 -41.69 98.83 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 119.028 -2.295 . . . . 0.0 111.898 174.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -61.47 -38.04 85.8 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 173.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.2 mt -86.93 -37.73 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.932 0.893 . . . . 0.0 113.022 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.456 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 30.0 m-85 -108.59 -22.95 12.04 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.763 2.025 . . . . 0.0 113.277 -169.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.83 -33.36 35.31 Favored Glycine 0 CA--C 1.544 1.871 0 CA-C-O 117.564 -1.687 . . . . 0.0 114.506 169.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.89 -27.28 84.56 Favored 'Trans proline' 0 C--N 1.356 0.926 0 CA-C-N 121.391 2.596 . . . . 0.0 114.503 169.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.456 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.8 m-30 -78.57 -48.36 15.35 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.868 0.867 . . . . 0.0 110.237 179.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.64 -74.17 0.41 Allowed Glycine 0 CA--C 1.539 1.572 0 N-CA-C 119.287 2.475 . . . . 0.0 119.287 165.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.4 -37.08 3.46 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 123.263 2.642 . . . . 0.0 117.914 -165.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.6 mtp 33.96 53.48 0.51 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 126.441 1.896 . . . . 0.0 114.897 -175.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.85 -30.24 44.6 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.204 1.802 . . . . 0.0 113.319 -172.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -152.0 156.55 40.21 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 122.276 1.036 . . . . 0.0 111.497 169.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.2 t -151.66 70.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 -167.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -75.34 121.71 22.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.9 mt -132.52 129.36 58.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-O 122.574 1.178 . . . . 0.0 110.395 -173.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.0 mp -123.65 172.62 8.67 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 128.875 2.87 . . . . 0.0 107.62 -174.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -29.71 -58.25 0.17 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.428 1.891 . . . . 0.0 115.138 -169.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.96 38.68 1.68 Allowed Glycine 0 CA--C 1.532 1.127 0 C-N-CA 126.011 1.767 . . . . 0.0 113.233 169.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -138.59 153.56 48.67 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.767 1.227 . . . . 0.0 111.377 -178.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -137.25 141.2 42.01 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 126.236 1.814 . . . . 0.0 109.829 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -133.94 79.59 1.82 Allowed 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 105.561 -2.015 . . . . 0.0 105.561 177.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -70.53 158.79 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 112.288 -2.233 . . . . 0.0 106.7 174.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -156.89 150.07 24.03 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 120.999 -1.063 . . . . 0.0 108.863 -167.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -131.62 159.77 37.31 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.707 1.203 . . . . 0.0 110.561 176.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -92.37 -3.58 55.11 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.0 163.16 33.44 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.188 1.395 . . . . 0.0 112.201 177.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.1 1.71 55.18 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -169.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -87.78 -46.03 9.81 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 124.473 1.109 . . . . 0.0 112.801 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -60.72 -36.26 78.38 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 168.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.71 -54.48 26.78 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 118.846 -0.597 . . . . 0.0 111.957 174.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.79 -47.06 71.15 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 123.833 0.853 . . . . 0.0 112.067 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.1 -41.7 77.1 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 117.746 -1.121 . . . . 0.0 112.756 175.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.86 77.51 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.761 1.164 . . . . 0.0 110.165 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.7 mt -51.91 -59.93 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.352 1.061 . . . . 0.0 110.679 172.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -64.3 -25.8 68.21 Favored 'General case' 0 CA--C 1.551 0.991 0 O-C-N 121.319 -0.863 . . . . 0.0 113.248 -177.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -79.23 -39.2 33.76 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.551 1.941 . . . . 0.0 112.848 -178.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.4 p -149.14 -3.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 -167.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -66.71 124.94 24.29 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 119.413 -2.054 . . . . 0.0 111.929 169.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.02 -3.38 87.32 Favored Glycine 0 N--CA 1.472 1.044 0 C-N-CA 123.87 0.747 . . . . 0.0 111.93 169.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -81.32 140.61 34.69 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.949 2.1 . . . . 0.0 108.328 169.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.7 p -85.31 92.65 8.5 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 124.897 1.279 . . . . 0.0 112.505 -169.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -84.26 137.76 33.3 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.868 -0.52 . . . . 0.0 112.015 173.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.1 -55.1 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 129.117 2.967 . . . . 0.0 116.479 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -152.88 -11.67 0.16 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.25 2.22 . . . . 0.0 113.203 -176.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -165.84 164.4 11.71 Favored Pre-proline 0 N--CA 1.479 1.003 0 CA-C-N 120.476 1.489 . . . . 0.0 112.966 -172.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -80.84 145.74 16.07 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 N-CA-C 116.211 1.581 . . . . 0.0 116.211 -174.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.68 161.67 11.95 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.314 2.245 . . . . 0.0 113.593 172.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -126.57 48.57 2.13 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-O 124.23 1.967 . . . . 0.0 109.434 169.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.23 99.07 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 127.635 2.374 . . . . 0.0 107.231 177.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.605 ' CG1' ' H ' ' A' ' 99' ' ' TYR 0.258 1.3 p -158.29 -122.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 120.878 1.672 . . . . 0.0 114.612 -163.283 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.605 ' H ' ' CG1' ' A' ' 98' ' ' VAL . 6.7 m-85 -114.49 67.37 0.68 Allowed 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 130.265 3.426 . . . . 0.0 106.078 168.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.432 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 15.3 t . . . . . 0 N--CA 1.471 0.619 0 O-C-N 120.668 -1.27 . . . . 0.0 110.133 177.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.415 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 1.0 OUTLIER 54.4 8.09 0.18 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 128.019 2.528 . . . . 0.0 115.525 -170.621 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.6 p -147.74 12.9 1.02 Allowed 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 117.234 2.309 . . . . 0.0 117.234 -163.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.3 mtt-85 -130.82 129.39 42.31 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 119.542 3.164 . . . . 0.0 119.542 -165.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.413 ' HA ' ' H ' ' A' ' 98' ' ' VAL . 0.1 OUTLIER -100.53 101.94 12.99 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 114.197 -1.365 . . . . 0.0 110.354 -172.3 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -95.41 101.11 12.81 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 124.195 1.95 . . . . 0.0 109.688 -174.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.06 129.69 57.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.45 -1.25 . . . . 0.0 108.7 -168.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -151.61 17.57 0.02 OUTLIER Pre-proline 0 CA--C 1.552 1.031 0 N-CA-C 117.475 2.398 . . . . 0.0 117.475 -165.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 60.5 Cg_endo -73.76 -25.91 14.1 Favored 'Trans proline' 0 C--N 1.353 0.807 0 CA-C-N 122.679 1.992 . . . . 0.0 113.756 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.76 157.47 85.79 Favored Pre-proline 0 CA--C 1.538 0.488 0 C-N-CA 125.745 1.618 . . . . 0.0 113.003 -169.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.66 -175.69 1.21 Allowed 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.215 1.943 . . . . 0.0 110.364 166.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.428 ' H ' ' CD2' ' A' ' 41' ' ' LEU . 1.1 mm? -58.83 -16.46 17.31 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.048 1.339 . . . . 0.0 113.857 -176.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.86 -17.98 63.4 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.246 2.219 . . . . 0.0 115.897 -175.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 p -60.14 141.55 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 CA-C-N 120.845 1.657 . . . . 0.0 112.825 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -141.89 173.59 11.37 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.966 1.306 . . . . 0.0 111.23 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -51.06 -30.55 16.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.62 1.168 . . . . 0.0 113.21 173.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.88 -33.69 76.16 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 173.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -83.81 -39.94 19.35 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.61 1.564 . . . . 0.0 108.482 -176.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.5 mt -62.72 -38.51 90.74 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.07 168.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -59.93 -41.76 92.49 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.724 -1.235 . . . . 0.0 112.719 172.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -59.68 -37.19 78.11 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 171.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.8 mt -80.17 -40.41 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.355 1.062 . . . . 0.0 112.457 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.501 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 55.3 m-85 -105.84 -25.11 12.3 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.348 1.859 . . . . 0.0 114.802 -169.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.72 -32.19 24.67 Favored Glycine 0 CA--C 1.54 1.654 0 CA-C-O 117.367 -1.796 . . . . 0.0 116.043 171.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.24 -24.94 79.87 Favored 'Trans proline' 0 C--N 1.361 1.23 0 CA-C-N 121.828 2.814 . . . . 0.0 114.141 173.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.6 m-85 -89.96 -44.13 10.09 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.752 1.221 . . . . 0.0 111.564 -177.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.61 -70.69 0.28 Allowed Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.133 1.349 . . . . 0.0 114.512 169.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -63.61 21.2 0.06 OUTLIER 'Trans proline' 0 CA--C 1.545 1.052 1 C-N-CA 125.515 4.144 . . . . 0.0 120.171 -173.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 ptm -49.08 108.91 0.21 Allowed 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 121.487 1.949 . . . . 0.0 109.702 168.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.456 ' HE2' ' C ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -128.28 -21.66 3.52 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.998 1.319 . . . . 0.0 113.631 -164.877 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.37 153.56 47.69 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.621 0.768 . . . . 0.0 109.984 165.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 t -153.67 77.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 124.447 1.099 . . . . 0.0 108.468 -166.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 127.97 34.96 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 169.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.8 mt -133.79 123.96 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 122.396 1.093 . . . . 0.0 109.528 176.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mp -122.24 172.0 8.61 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 127.376 2.27 . . . . 0.0 107.813 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -12.4 -70.24 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 128.861 2.864 . . . . 0.0 114.648 -176.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.99 36.44 1.92 Allowed Glycine 0 CA--C 1.54 1.609 0 C-N-CA 127.11 2.29 . . . . 0.0 112.707 169.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -134.74 149.74 50.48 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.672 1.589 . . . . 0.0 110.664 -173.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -142.09 139.78 32.33 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.7 1.2 . . . . 0.0 111.423 -177.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.71 82.81 1.94 Allowed 'General case' 0 C--O 1.235 0.303 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 -174.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.422 HG22 ' CE2' ' A' ' 52' ' ' PHE . 1.5 t -84.54 158.8 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 113.674 -1.603 . . . . 0.0 108.353 -174.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -144.52 149.73 36.38 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.924 1.238 . . . . 0.0 110.325 -169.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.456 ' C ' ' HE2' ' A' ' 59' ' ' LYS . 22.9 m-85 -128.1 154.53 45.62 Favored 'General case' 0 C--O 1.231 0.084 0 N-CA-C 115.382 1.623 . . . . 0.0 115.382 -177.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -87.74 -7.62 57.11 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.092 1.357 . . . . 0.0 113.041 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -129.02 128.66 44.1 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.496 1.519 . . . . 0.0 110.443 169.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.3 -18.55 61.64 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.737 -0.602 . . . . 0.0 111.919 169.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -66.86 -27.54 67.62 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.339 1.056 . . . . 0.0 113.015 170.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.463 ' HA ' ' CE ' ' A' ' 80' ' ' LYS . 12.5 t -76.34 -33.24 58.98 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 119.67 1.123 . . . . 0.0 111.827 169.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.36 -51.11 68.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 118.476 -0.774 . . . . 0.0 109.627 170.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.9 -52.24 25.59 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 124.932 1.293 . . . . 0.0 113.255 171.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.463 ' CE ' ' HA ' ' A' ' 77' ' ' SER . 1.5 ptpt -67.25 -44.74 78.64 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-O 118.731 -0.652 . . . . 0.0 112.129 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.3 -39.76 88.11 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.785 0.72 . . . . 0.0 110.38 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.409 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 16.7 mt -55.89 -59.81 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 123.581 0.752 . . . . 0.0 109.993 173.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -61.69 -31.86 72.03 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -76.81 -40.36 48.31 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.646 1.579 . . . . 0.0 113.191 -176.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.409 ' CA ' ' HE2' ' A' ' 88' ' ' LYS . 8.2 p -150.84 2.78 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -165.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 9.6 t60 -71.1 127.35 32.29 Favored 'General case' 0 N--CA 1.481 1.104 0 O-C-N 119.123 -2.236 . . . . 0.0 111.815 168.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.31 -9.27 67.68 Favored Glycine 0 N--CA 1.471 0.97 0 C-N-CA 125.444 1.497 . . . . 0.0 112.06 171.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.409 ' HE2' ' CA ' ' A' ' 85' ' ' VAL . 1.9 mppt? -74.24 137.98 43.36 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 127.596 2.358 . . . . 0.0 109.051 169.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.0 p -85.46 105.49 16.12 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 125.395 1.478 . . . . 0.0 111.743 -169.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -103.14 146.91 27.68 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.287 0.635 . . . . 0.0 110.245 173.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 59.84 -66.42 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.665 1.986 . . . . 0.0 114.797 -172.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.46 -2.97 0.06 Allowed 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 128.506 2.722 . . . . 0.0 113.587 -178.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -153.82 160.41 30.97 Favored Pre-proline 0 N--CA 1.486 1.355 0 C-N-CA 125.086 1.354 . . . . 0.0 111.02 -170.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -80.48 163.58 21.7 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.794 1.663 . . . . 0.0 115.56 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.412 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 1.5 mp -101.57 133.45 46.22 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 128.976 2.91 . . . . 0.0 111.911 -173.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -103.05 51.06 0.8 Allowed 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 125.09 2.376 . . . . 0.0 109.596 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.06 101.26 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.66 0 C-N-CA 126.851 2.06 . . . . 0.0 106.877 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.532 HG12 ' H ' ' A' ' 99' ' ' TYR 0.285 0.7 OUTLIER -154.26 -128.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 117.331 -1.748 . . . . 0.0 113.562 -164.194 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.532 ' H ' HG12 ' A' ' 98' ' ' VAL . 11.2 m-30 -107.53 17.34 22.82 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 127.268 2.227 . . . . 0.0 109.547 166.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . 0.449 14.0 t . . . . . 0 CA--C 1.543 0.703 0 C-N-CA 131.289 3.836 . . . . 0.0 119.485 -172.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 CA--C 1.539 0.557 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.403 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.8 OUTLIER 59.76 -11.49 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 127.371 2.268 . . . . 0.0 116.966 -169.683 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.6 p -138.88 22.69 2.64 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 117.524 2.416 . . . . 0.0 117.524 -165.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -133.14 141.36 48.1 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 121.698 2.044 . . . . 0.0 116.06 -167.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.74 109.89 18.88 Favored 'General case' 0 C--N 1.315 -0.931 0 O-C-N 120.271 -1.518 . . . . 0.0 111.436 -168.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -94.59 102.14 14.05 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 -173.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.306 15.7 t -128.16 102.03 7.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-N 113.485 -1.689 . . . . 0.0 106.955 -160.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.4 ptt-85 -135.82 0.36 0.04 OUTLIER Pre-proline 0 CA--C 1.553 1.069 0 N-CA-C 121.022 3.712 . . . . 0.0 121.022 -165.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -50.91 -36.04 51.61 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.149 2.566 . . . . 0.0 116.501 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -76.5 159.36 79.75 Favored Pre-proline 0 CA--C 1.536 0.412 0 C-N-CA 126.041 1.736 . . . . 0.0 113.964 -168.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -81.0 -167.15 0.47 Allowed 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.935 2.424 . . . . 0.0 111.467 166.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.426 ' H ' HD23 ' A' ' 41' ' ' LEU . 1.6 mm? -44.3 -28.16 0.5 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 127.113 2.165 . . . . 0.0 114.048 175.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.19 -22.24 66.87 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.844 2.057 . . . . 0.0 115.116 -173.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.0 p -68.73 133.83 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 120.896 1.68 . . . . 0.0 111.695 174.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -140.08 178.73 7.06 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.477 1.511 . . . . 0.0 109.267 176.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -22.68 29.81 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.2 m -74.51 -30.69 61.9 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.802 1.241 . . . . 0.0 113.072 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -83.8 -38.12 21.68 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.601 1.56 . . . . 0.0 107.876 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.5 mt -64.85 -34.87 79.4 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.082 167.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -61.05 -39.88 91.53 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 119.315 -2.116 . . . . 0.0 112.453 170.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.42 -39.67 80.41 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 171.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.2 mt -87.48 -41.76 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.638 1.175 . . . . 0.0 114.135 -176.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.444 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 56.5 m-85 -100.36 -21.7 15.33 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.4 2.28 . . . . 0.0 113.442 -169.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -47.58 -35.35 10.99 Favored Glycine 0 CA--C 1.543 1.785 0 CA-C-O 117.481 -1.733 . . . . 0.0 115.654 170.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -61.45 -25.51 79.92 Favored 'Trans proline' 0 C--N 1.355 0.898 0 CA-C-N 121.461 2.631 . . . . 0.0 114.254 173.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.444 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.4 m-30 -85.17 -49.24 8.39 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.899 0.88 . . . . 0.0 111.15 -174.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.7 -71.98 0.44 Allowed Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.129 1.347 . . . . 0.0 115.194 169.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -51.68 -52.25 9.42 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 124.17 3.247 . . . . 0.0 117.725 -169.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.3 ptp 22.53 62.68 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 127.573 2.349 . . . . 0.0 114.204 -173.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -33.97 74.21 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 128.676 2.791 . . . . 0.0 114.005 -167.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -145.03 161.25 39.87 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.297 0.57 . . . . 0.0 112.421 169.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 t -153.29 72.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.328 -163.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -69.3 126.1 28.74 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 170.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 9.5 mt -131.79 126.23 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 119.81 1.186 . . . . 0.0 110.378 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mp -133.34 92.57 3.02 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 127.42 2.288 . . . . 0.0 109.692 -168.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 38.39 38.53 0.23 Allowed 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 117.12 2.267 . . . . 0.0 117.12 168.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.07 -34.78 2.56 Favored Glycine 0 N--CA 1.471 1.018 0 O-C-N 120.28 -1.513 . . . . 0.0 114.57 -175.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -96.58 147.09 24.23 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 124.759 1.223 . . . . 0.0 110.245 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.74 140.18 51.15 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 126.969 2.108 . . . . 0.0 108.076 173.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -133.35 81.06 1.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 176.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.3 t -74.35 163.28 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 112.78 -2.009 . . . . 0.0 107.701 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -153.4 152.7 31.35 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 121.139 -0.976 . . . . 0.0 109.891 -168.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -129.8 160.47 33.36 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.058 1.343 . . . . 0.0 111.436 171.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -86.71 -8.53 57.33 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.87 156.85 47.94 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.486 1.914 . . . . 0.0 111.499 174.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.62 -4.09 47.18 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -74.23 -43.01 58.76 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 120.834 -1.166 . . . . 0.0 112.445 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 t -65.77 -32.37 73.87 Favored 'General case' 0 CA--C 1.514 -0.432 0 O-C-N 121.344 -0.848 . . . . 0.0 112.165 169.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.66 -48.04 76.26 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 118.359 -0.829 . . . . 0.0 111.303 172.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.2 -51.08 57.2 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 124.16 0.984 . . . . 0.0 112.462 172.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -68.64 -40.32 80.32 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.74 -43.77 85.61 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.436 0.694 . . . . 0.0 109.859 176.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.3 mt -56.15 -55.66 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 121.013 -1.054 . . . . 0.0 110.494 174.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.06 -24.06 66.86 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -88.58 -37.42 15.68 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.445 1.498 . . . . 0.0 113.704 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.412 ' CA ' ' HE2' ' A' ' 88' ' ' LYS . 10.9 p -148.51 -9.01 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 116.202 1.927 . . . . 0.0 116.202 -167.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -63.85 118.1 7.89 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 119.423 -2.048 . . . . 0.0 112.906 170.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.99 -1.96 87.76 Favored Glycine 0 N--CA 1.474 1.207 0 C-N-CA 124.474 1.035 . . . . 0.0 111.497 171.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.412 ' HE2' ' CA ' ' A' ' 85' ' ' VAL . 2.3 mppt? -79.76 147.44 31.86 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.98 1.712 . . . . 0.0 106.914 168.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.1 m -95.29 122.95 38.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.095 0.474 . . . . 0.0 111.6 -173.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -110.43 144.76 38.74 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.024 0.929 . . . . 0.0 111.652 169.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.92 -58.73 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 128.794 2.838 . . . . 0.0 115.69 -173.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -155.41 -4.39 0.14 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.771 2.028 . . . . 0.0 114.322 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -162.94 167.05 12.46 Favored Pre-proline 0 CA--C 1.549 0.909 0 CA-C-N 120.556 1.525 . . . . 0.0 112.83 -170.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -84.92 157.96 11.69 Favored 'Trans proline' 0 C--N 1.346 0.409 0 N-CA-C 118.035 2.283 . . . . 0.0 118.035 -170.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -82.35 153.73 25.62 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.565 2.346 . . . . 0.0 113.122 171.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -123.14 53.72 1.29 Allowed 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 125.479 2.562 . . . . 0.0 110.377 175.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 68.0 t -66.41 99.17 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 127.528 2.331 . . . . 0.0 107.677 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.731 ' CG1' ' H ' ' A' ' 99' ' ' TYR 0.298 0.3 OUTLIER -156.25 -104.46 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 CA-C-N 120.707 1.594 . . . . 0.0 113.284 -165.359 . . . . . . . . 4 4 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.731 ' H ' ' CG1' ' A' ' 98' ' ' VAL . 8.7 m-85 -125.11 17.07 8.46 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 129.085 2.954 . . . . 0.0 110.526 176.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . 0.47 1.4 p . . . . . 0 CA--C 1.54 0.582 2 C-N-CA 134.846 5.258 . . . . 0.0 122.266 -171.115 . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.731 0.777 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.588 ' CD1' ' H ' ' A' ' 30' ' ' SER . 0.2 OUTLIER -145.26 -154.94 0.57 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 129.461 3.104 . . . . 0.0 104.68 171.023 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.588 ' H ' ' CD1' ' A' ' 29' ' ' LEU . 49.8 m -64.22 -15.81 60.75 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 120.171 -1.58 . . . . 0.0 112.575 166.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 51.6 -11.35 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 131.387 3.875 . . . . 0.0 118.834 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 p -146.77 22.88 1.25 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 -165.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.417 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 19.6 mtt180 -129.76 129.54 44.25 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -166.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.39 111.05 23.63 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.52 -170.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -100.12 93.74 5.88 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 125.162 2.411 . . . . 0.0 106.634 -169.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.273 39.4 t -122.97 92.71 2.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 111.482 -2.599 . . . . 0.0 108.259 -160.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.9 ptt-85 -127.64 19.19 0.08 OUTLIER Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 117.581 2.437 . . . . 0.0 117.581 -168.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -72.14 -34.76 7.74 Favored 'Trans proline' 0 C--N 1.354 0.833 0 CA-C-N 122.555 1.948 . . . . 0.0 113.455 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -76.56 159.01 80.38 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 127.019 2.127 . . . . 0.0 113.021 -169.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -80.25 -159.96 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 122.385 2.057 . . . . 0.0 110.0 164.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -54.27 -13.09 0.77 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.727 1.611 . . . . 0.0 114.79 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.14 -31.54 71.26 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.913 2.085 . . . . 0.0 114.95 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.0 p -69.28 137.29 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 119.95 1.25 . . . . 0.0 111.942 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -142.17 177.23 8.38 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.076 1.35 . . . . 0.0 109.413 171.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -55.96 -22.9 29.0 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -71.19 -33.01 69.56 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.315 1.416 . . . . 0.0 113.707 173.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -83.2 -37.04 24.16 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 125.648 1.579 . . . . 0.0 108.113 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.0 mt -66.11 -37.83 86.72 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.965 168.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -59.54 -39.29 83.46 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 119.68 -1.887 . . . . 0.0 112.477 172.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -60.96 -42.24 97.88 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 171.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.5 mt -84.07 -39.29 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -100.94 -27.02 13.53 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.771 2.028 . . . . 0.0 112.808 -168.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -46.67 -36.78 8.42 Favored Glycine 0 CA--C 1.544 1.868 0 CA-C-O 117.921 -1.488 . . . . 0.0 115.622 170.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.8 -24.4 78.9 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 123.341 2.694 . . . . 0.0 115.125 173.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -73.94 -39.37 63.83 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.238 1.015 . . . . 0.0 111.098 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.97 -84.39 0.37 Allowed Glycine 0 CA--C 1.533 1.209 0 C-N-CA 125.756 1.646 . . . . 0.0 111.16 -174.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -62.77 164.88 17.45 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.168 2.579 . . . . 0.0 114.317 173.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.6 ptm 175.4 66.05 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 130.296 3.438 . . . . 0.0 107.968 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.41 -31.98 71.7 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 128.509 2.723 . . . . 0.0 113.514 -168.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -139.46 153.03 47.47 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 123.546 0.739 . . . . 0.0 110.339 168.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.1 t -152.13 64.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 124.251 1.02 . . . . 0.0 108.552 -166.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -70.79 117.79 12.75 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -175.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.1 mm -110.62 125.44 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.985 1.314 . . . . 0.0 110.702 -176.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mp -133.29 178.77 6.65 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.737 2.415 . . . . 0.0 109.903 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -57.63 47.19 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 130.587 3.555 . . . . 0.0 118.026 -169.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.88 6.43 14.23 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 126.157 1.837 . . . . 0.0 112.806 -169.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -132.27 143.17 49.72 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 117.994 0.897 . . . . 0.0 110.901 -173.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.74 135.92 51.74 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 126.832 2.053 . . . . 0.0 107.21 173.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -127.63 84.74 2.28 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 175.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 t -77.94 162.27 4.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 112.938 -1.937 . . . . 0.0 107.62 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -156.61 152.73 27.55 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 121.36 -0.838 . . . . 0.0 109.896 -169.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -130.75 161.57 31.42 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.329 1.051 . . . . 0.0 111.178 171.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -88.72 1.03 55.86 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.98 169.84 19.02 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.445 1.898 . . . . 0.0 111.775 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.8 -1.11 50.31 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 -169.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -83.66 -40.04 19.46 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.093 -1.004 . . . . 0.0 112.56 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -62.63 -35.0 78.19 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 117.936 0.335 . . . . 0.0 110.533 169.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.83 -51.04 62.3 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.517 -0.739 . . . . 0.0 112.058 173.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.71 -47.64 70.32 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 123.81 0.844 . . . . 0.0 112.46 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.7 -39.05 70.45 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 117.87 -1.062 . . . . 0.0 113.321 175.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.94 -46.2 74.94 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 119.569 1.077 . . . . 0.0 109.302 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.3 mt -54.13 -59.81 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.373 0 C-N-CA 124.553 1.141 . . . . 0.0 110.41 173.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -63.95 -23.0 67.17 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -80.33 -38.42 30.61 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.806 1.643 . . . . 0.0 112.881 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.1 p -152.46 -2.48 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 -166.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -63.16 116.84 5.77 Favored 'General case' 0 N--CA 1.483 1.197 0 O-C-N 118.928 -2.357 . . . . 0.0 112.769 169.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.58 -1.29 83.77 Favored Glycine 0 N--CA 1.472 1.087 0 C-N-CA 124.36 0.981 . . . . 0.0 112.658 169.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -74.73 142.72 44.35 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 126.703 2.001 . . . . 0.0 107.491 168.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.9 p -86.81 96.61 10.26 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.136 0.974 . . . . 0.0 112.026 -174.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -90.87 140.84 29.43 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.46 -0.775 . . . . 0.0 111.594 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.61 -59.26 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 128.536 2.734 . . . . 0.0 116.166 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -155.25 -8.68 0.12 Allowed 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 126.926 2.09 . . . . 0.0 113.287 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -162.38 164.6 16.79 Favored Pre-proline 0 CA--C 1.549 0.94 0 CA-C-N 120.123 1.329 . . . . 0.0 112.988 -176.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.93 157.8 30.96 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 N-CA-C 116.345 1.633 . . . . 0.0 116.345 -177.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -80.35 162.3 24.59 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.616 2.366 . . . . 0.0 114.133 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -130.63 51.34 2.13 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 124.882 2.277 . . . . 0.0 110.008 171.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 66.7 t -64.21 103.52 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 127.798 2.439 . . . . 0.0 107.337 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.454 HG13 ' H ' ' A' ' 99' ' ' TYR . 1.0 OUTLIER -159.95 -135.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.522 0 CA-C-N 121.415 1.916 . . . . 0.0 114.315 -163.221 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.454 ' H ' HG13 ' A' ' 98' ' ' VAL . 12.4 m-30 -106.0 68.34 0.77 Allowed 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 127.096 2.159 . . . . 0.0 106.092 165.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 41.5 t -44.22 137.28 3.56 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -170.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -69.01 15.97 0.06 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 128.435 2.694 . . . . 0.0 115.564 -169.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.2 mp -116.42 130.11 24.74 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 126.205 1.802 . . . . 0.0 109.816 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -84.41 -6.23 10.04 Favored 'Trans proline' 0 CA--C 1.548 1.209 0 C-N-CA 123.885 3.057 . . . . 0.0 114.274 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.306 0 C-N-CA 126.904 2.082 . . . . 0.0 111.979 -174.48 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 121.154 0.502 . . . . 0.0 110.769 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.456 ' CD1' ' H ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -143.36 -171.09 3.42 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.959 2.103 . . . . 0.0 108.91 -177.083 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.456 ' H ' ' CD1' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -66.57 -5.56 11.89 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.287 1.435 . . . . 0.0 114.14 170.521 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.45 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 24.7 m-20 45.55 -5.12 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.006 1 C-N-CA 132.017 4.127 . . . . 0.0 120.499 175.476 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.8 p -145.24 22.64 1.52 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.652 2.094 . . . . 0.0 116.652 -166.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -131.65 130.2 41.79 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.352 1.982 . . . . 0.0 116.352 -166.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.405 ' HA ' ' H ' ' A' ' 98' ' ' VAL . 0.1 OUTLIER -105.83 111.06 23.57 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 120.982 -1.074 . . . . 0.0 110.946 -170.725 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -103.33 103.6 13.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 125.167 2.413 . . . . 0.0 106.942 -170.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.307 41.6 t -126.78 91.33 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 111.994 -2.366 . . . . 0.0 106.991 -159.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -126.02 19.67 0.08 OUTLIER Pre-proline 0 CA--C 1.553 1.094 0 N-CA-C 119.118 3.007 . . . . 0.0 119.118 -167.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD2' ' CE1' ' A' ' 39' ' ' PHE . 81.3 Cg_endo -77.87 -28.49 5.05 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.361 2.041 . . . . 0.0 114.982 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.409 ' CE1' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -79.2 161.69 66.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 C-N-CA 125.208 1.403 . . . . 0.0 113.724 -167.711 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -73.21 -167.67 0.37 Allowed 'Trans proline' 0 N--CA 1.449 -1.141 0 C-N-CA 122.064 1.843 . . . . 0.0 113.514 164.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 mp -69.15 41.98 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 126.781 2.032 . . . . 0.0 113.047 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.2 p30 -129.97 1.46 4.79 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.323 2.249 . . . . 0.0 115.404 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -94.34 139.49 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.607 1.163 . . . . 0.0 109.853 169.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -146.55 175.93 10.21 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.42 1.488 . . . . 0.0 109.421 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -27.62 19.21 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 176.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.3 m -72.26 -32.22 66.48 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.512 1.125 . . . . 0.0 113.367 176.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -82.51 -37.02 25.86 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.893 1.277 . . . . 0.0 108.476 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.35 -37.34 87.17 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.317 167.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -61.82 -38.66 88.96 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 120.043 -1.661 . . . . 0.0 112.758 172.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -61.86 -39.38 91.69 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 170.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.3 mt -87.26 -36.01 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.518 1.127 . . . . 0.0 113.302 -174.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.445 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 29.4 m-85 -105.56 -21.37 13.22 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 127.561 2.344 . . . . 0.0 113.373 -171.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.26 -33.76 24.06 Favored Glycine 0 CA--C 1.544 1.891 0 CA-C-O 117.507 -1.719 . . . . 0.0 115.03 169.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -62.42 -26.66 76.75 Favored 'Trans proline' 0 C--N 1.358 1.063 0 CA-C-N 121.43 2.615 . . . . 0.0 114.091 171.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.445 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 3.0 m-30 -78.46 -50.14 12.18 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.734 1.214 . . . . 0.0 109.854 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.72 -66.47 0.41 Allowed Glycine 0 CA--C 1.536 1.357 0 N-CA-C 116.804 1.482 . . . . 0.0 116.804 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -86.45 21.07 1.12 Allowed 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.461 2.774 . . . . 0.0 116.197 -167.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.3 ptm -36.62 91.25 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 127.48 2.312 . . . . 0.0 112.323 170.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.78 -32.9 16.74 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 128.004 2.522 . . . . 0.0 113.213 -166.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.71 156.53 45.04 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.993 0.902 . . . . 0.0 111.998 172.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.6 t -153.45 116.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 113.505 -1.68 . . . . 0.0 108.697 -166.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.12 111.81 16.97 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 -174.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.6 mm -109.38 123.95 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.981 1.312 . . . . 0.0 109.746 -172.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.23 175.73 9.32 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.434 1.894 . . . . 0.0 109.956 -179.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -39.35 100.74 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.718 1.607 . . . . 0.0 113.36 167.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.64 -4.53 7.03 Favored Glycine 0 CA--C 1.535 1.33 0 N-CA-C 115.601 1.0 . . . . 0.0 115.601 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -123.42 151.0 43.1 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 122.821 1.296 . . . . 0.0 113.251 -168.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.18 135.29 42.96 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 128.096 2.558 . . . . 0.0 107.293 171.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -128.83 91.19 3.17 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 173.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.4 165.52 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.139 -1.391 . . . . 0.0 108.198 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -158.51 153.98 25.97 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 121.37 -0.831 . . . . 0.0 110.421 -167.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -130.86 166.84 20.01 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.649 1.58 . . . . 0.0 110.485 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -93.64 -5.25 49.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.75 -178.93 6.03 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.658 1.583 . . . . 0.0 111.298 170.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.81 -1.01 21.25 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -169.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -76.41 -37.35 57.23 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 120.38 -1.45 . . . . 0.0 111.105 173.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.8 p -59.33 -46.2 89.26 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.275 1.83 . . . . 0.0 111.976 169.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.64 -47.91 83.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 118.492 -0.766 . . . . 0.0 111.483 171.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.78 -47.82 67.27 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.384 0.993 . . . . 0.0 112.63 175.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -69.31 -40.77 77.46 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 118.597 -0.716 . . . . 0.0 112.667 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.29 -46.53 83.05 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.776 0.716 . . . . 0.0 109.661 178.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.7 mt -53.11 -58.43 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 124.637 1.175 . . . . 0.0 110.625 173.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -64.27 -22.8 67.07 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -83.21 -36.58 24.51 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.721 1.608 . . . . 0.0 113.19 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.0 p -151.73 -4.28 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 -167.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -64.27 119.05 9.54 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 119.016 -2.303 . . . . 0.0 112.868 169.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.03 -3.44 84.55 Favored Glycine 0 N--CA 1.474 1.233 0 C-N-CA 124.28 0.943 . . . . 0.0 112.259 169.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -72.78 142.63 48.09 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.915 2.086 . . . . 0.0 107.723 169.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.3 p -91.04 100.16 13.06 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.283 1.033 . . . . 0.0 111.954 -173.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -94.28 142.08 27.82 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.571 -0.705 . . . . 0.0 111.224 173.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 56.93 -62.38 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 128.117 2.567 . . . . 0.0 115.851 -176.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.403 HD22 ' NE2' ' A' ' 93' ' ' GLN . 2.8 p-10 -153.72 -4.28 0.19 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.617 1.967 . . . . 0.0 114.001 177.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.403 ' NE2' HD22 ' A' ' 92' ' ' ASN . 19.7 pt20 -159.12 160.91 28.7 Favored Pre-proline 0 CA--C 1.548 0.874 0 CA-C-N 119.74 1.155 . . . . 0.0 112.579 -172.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -80.53 158.44 22.22 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 N-CA-C 116.161 1.562 . . . . 0.0 116.161 -172.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -81.74 155.5 25.46 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.882 2.073 . . . . 0.0 113.096 174.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -124.86 48.1 2.04 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 125.011 2.339 . . . . 0.0 109.316 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.3 t -66.13 102.44 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 128.01 2.524 . . . . 0.0 107.129 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.504 HG13 ' H ' ' A' ' 99' ' ' TYR 0.266 1.6 p -157.82 -127.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 120.619 1.554 . . . . 0.0 114.025 -163.025 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.504 ' H ' HG13 ' A' ' 98' ' ' VAL . 14.5 m-30 -109.08 23.9 13.88 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.348 2.259 . . . . 0.0 110.404 168.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . 0.276 32.6 t 13.04 88.38 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 129.115 2.966 . . . . 0.0 117.397 -168.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 pptp? -63.62 -172.77 0.06 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.328 1.451 . . . . 0.0 111.675 167.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.6 mt -49.39 149.53 3.86 Favored Pre-proline 0 CA--C 1.554 1.096 0 C-N-CA 124.52 1.128 . . . . 0.0 113.997 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.81 -11.68 3.78 Favored 'Trans proline' 0 CA--C 1.547 1.137 0 C-N-CA 125.069 3.846 . . . . 0.0 117.496 176.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.331 0 C-N-CA 125.378 1.471 . . . . 0.0 111.106 171.148 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 120.911 0.386 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.9 -57.59 0.24 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.664 1.586 . . . . 0.0 109.56 176.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 m -175.01 -27.76 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 129.763 3.225 . . . . 0.0 109.333 176.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.449 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.7 OUTLIER 63.3 2.57 1.16 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 128.608 2.763 . . . . 0.0 116.176 167.444 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.7 p -150.8 22.72 0.78 Allowed 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -164.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 36.1 mtt180 -135.84 136.46 40.64 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 121.742 2.065 . . . . 0.0 116.087 -164.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.55 118.88 34.38 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 120.514 -1.366 . . . . 0.0 112.512 -167.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -105.44 98.68 8.34 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 125.054 2.359 . . . . 0.0 106.182 -168.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.31 25.2 t -126.42 95.69 3.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 111.961 -2.381 . . . . 0.0 107.076 -159.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.66 5.69 0.04 OUTLIER Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 120.94 3.681 . . . . 0.0 120.94 -164.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -57.84 -41.32 70.7 Favored 'Trans proline' 0 C--N 1.353 0.789 0 CA-C-N 123.607 2.324 . . . . 0.0 115.848 175.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.34 164.01 57.43 Favored Pre-proline 0 CA--C 1.534 0.365 0 C-N-CA 126.076 1.751 . . . . 0.0 114.446 -167.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -84.2 -170.64 0.87 Allowed 'Trans proline' 0 CA--C 1.546 1.106 0 C-N-CA 122.732 2.288 . . . . 0.0 110.774 164.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 mp -53.64 -18.32 2.88 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.423 1.489 . . . . 0.0 114.094 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.06 -21.51 66.22 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.605 1.962 . . . . 0.0 114.942 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -66.65 135.76 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 120.567 1.53 . . . . 0.0 111.133 170.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -139.19 178.8 6.92 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.028 1.331 . . . . 0.0 109.45 176.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 pm0 -57.7 -22.53 46.84 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.794 -1.191 . . . . 0.0 113.865 174.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -32.08 71.69 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 120.135 1.334 . . . . 0.0 113.858 171.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -85.43 -38.5 18.6 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 125.721 1.608 . . . . 0.0 107.824 -176.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.6 mt -62.8 -39.03 92.98 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.894 166.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -59.54 -38.31 80.71 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 119.599 -1.938 . . . . 0.0 112.119 174.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -59.7 -42.75 93.71 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 172.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.6 mt -83.56 -44.94 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 C-N-CA 124.597 1.159 . . . . 0.0 113.877 -177.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.478 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 47.7 m-85 -94.34 -26.91 16.36 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 127.873 2.469 . . . . 0.0 113.316 -169.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -45.82 -36.74 6.77 Favored Glycine 0 CA--C 1.543 1.784 0 CA-C-O 117.596 -1.669 . . . . 0.0 115.762 173.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.04 -23.49 77.53 Favored 'Trans proline' 0 CA--C 1.545 1.055 0 CA-C-N 121.384 2.592 . . . . 0.0 114.766 174.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.4 m-30 -78.01 -37.73 46.45 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.904 0.882 . . . . 0.0 111.39 -176.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.49 -80.51 0.27 Allowed Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.332 1.444 . . . . 0.0 111.573 -173.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.93 157.44 28.89 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.293 2.662 . . . . 0.0 113.652 171.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.7 ptm 173.98 60.95 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 130.742 3.617 . . . . 0.0 107.786 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -29.2 68.51 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 128.385 2.674 . . . . 0.0 114.353 -168.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.57 160.06 42.21 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.998 0.904 . . . . 0.0 111.811 170.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.9 t -153.34 115.2 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 126.709 2.003 . . . . 0.0 107.239 -166.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.21 109.37 14.4 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 -176.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.9 mt -122.64 124.5 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-O 122.408 1.099 . . . . 0.0 110.832 -168.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.7 mp -128.5 -176.9 3.96 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 129.292 3.037 . . . . 0.0 108.995 -170.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -51.63 39.21 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.328 1 C-N-CA 132.298 4.239 . . . . 0.0 118.862 -174.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.6 9.1 7.9 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 127.039 2.257 . . . . 0.0 113.257 -169.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -133.77 146.96 51.21 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.126 0.963 . . . . 0.0 111.756 -170.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -132.13 133.51 44.36 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 127.745 2.418 . . . . 0.0 108.427 173.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -123.74 93.59 3.98 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 171.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -86.39 162.58 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.117 -1.401 . . . . 0.0 108.033 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -151.68 150.53 30.34 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.33 -0.856 . . . . 0.0 110.443 -168.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -127.09 160.84 29.96 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -98.22 9.94 41.78 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.796 1.638 . . . . 0.0 111.137 167.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -142.42 108.24 5.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.154 2.182 . . . . 0.0 109.225 -169.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.77 -26.94 67.61 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.558 -0.714 . . . . 0.0 112.708 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -70.71 -21.79 62.52 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.21 -0.931 . . . . 0.0 112.726 172.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.9 t -72.24 -40.54 67.64 Favored 'General case' 0 CA--C 1.511 -0.531 0 O-C-N 120.749 -1.219 . . . . 0.0 110.409 169.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.05 87.89 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.998 0.817 . . . . 0.0 111.339 170.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.57 -53.48 37.63 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 119.412 1.005 . . . . 0.0 113.042 174.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -38.4 75.88 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 118.392 -0.813 . . . . 0.0 112.932 178.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.53 -44.93 81.3 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.076 0.853 . . . . 0.0 109.317 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.7 mt -55.07 -58.5 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.191 0.996 . . . . 0.0 109.921 173.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -63.81 -23.46 67.37 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.78 -36.78 23.33 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.196 1.799 . . . . 0.0 113.105 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.1 p -150.06 -11.58 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 -167.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -63.84 116.77 6.1 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 119.207 -2.183 . . . . 0.0 111.114 168.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.05 3.17 55.87 Favored Glycine 0 N--CA 1.471 0.974 0 C-N-CA 123.827 0.727 . . . . 0.0 112.266 172.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -97.96 132.81 43.21 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 126.585 1.954 . . . . 0.0 108.505 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.2 p -78.87 98.75 6.47 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 124.619 1.168 . . . . 0.0 113.291 -169.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -97.99 143.7 28.29 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.504 -0.747 . . . . 0.0 110.665 169.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.01 -60.51 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 128.658 2.783 . . . . 0.0 117.087 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -150.83 -9.98 0.24 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.715 2.006 . . . . 0.0 113.988 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -158.19 163.38 24.66 Favored Pre-proline 0 N--CA 1.474 0.728 0 C-N-CA 124.522 1.129 . . . . 0.0 111.606 -171.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.8 150.37 30.57 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 CA-C-O 123.025 1.177 . . . . 0.0 114.42 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -69.82 153.88 42.72 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 113.695 -1.593 . . . . 0.0 112.331 170.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -125.71 50.35 1.84 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 125.552 2.596 . . . . 0.0 109.666 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.19 110.54 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 128.561 2.744 . . . . 0.0 107.621 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.51 HG13 ' H ' ' A' ' 99' ' ' TYR 0.266 0.9 OUTLIER -158.94 -131.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 121.287 1.858 . . . . 0.0 115.389 -163.652 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.51 ' H ' HG13 ' A' ' 98' ' ' VAL . 17.5 m-30 -107.59 51.37 0.74 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.28 2.232 . . . . 0.0 107.766 167.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.437 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 13.5 m -52.76 151.26 4.57 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.727 1.611 . . . . 0.0 114.419 -169.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -149.69 148.62 29.49 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.647 0.779 . . . . 0.0 112.055 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -148.76 -175.33 0.46 Allowed Pre-proline 0 CA--C 1.558 1.27 0 C-N-CA 129.517 3.127 . . . . 0.0 107.918 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -51.97 -25.27 21.53 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 123.084 2.523 . . . . 0.0 116.4 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.355 1.862 . . . . 0.0 110.983 175.164 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.527 HD13 ' H ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -140.69 -174.26 3.92 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.2 1.4 . . . . 0.0 111.229 -178.493 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.527 ' H ' HD13 ' A' ' 29' ' ' LEU . 15.5 m -67.01 -18.14 65.24 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.275 1.83 . . . . 0.0 115.587 174.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.417 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 25.5 m-80 53.67 -6.44 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 129.107 2.963 . . . . 0.0 118.533 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.5 p -144.44 18.78 1.7 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 -166.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 28.9 mtt180 -126.0 126.68 44.69 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 116.782 2.141 . . . . 0.0 116.782 -165.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.409 ' HA ' ' H ' ' A' ' 98' ' ' VAL . 0.2 OUTLIER -105.02 107.62 18.7 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 121.065 -1.022 . . . . 0.0 110.818 -169.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.25 0.9 OUTLIER -97.18 93.78 6.74 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-O 126.03 2.824 . . . . 0.0 107.17 -170.614 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.326 21.5 t -120.49 102.77 12.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 110.658 -2.974 . . . . 0.0 106.853 -160.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 ptt-85 -134.49 -9.36 0.03 OUTLIER Pre-proline 0 CA--C 1.55 0.951 0 N-CA-C 120.131 3.382 . . . . 0.0 120.131 -165.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -49.42 -33.99 31.39 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 124.033 3.155 . . . . 0.0 117.946 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.07 160.4 80.52 Favored Pre-proline 0 C--O 1.237 0.435 0 C-N-CA 125.771 1.628 . . . . 0.0 113.615 -170.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.97 -173.17 1.77 Allowed 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.013 1.808 . . . . 0.0 110.894 165.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.2 mp -56.44 -13.54 2.36 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.186 1.394 . . . . 0.0 114.595 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -68.12 -10.14 51.77 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.722 2.009 . . . . 0.0 115.442 177.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.78 148.7 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-N 120.331 1.423 . . . . 0.0 112.225 172.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -165.56 -169.1 1.48 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.287 1.435 . . . . 0.0 110.643 168.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.82 -20.98 17.24 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -175.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 t -71.82 -34.25 69.16 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.394 1.452 . . . . 0.0 113.104 172.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -85.92 -38.53 17.92 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 125.837 1.655 . . . . 0.0 107.888 -174.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.6 mt -63.44 -37.34 86.92 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.179 165.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.59 -44.42 85.36 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 119.862 -1.774 . . . . 0.0 112.623 171.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -60.84 -41.45 95.82 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.8 mt -83.3 -37.64 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.177 0.991 . . . . 0.0 112.912 -174.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.443 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 34.0 m-85 -101.97 -18.92 15.44 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.152 1.781 . . . . 0.0 113.438 -169.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -47.02 -34.49 7.57 Favored Glycine 0 CA--C 1.542 1.737 0 CA-C-O 117.685 -1.619 . . . . 0.0 115.555 169.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -63.58 -24.7 69.8 Favored 'Trans proline' 0 C--N 1.357 0.979 0 CA-C-N 121.546 2.673 . . . . 0.0 114.491 173.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.443 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.7 m-30 -87.93 -47.72 8.34 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.674 0.79 . . . . 0.0 111.081 -172.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.62 -74.94 0.37 Allowed Glycine 0 CA--C 1.538 1.498 0 N-CA-C 116.359 1.303 . . . . 0.0 116.359 169.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -81.74 33.66 0.53 Allowed 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 124.271 3.314 . . . . 0.0 116.503 -166.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.0 ptp -44.57 106.52 0.07 Allowed 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 120.11 1.323 . . . . 0.0 110.657 168.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -103.72 -44.09 5.17 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 125.346 1.458 . . . . 0.0 113.354 -167.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.03 157.15 43.8 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.202 170.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 t -154.2 65.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.184 -164.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -72.59 109.95 6.61 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.701 0.8 . . . . 0.0 109.435 -175.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.1 mm -106.75 124.09 62.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.217 1.007 . . . . 0.0 109.647 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.82 95.5 3.47 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 124.507 1.123 . . . . 0.0 110.315 -177.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 53.48 -104.27 0.2 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.465 0.706 . . . . 0.0 110.616 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.14 -7.12 83.8 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 126.451 1.977 . . . . 0.0 116.183 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -109.68 155.14 21.89 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.278 1.539 . . . . 0.0 112.594 -169.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.39 130.72 28.83 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 126.56 1.944 . . . . 0.0 108.947 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -121.55 85.44 2.41 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 167.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.74 160.94 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 113.833 -1.53 . . . . 0.0 108.096 172.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -150.79 151.13 31.87 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 124.102 0.961 . . . . 0.0 108.821 -172.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -129.27 163.26 26.03 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.522 1.129 . . . . 0.0 112.439 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -91.72 -3.23 56.49 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 121.763 0.792 . . . . 0.0 110.58 165.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -121.38 101.86 7.9 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 128.101 2.56 . . . . 0.0 109.097 -169.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.4 -20.81 63.48 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 121.461 -0.774 . . . . 0.0 112.647 173.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -70.29 -24.72 63.08 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.998 -1.064 . . . . 0.0 112.337 169.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.464 ' HA ' ' CE ' ' A' ' 80' ' ' LYS . 9.1 t -77.61 -31.58 53.02 Favored 'General case' 0 CA--C 1.502 -0.871 0 O-C-N 120.876 -1.14 . . . . 0.0 111.702 169.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.38 -49.95 73.48 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 119.02 0.827 . . . . 0.0 109.779 169.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.68 -50.39 54.98 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.705 1.202 . . . . 0.0 113.073 171.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.464 ' CE ' ' HA ' ' A' ' 77' ' ' SER . 1.5 ptpt -69.94 -40.33 75.54 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.464 -0.773 . . . . 0.0 112.915 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.26 -43.49 92.46 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.907 0.883 . . . . 0.0 109.353 176.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.9 mt -55.75 -57.37 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 121.298 -0.876 . . . . 0.0 110.534 173.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -61.78 -24.51 66.89 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.84 -37.75 18.86 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.348 1.459 . . . . 0.0 113.01 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.8 p -152.48 -3.6 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -166.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -66.49 121.14 14.65 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 119.123 -2.235 . . . . 0.0 112.186 169.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.46 -2.74 83.31 Favored Glycine 0 N--CA 1.472 1.09 0 C-N-CA 123.859 0.742 . . . . 0.0 112.304 169.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -75.97 139.89 41.77 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 127.099 2.16 . . . . 0.0 107.936 169.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.9 p -86.16 89.42 7.83 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.956 0.903 . . . . 0.0 112.405 -171.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -80.85 140.09 35.59 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.587 -0.696 . . . . 0.0 111.065 174.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.23 -60.56 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 128.332 2.653 . . . . 0.0 115.378 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -155.1 -4.15 0.14 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.858 2.063 . . . . 0.0 114.252 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -159.13 162.61 25.83 Favored Pre-proline 0 N--CA 1.478 0.958 0 CA-C-N 120.192 1.36 . . . . 0.0 111.946 -171.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -84.5 146.89 11.0 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 N-CA-C 116.113 1.543 . . . . 0.0 116.113 -171.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.41 160.29 19.44 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.068 2.147 . . . . 0.0 113.278 169.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -129.98 52.08 2.03 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 124.764 2.221 . . . . 0.0 109.757 169.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.46 105.7 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 127.552 2.341 . . . . 0.0 107.519 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.454 HG11 ' H ' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -158.89 -137.25 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-N 121.059 1.754 . . . . 0.0 113.422 -163.581 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.454 ' H ' HG11 ' A' ' 98' ' ' VAL . 15.7 m-30 -106.71 53.22 0.7 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.616 1.966 . . . . 0.0 107.945 167.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.406 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 23.1 t -31.68 111.05 0.08 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.412 1.485 . . . . 0.0 114.497 -169.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 37.02 0.05 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.553 2.341 . . . . 0.0 116.491 -168.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.05 146.97 62.07 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 125.214 1.405 . . . . 0.0 112.658 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -80.78 -177.1 3.52 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 124.413 3.409 . . . . 0.0 112.337 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.148 0 C-N-CA 128.46 2.704 . . . . 0.0 114.763 178.404 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.592 ' CD ' ' H ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.764 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.592 ' H ' ' CD ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -142.54 -56.9 0.44 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 127.65 2.38 . . . . 0.0 108.407 -168.865 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 m -172.67 -17.09 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.598 1.959 . . . . 0.0 113.797 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.409 ' HA ' ' CD1' ' A' ' 99' ' ' TYR 0.339 6.8 p30 47.44 -7.02 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 119.876 3.288 . . . . 0.0 119.876 -176.714 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.5 p -144.07 20.01 1.77 Allowed 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 -169.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.424 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 13.3 mtt180 -125.23 130.57 52.35 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 117.597 2.443 . . . . 0.0 117.597 -165.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.74 115.42 29.83 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.103 -0.998 . . . . 0.0 110.22 -169.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -103.25 97.32 7.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 124.764 2.221 . . . . 0.0 105.525 -169.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.277 14.8 t -126.17 92.02 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 112.279 -2.237 . . . . 0.0 107.479 -160.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.17 -2.99 0.05 OUTLIER Pre-proline 0 CA--C 1.55 0.974 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 -165.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -59.95 -22.01 67.07 Favored 'Trans proline' 0 C--N 1.354 0.83 0 CA-C-N 123.435 2.262 . . . . 0.0 117.82 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -79.19 164.21 55.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 C-N-CA 124.525 1.13 . . . . 0.0 112.88 -168.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -83.7 -179.25 4.03 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 121.418 1.412 . . . . 0.0 110.958 164.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 mp -51.75 -20.66 2.25 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.815 1.646 . . . . 0.0 113.94 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.52 -22.75 65.42 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.002 2.121 . . . . 0.0 115.184 176.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.68 144.48 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 CA-C-N 121.345 1.884 . . . . 0.0 111.59 175.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -150.35 172.28 15.64 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 124.574 1.15 . . . . 0.0 110.175 -173.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -47.3 -35.0 7.33 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.61 1.164 . . . . 0.0 112.515 169.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -66.82 -32.79 74.29 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 120.172 1.351 . . . . 0.0 114.594 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -84.39 -37.01 22.03 Favored 'General case' 0 C--N 1.34 0.192 0 O-C-N 120.149 -1.594 . . . . 0.0 109.388 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.6 mt -63.14 -37.73 88.38 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.855 -1.066 . . . . 0.0 108.899 167.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -62.24 -42.34 99.24 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 120.322 -1.486 . . . . 0.0 112.14 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -58.34 -41.52 84.81 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 172.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.9 mt -86.84 -39.15 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.239 1.016 . . . . 0.0 112.874 -172.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.485 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 29.9 m-85 -101.1 -22.43 14.71 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.617 1.967 . . . . 0.0 113.476 -171.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -47.05 -36.58 9.24 Favored Glycine 0 CA--C 1.539 1.593 0 CA-C-O 117.882 -1.51 . . . . 0.0 115.617 169.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.45 -25.22 79.53 Favored 'Trans proline' 0 C--N 1.356 0.934 0 CA-C-N 121.269 2.535 . . . . 0.0 114.456 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.9 m-30 -81.17 -42.12 21.33 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.937 0.895 . . . . 0.0 111.349 -177.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.63 -80.55 0.27 Allowed Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.536 1.541 . . . . 0.0 113.458 174.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_exo -67.86 41.79 0.23 Allowed 'Trans proline' 0 CA--C 1.546 1.09 0 C-N-CA 125.056 3.838 . . . . 0.0 118.458 -174.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.8 ptm -62.62 67.23 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 127.116 2.166 . . . . 0.0 113.035 168.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.41 -34.95 76.93 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 129.463 3.105 . . . . 0.0 115.145 -167.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -147.26 152.74 38.81 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 123.901 0.88 . . . . 0.0 112.331 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 t -152.76 88.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 114.437 -1.256 . . . . 0.0 110.749 -163.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -69.79 140.35 53.35 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 166.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 10.1 mm -130.54 127.84 62.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.569 1.548 . . . . 0.0 109.6 175.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.0 171.36 14.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 127.217 2.207 . . . . 0.0 109.88 -171.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.05 97.83 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.483 1.513 . . . . 0.0 113.552 167.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.86 -7.61 5.25 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 115.175 0.83 . . . . 0.0 115.175 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -122.69 148.58 45.13 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 122.861 1.315 . . . . 0.0 111.941 -168.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.57 137.04 45.31 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 127.384 2.273 . . . . 0.0 107.513 172.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -125.99 86.79 2.58 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 173.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.8 t -77.9 159.19 4.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 113.225 -1.807 . . . . 0.0 107.486 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -153.3 147.77 26.02 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -171.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -127.45 164.8 21.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.984 0.897 . . . . 0.0 112.628 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -92.42 -6.87 49.1 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.893 0.877 . . . . 0.0 112.718 171.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -126.74 128.47 46.7 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.079 1.352 . . . . 0.0 111.826 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.94 -24.29 65.94 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.423 0.689 . . . . 0.0 112.293 169.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -65.61 -28.36 69.06 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.092 0.957 . . . . 0.0 112.678 172.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.479 ' HA ' ' CE ' ' A' ' 80' ' ' LYS . 10.5 t -73.3 -35.47 66.12 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 119.066 0.848 . . . . 0.0 111.732 169.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.37 -48.66 77.0 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 119.773 1.169 . . . . 0.0 110.869 171.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.76 -51.91 35.63 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.723 1.147 . . . . 0.0 112.926 172.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.479 ' CE ' ' HA ' ' A' ' 77' ' ' SER . 1.2 ptpt -69.31 -42.21 75.72 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.534 -0.729 . . . . 0.0 112.613 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.32 -42.46 91.46 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.101 0.96 . . . . 0.0 109.864 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.409 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 17.4 mt -55.63 -58.52 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.067 0.947 . . . . 0.0 109.901 174.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -63.0 -24.56 67.98 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -81.47 -38.49 26.28 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.18 1.392 . . . . 0.0 113.32 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.4 p -151.6 -6.41 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 116.334 1.976 . . . . 0.0 116.334 -167.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 9.4 t60 -66.23 122.52 17.66 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 119.077 -2.264 . . . . 0.0 112.227 169.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.54 -4.68 73.25 Favored Glycine 0 N--CA 1.472 1.099 0 C-N-CA 123.846 0.736 . . . . 0.0 111.979 169.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -78.69 140.97 38.28 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 127.074 2.15 . . . . 0.0 108.152 171.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 65.1 p -89.73 104.59 17.14 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.576 1.15 . . . . 0.0 112.542 -170.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -102.26 145.17 29.82 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.63 -0.669 . . . . 0.0 111.006 172.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 53.04 -58.51 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 128.724 2.81 . . . . 0.0 117.995 176.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -144.02 -13.05 0.64 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.624 1.569 . . . . 0.0 114.316 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -165.08 168.69 8.27 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 124.42 1.088 . . . . 0.0 112.069 -168.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -76.37 148.66 30.39 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 N-CA-C 116.417 1.661 . . . . 0.0 116.417 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.9 153.68 42.89 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 127.011 2.124 . . . . 0.0 112.311 169.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -129.88 50.06 2.21 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 125.268 2.461 . . . . 0.0 109.434 -176.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 55.6 t -68.1 104.41 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 128.181 2.592 . . . . 0.0 107.366 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.409 HG11 ' H ' ' A' ' 99' ' ' TYR . 1.5 p -159.37 -135.47 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 121.281 1.855 . . . . 0.0 114.01 -162.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.409 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 10.7 m-30 -107.92 68.51 0.71 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 103.635 -2.728 . . . . 0.0 103.635 164.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.424 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 13.6 t -34.73 130.52 0.39 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -167.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -64.0 20.13 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 129.294 3.038 . . . . 0.0 116.081 -173.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.6 tp -149.6 120.65 4.07 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 127.717 2.407 . . . . 0.0 107.66 174.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -85.51 17.4 1.77 Allowed 'Trans proline' 0 CA--C 1.556 1.583 0 C-N-CA 124.472 3.448 . . . . 0.0 113.802 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.167 0 C-N-CA 126.323 1.849 . . . . 0.0 111.644 -175.329 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 120.806 0.336 . . . . 0.0 111.843 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.43 176.48 10.55 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.605 1.962 . . . . 0.0 109.509 -177.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.3 m -73.68 -4.72 36.09 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.916 -1.115 . . . . 0.0 113.718 169.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 45.66 -2.37 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.21 1 C-N-CA 132.712 4.405 . . . . 0.0 120.469 174.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.7 p -144.66 27.26 1.36 Allowed 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.362 1.892 . . . . 0.0 114.867 -166.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.423 ' CB ' ' HB3' ' A' ' 100' ' ' SER . 35.0 mtt180 -133.29 132.15 41.02 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 -165.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.61 106.21 16.17 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 113.892 -1.504 . . . . 0.0 109.935 -169.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -99.15 96.57 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 125.524 2.583 . . . . 0.0 106.637 -169.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.306 24.3 t -122.3 96.43 4.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 111.332 -2.667 . . . . 0.0 108.041 -159.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.7 ptt-85 -132.72 14.53 0.05 OUTLIER Pre-proline 0 CA--C 1.555 1.166 0 N-CA-C 119.766 3.247 . . . . 0.0 119.766 -166.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.417 ' HD2' ' CE1' ' A' ' 39' ' ' PHE . 61.2 Cg_endo -69.4 -36.34 11.94 Favored 'Trans proline' 0 C--N 1.355 0.889 0 CA-C-N 123.574 2.312 . . . . 0.0 113.966 177.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CE1' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -71.22 152.38 94.47 Favored Pre-proline 0 C--N 1.327 -0.384 0 C-N-CA 126.58 1.952 . . . . 0.0 112.156 -173.623 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.9 -157.08 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.127 0 C-N-CA 121.925 1.75 . . . . 0.0 110.014 164.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -53.31 -12.7 0.44 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.59 1.556 . . . . 0.0 114.965 176.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.54 -31.4 70.5 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.315 1.846 . . . . 0.0 115.357 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.3 p -76.17 136.62 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 119.775 1.171 . . . . 0.0 111.973 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.0 172.61 12.44 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.258 1.423 . . . . 0.0 109.405 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -53.66 -29.67 39.59 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.92 0.888 . . . . 0.0 113.179 174.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -67.47 -33.86 75.99 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 172.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -82.67 -38.52 23.33 Favored 'General case' 0 C--N 1.334 -0.106 0 O-C-N 120.235 -1.54 . . . . 0.0 108.288 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.1 mt -64.62 -35.62 81.59 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.022 0.929 . . . . 0.0 109.806 168.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -59.79 -45.43 92.33 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 120.19 -1.569 . . . . 0.0 112.169 169.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -62.01 -35.34 78.25 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.3 mt -92.68 -31.28 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.326 1.05 . . . . 0.0 112.627 -172.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -108.41 -18.22 13.8 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.448 1.499 . . . . 0.0 113.375 -172.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.85 -33.51 28.2 Favored Glycine 0 CA--C 1.545 1.928 0 CA-C-O 117.325 -1.819 . . . . 0.0 114.452 167.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.76 -28.36 81.87 Favored 'Trans proline' 0 C--N 1.356 0.968 0 CA-C-N 121.781 2.79 . . . . 0.0 114.208 171.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -82.12 -51.83 7.6 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.355 1.062 . . . . 0.0 109.848 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.85 -75.11 0.4 Allowed Glycine 0 CA--C 1.536 1.368 0 N-CA-C 117.325 1.69 . . . . 0.0 117.325 167.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -78.19 32.29 0.45 Allowed 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 124.436 3.424 . . . . 0.0 116.024 -166.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -46.88 99.93 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.439 1.496 . . . . 0.0 111.412 168.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.79 -24.72 10.73 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 126.39 1.876 . . . . 0.0 112.469 -167.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -139.33 154.55 47.91 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.31 0.576 . . . . 0.0 109.848 163.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t -151.47 66.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 125.528 1.531 . . . . 0.0 107.497 -168.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.1 mtpp -65.82 120.73 13.56 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 9.8 mm -114.1 124.67 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.214 1.006 . . . . 0.0 110.275 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 mp -133.42 -179.66 5.65 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.412 2.285 . . . . 0.0 110.267 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -54.35 44.49 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.348 1 C-N-CA 131.859 4.064 . . . . 0.0 118.233 -171.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.04 14.93 10.39 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 126.175 1.845 . . . . 0.0 112.551 -169.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -135.46 144.86 46.65 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.347 1.073 . . . . 0.0 111.376 -177.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.69 137.54 53.28 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 127.561 2.344 . . . . 0.0 107.801 172.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -130.67 82.75 2.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 175.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.7 t -73.31 159.51 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 113.782 -1.554 . . . . 0.0 107.974 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -153.19 147.64 25.98 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 121.14 -0.975 . . . . 0.0 110.135 -170.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -130.64 162.3 29.68 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.283 1.033 . . . . 0.0 113.603 177.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.97 -8.83 59.85 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -175.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.55 179.58 7.7 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.251 1.82 . . . . 0.0 110.913 172.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.25 -2.18 34.48 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -174.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -76.09 -40.09 53.84 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 120.556 -1.34 . . . . 0.0 111.27 176.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 p -58.51 -44.03 89.35 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 126.221 1.809 . . . . 0.0 111.666 169.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.06 -46.38 89.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 117.997 -1.001 . . . . 0.0 111.363 171.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.26 -49.34 67.09 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.835 1.198 . . . . 0.0 112.459 176.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -67.95 -41.29 82.73 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 174.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.45 -44.41 89.22 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 119.24 0.927 . . . . 0.0 109.54 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.1 mt -53.23 -59.28 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.722 1.209 . . . . 0.0 109.948 172.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -61.05 -27.6 68.46 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -177.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.9 -38.27 28.28 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.223 1.409 . . . . 0.0 113.76 -178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.9 p -147.35 -4.81 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 -167.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -66.32 124.54 22.99 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 119.281 -2.137 . . . . 0.0 112.418 169.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.92 -2.25 87.77 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 125.12 1.343 . . . . 0.0 112.321 170.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -77.01 143.27 39.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 126.419 1.888 . . . . 0.0 107.558 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.3 p -92.49 93.91 8.81 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 124.759 1.224 . . . . 0.0 112.141 -169.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -87.37 141.75 28.4 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 122.077 -0.39 . . . . 0.0 111.32 174.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.22 -62.55 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 128.31 2.644 . . . . 0.0 115.707 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -152.77 -5.18 0.21 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.131 1.772 . . . . 0.0 113.992 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -159.6 168.71 11.65 Favored Pre-proline 0 CA--C 1.552 1.051 0 CA-C-N 119.906 1.23 . . . . 0.0 112.148 -174.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -82.09 160.27 18.05 Favored 'Trans proline' 0 C--N 1.352 0.746 0 N-CA-C 116.784 1.801 . . . . 0.0 116.784 -171.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -82.82 153.47 25.17 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.024 2.129 . . . . 0.0 113.03 170.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -120.29 51.42 1.21 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 124.583 2.135 . . . . 0.0 109.816 170.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.7 104.01 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.923 2.089 . . . . 0.0 107.084 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.542 HG13 ' H ' ' A' ' 99' ' ' TYR 0.263 0.8 OUTLIER -158.26 -129.9 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 121.007 1.731 . . . . 0.0 112.975 -164.214 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.542 ' H ' HG13 ' A' ' 98' ' ' VAL . 15.8 m-30 -105.84 11.34 32.0 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.067 2.147 . . . . 0.0 111.445 168.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.423 ' HB3' ' CB ' ' A' ' 33' ' ' ARG 0.34 21.3 t 35.35 -13.21 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.118 2 C-N-CA 133.202 4.601 . . . . 0.0 122.184 -169.62 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . 0.338 0.0 OUTLIER 52.58 -11.49 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 129.256 3.023 . . . . 0.0 118.356 -169.644 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.3 tp -67.03 123.55 86.53 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 124.938 1.295 . . . . 0.0 109.413 168.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -87.34 -7.43 6.82 Favored 'Trans proline' 0 CA--C 1.548 1.19 0 C-N-CA 123.472 2.781 . . . . 0.0 114.911 -171.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.09 0 C-N-CA 125.97 1.708 . . . . 0.0 111.804 -172.225 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.484 1.272 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.35 172.64 16.15 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.287 1.435 . . . . 0.0 109.651 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.3 m -52.02 -18.49 1.42 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 116.91 2.189 . . . . 0.0 116.91 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.466 ' HA ' ' CD1' ' A' ' 99' ' ' TYR 0.316 2.3 p30 52.37 -4.33 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 128.256 2.622 . . . . 0.0 117.839 -173.826 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.3 p -141.38 24.1 2.12 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 118.039 2.607 . . . . 0.0 118.039 -168.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -134.86 133.51 39.78 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 117.1 2.259 . . . . 0.0 117.1 -169.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.19 106.1 16.13 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.53 -170.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.424 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 3.5 t80 -93.77 99.99 12.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 125.07 2.367 . . . . 0.0 106.788 -173.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.303 24.8 t -128.03 83.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 111.807 -2.452 . . . . 0.0 107.563 -160.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.93 -6.08 0.08 OUTLIER Pre-proline 0 CA--C 1.553 1.077 0 N-CA-C 118.742 2.867 . . . . 0.0 118.742 -172.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_exo -50.43 -26.03 15.35 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.855 3.037 . . . . 0.0 118.709 176.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.44 162.88 52.2 Favored Pre-proline 0 C--O 1.237 0.409 0 C-N-CA 125.1 1.36 . . . . 0.0 114.472 -169.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -84.27 -177.3 2.93 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 121.947 1.765 . . . . 0.0 110.173 163.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mp -57.93 -12.5 3.28 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.325 1.45 . . . . 0.0 114.331 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.36 -24.81 67.56 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.24 1.816 . . . . 0.0 114.024 171.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.7 151.52 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 119.98 1.263 . . . . 0.0 109.998 169.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.69 179.27 1.73 Allowed 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 125.441 1.496 . . . . 0.0 108.913 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -51.27 -29.51 14.92 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 124.098 0.959 . . . . 0.0 112.96 -174.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.6 p -68.77 -34.25 75.25 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.258 1.39 . . . . 0.0 114.737 173.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -77.02 -43.13 35.81 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 122.686 1.231 . . . . 0.0 108.486 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.9 mt -63.5 -34.87 78.73 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.805 173.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -63.09 -46.34 87.85 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 119.822 -1.799 . . . . 0.0 112.319 171.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -57.16 -37.24 71.78 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.4 mt -90.29 -39.46 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 123.791 0.836 . . . . 0.0 112.627 -174.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.455 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 24.5 m-85 -105.49 -21.67 13.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.78 1.632 . . . . 0.0 114.034 -169.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.01 -34.76 24.22 Favored Glycine 0 CA--C 1.541 1.716 0 CA-C-O 117.704 -1.609 . . . . 0.0 114.648 169.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.06 -26.61 82.91 Favored 'Trans proline' 0 C--N 1.359 1.097 0 CA-C-N 121.204 2.502 . . . . 0.0 114.592 170.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.0 OUTLIER -82.01 -50.36 9.2 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.039 0.836 . . . . 0.0 109.565 -179.373 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.12 -72.2 0.49 Allowed Glycine 0 CA--C 1.537 1.434 0 N-CA-C 119.003 2.361 . . . . 0.0 119.003 166.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -68.63 -35.73 16.21 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.759 2.306 . . . . 0.0 117.038 -165.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.2 mtp 31.65 51.36 0.17 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 126.73 2.012 . . . . 0.0 114.594 -176.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.64 -29.32 37.73 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 126.267 1.827 . . . . 0.0 112.845 -169.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -155.72 157.07 35.99 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 124.024 0.93 . . . . 0.0 111.607 169.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 t -151.52 68.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 -168.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -68.01 115.85 7.98 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -176.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.5 mt -123.26 125.29 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.281 1.033 . . . . 0.0 110.804 -170.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mp -135.45 94.62 3.13 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 127.407 2.283 . . . . 0.0 109.339 -168.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 48.16 -101.66 0.08 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 125.256 1.422 . . . . 0.0 112.451 -174.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.68 -4.16 87.67 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 126.023 1.773 . . . . 0.0 115.584 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -117.89 151.92 36.43 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 118.986 1.393 . . . . 0.0 112.402 -168.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.28 139.22 45.56 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 126.585 1.954 . . . . 0.0 109.12 174.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -130.8 79.9 1.92 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 175.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 t -71.45 156.22 7.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 113.445 -1.707 . . . . 0.0 107.41 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -151.13 148.11 27.88 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -169.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -126.62 157.89 37.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.882 170.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -84.77 -4.81 59.23 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.78 -0.575 . . . . 0.0 112.341 173.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.39 163.97 31.5 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.197 1.399 . . . . 0.0 112.611 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.5 -8.23 53.3 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -171.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -79.76 -40.06 29.61 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.364 1.438 . . . . 0.0 111.814 -178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.1 t -61.86 -36.53 81.51 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.425 0.557 . . . . 0.0 110.95 168.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.7 -49.58 67.98 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.598 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.79 -50.61 63.25 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.641 1.176 . . . . 0.0 112.155 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -68.18 -41.33 81.62 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 117.668 -1.158 . . . . 0.0 112.55 175.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.08 78.09 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.587 1.085 . . . . 0.0 109.833 177.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.9 mt -53.0 -60.2 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.618 1.167 . . . . 0.0 110.247 173.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -63.34 -25.07 68.13 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -79.33 -39.33 33.01 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.058 1.743 . . . . 0.0 112.824 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.7 p -150.65 -2.28 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 116.613 2.079 . . . . 0.0 116.613 -167.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -66.09 121.73 15.81 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 119.169 -2.207 . . . . 0.0 112.434 168.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.95 -3.98 83.03 Favored Glycine 0 N--CA 1.47 0.906 0 C-N-CA 124.061 0.839 . . . . 0.0 112.461 169.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -75.73 143.37 42.1 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 126.869 2.068 . . . . 0.0 106.982 168.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 42.5 t -91.38 120.89 32.63 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.239 0.543 . . . . 0.0 112.178 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -112.73 142.47 45.31 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.237 170.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 58.21 -53.43 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 129.389 3.075 . . . . 0.0 115.247 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -157.29 -9.96 0.09 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.621 1.968 . . . . 0.0 114.346 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -159.46 161.73 26.71 Favored Pre-proline 0 CA--C 1.55 0.954 0 CA-C-N 120.148 1.34 . . . . 0.0 111.555 -169.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -78.75 146.05 20.71 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 N-CA-C 117.002 1.885 . . . . 0.0 117.002 -172.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.26 152.35 45.1 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.939 2.096 . . . . 0.0 112.556 172.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -122.57 50.56 1.48 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 124.904 2.288 . . . . 0.0 109.565 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.49 99.47 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 127.974 2.51 . . . . 0.0 107.053 -178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.637 ' CG1' ' H ' ' A' ' 99' ' ' TYR 0.286 1.2 p -156.52 -115.76 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 120.692 1.587 . . . . 0.0 113.488 -163.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.637 ' H ' ' CG1' ' A' ' 98' ' ' VAL . 5.7 m-85 -117.0 13.96 14.94 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 128.556 2.742 . . . . 0.0 110.189 171.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.424 ' CB ' ' HB2' ' A' ' 35' ' ' PHE 0.312 18.1 t 39.74 84.59 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 130.105 3.362 . . . . 0.0 116.686 -170.379 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -54.26 95.7 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.981 2.113 . . . . 0.0 111.656 168.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -49.4 -45.46 77.1 Favored Pre-proline 0 CA--C 1.554 1.113 0 C-N-CA 125.181 1.392 . . . . 0.0 114.526 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -70.93 90.87 0.63 Allowed 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 122.783 2.322 . . . . 0.0 113.176 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 C-N-CA 129.376 3.07 . . . . 0.0 115.416 171.154 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 119.034 -0.507 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.9 -63.6 0.38 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 127.19 2.196 . . . . 0.0 113.849 169.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -165.9 -16.24 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 128.908 2.883 . . . . 0.0 112.013 175.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.411 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.6 OUTLIER 65.21 -12.77 0.13 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 128.498 2.719 . . . . 0.0 117.178 179.759 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 p -141.65 25.4 2.0 Allowed 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 117.779 2.511 . . . . 0.0 117.779 -164.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -126.71 126.16 43.03 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -168.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.61 103.18 12.57 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.56 -1.2 . . . . 0.0 109.356 -170.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -93.35 101.02 13.25 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 124.633 2.159 . . . . 0.0 107.465 -172.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.254 49.2 t -130.51 91.69 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 112.01 -2.359 . . . . 0.0 109.156 -158.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -126.26 16.13 0.07 OUTLIER Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -169.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -69.85 -30.52 21.74 Favored 'Trans proline' 0 C--N 1.354 0.823 0 CA-C-N 122.574 1.955 . . . . 0.0 114.032 -176.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -83.57 162.38 53.46 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 125.677 1.591 . . . . 0.0 113.654 -168.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -77.78 -169.79 0.82 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 122.652 2.235 . . . . 0.0 111.01 165.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.434 ' H ' ' CD2' ' A' ' 41' ' ' LEU . 1.1 mm? -50.31 -23.35 2.25 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.288 1.835 . . . . 0.0 114.037 177.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.54 -16.09 63.76 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.873 1.669 . . . . 0.0 115.097 -175.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.7 p -68.96 139.47 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-N 120.889 1.677 . . . . 0.0 109.163 168.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -149.97 172.01 15.9 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.726 1.21 . . . . 0.0 108.722 -177.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.42 -31.76 55.94 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 118.705 -0.664 . . . . 0.0 112.065 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -60.32 -36.75 78.64 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 172.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -80.65 -41.27 24.1 Favored 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 125.443 1.497 . . . . 0.0 108.737 -176.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 mt -63.57 -35.85 81.85 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.174 170.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.78 -42.31 97.77 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 119.925 -1.735 . . . . 0.0 111.816 172.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -62.31 -39.74 94.0 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 174.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.1 mt -84.88 -36.4 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 123.658 0.783 . . . . 0.0 111.98 -173.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.466 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 19.9 m-85 -106.4 -21.71 13.01 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.52 1.528 . . . . 0.0 113.398 -170.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.73 -33.61 35.04 Favored Glycine 0 CA--C 1.544 1.857 0 CA-C-O 117.588 -1.673 . . . . 0.0 114.927 168.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.24 -26.62 83.04 Favored 'Trans proline' 0 C--N 1.358 1.038 0 CA-C-N 121.482 2.641 . . . . 0.0 114.203 170.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.466 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.8 m-30 -78.92 -44.73 22.03 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.609 0.763 . . . . 0.0 109.987 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.65 -80.21 0.34 Allowed Glycine 0 CA--C 1.528 0.882 0 CA-C-N 114.723 -1.126 . . . . 0.0 113.122 167.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -58.61 137.17 78.68 Favored 'Trans proline' 0 CA--C 1.548 1.209 0 C-N-CA 122.821 2.347 . . . . 0.0 111.849 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.4 mtp -153.24 53.82 0.75 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 127.955 2.502 . . . . 0.0 109.803 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -29.49 11.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 113.336 -1.757 . . . . 0.0 114.248 -174.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.49 158.32 37.02 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-O 122.18 0.99 . . . . 0.0 111.693 176.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 t -153.77 70.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 112.933 -1.94 . . . . 0.0 107.325 -167.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.86 117.73 11.81 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.9 mt -124.74 120.5 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.843 0.857 . . . . 0.0 109.756 -173.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.8 mp -127.99 96.74 4.57 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 126.933 2.093 . . . . 0.0 109.353 -167.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 52.21 -90.79 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.217 1.407 . . . . 0.0 112.362 -173.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.95 4.03 35.91 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 126.652 2.072 . . . . 0.0 115.918 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -115.96 150.99 36.28 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.135 1.468 . . . . 0.0 111.211 -172.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.21 139.51 49.72 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 126.043 1.737 . . . . 0.0 109.958 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.81 79.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 176.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.5 t -69.61 156.27 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 113.258 -1.792 . . . . 0.0 107.415 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -154.8 141.99 19.42 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.896 -1.149 . . . . 0.0 107.896 -168.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -127.66 154.73 44.93 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 122.625 1.202 . . . . 0.0 114.033 -173.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -78.67 -11.14 59.96 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.444 1.898 . . . . 0.0 114.187 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.99 173.81 13.42 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.857 2.063 . . . . 0.0 111.172 175.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.66 8.65 44.28 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -171.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -93.37 -42.01 9.52 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.67 1.188 . . . . 0.0 112.702 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.5 t -60.86 -36.13 78.38 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 167.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.12 -51.38 54.76 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.805 174.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.06 -48.21 67.84 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.446 1.021 . . . . 0.0 112.233 176.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -37.99 69.91 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 117.487 -1.244 . . . . 0.0 113.174 175.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.85 -45.47 78.44 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 119.866 1.212 . . . . 0.0 109.677 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.0 mt -53.87 -59.4 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.442 1.097 . . . . 0.0 110.54 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -63.55 -22.04 66.68 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -85.52 -37.15 19.98 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.415 1.886 . . . . 0.0 112.887 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.0 p -151.84 -4.8 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 N-CA-C 116.38 1.992 . . . . 0.0 116.38 -167.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -65.03 119.41 10.71 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 118.844 -2.41 . . . . 0.0 112.604 168.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.88 0.02 78.77 Favored Glycine 0 N--CA 1.473 1.161 0 C-N-CA 123.673 0.654 . . . . 0.0 112.092 169.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -82.0 137.68 35.05 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 127.152 2.181 . . . . 0.0 107.98 171.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.9 p -82.66 92.91 7.25 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 124.356 1.063 . . . . 0.0 112.096 -172.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -86.75 138.37 31.67 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.544 -0.722 . . . . 0.0 111.256 173.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 56.17 -55.62 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 129.241 3.016 . . . . 0.0 116.323 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -153.57 -12.3 0.15 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.989 2.115 . . . . 0.0 113.747 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -157.5 160.97 30.01 Favored Pre-proline 0 N--CA 1.478 0.943 0 CA-C-N 119.82 1.191 . . . . 0.0 112.008 -171.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -77.69 152.96 29.65 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 N-CA-C 115.359 1.254 . . . . 0.0 115.359 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.92 158.57 31.87 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.577 1.951 . . . . 0.0 113.345 173.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -123.11 50.79 1.51 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 124.447 2.07 . . . . 0.0 109.947 169.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.58 99.52 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 126.532 1.933 . . . . 0.0 106.58 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.584 HG13 ' H ' ' A' ' 99' ' ' TYR 0.258 0.8 OUTLIER -157.43 -127.32 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 121.008 1.731 . . . . 0.0 112.659 -164.533 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.584 ' H ' HG13 ' A' ' 98' ' ' VAL . 10.7 m-30 -104.69 13.82 30.81 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.711 2.404 . . . . 0.0 110.067 166.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . 0.311 28.6 t 40.94 80.43 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 129.721 3.208 . . . . 0.0 114.347 -168.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -46.68 -47.73 20.27 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.345 1.458 . . . . 0.0 114.381 -168.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 164.88 157.56 0.08 OUTLIER Pre-proline 0 CA--C 1.554 1.129 1 C-N-CA 132.266 4.226 . . . . 0.0 108.99 -176.582 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -58.81 -1.66 0.85 Allowed 'Trans proline' 0 CA--C 1.548 1.202 0 C-N-CA 125.27 3.98 . . . . 0.0 119.442 -173.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.227 0 C-N-CA 125.413 1.485 . . . . 0.0 113.155 -178.548 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 110.806 -0.072 . . . . 0.0 110.806 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.404 ' CD1' ' H ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -146.92 170.56 16.82 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.73 1.612 . . . . 0.0 110.232 -179.43 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.404 ' H ' ' CD1' ' A' ' 29' ' ' LEU . 6.7 m -58.69 -10.78 2.52 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.301 1.84 . . . . 0.0 115.302 173.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.28 7.0 p30 48.22 0.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 130.824 3.65 . . . . 0.0 120.315 169.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.5 p -145.38 18.3 1.53 Allowed 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.234 1.379 . . . . 0.0 114.201 -170.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -125.99 134.17 51.56 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 -163.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.454 ' HA ' ' H ' ' A' ' 98' ' ' VAL . 0.2 OUTLIER -111.4 104.06 12.48 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 113.273 -1.785 . . . . 0.0 110.848 -167.44 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -97.47 99.62 11.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 124.343 2.021 . . . . 0.0 108.687 -169.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 m -136.3 129.69 46.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.076 -1.42 . . . . 0.0 108.822 -168.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.63 8.25 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.941 0 N-CA-C 119.938 3.31 . . . . 0.0 119.938 -167.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -47.76 -49.29 13.88 Favored 'Trans proline' 0 C--N 1.355 0.917 0 CA-C-N 123.99 2.461 . . . . 0.0 115.636 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.13 141.71 98.37 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 128.959 2.904 . . . . 0.0 115.348 -168.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -60.38 -162.47 0.03 OUTLIER 'Trans proline' 0 CA--C 1.554 1.486 0 C-N-CA 124.745 3.63 . . . . 0.0 113.273 164.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.61 31.82 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.836 2.054 . . . . 0.0 113.635 172.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -126.37 -19.33 4.68 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 116.48 2.03 . . . . 0.0 116.48 -169.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.2 p -63.21 151.88 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-N 119.666 1.121 . . . . 0.0 109.649 168.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -142.78 165.69 26.7 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 123.71 0.804 . . . . 0.0 110.372 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.21 -24.29 6.99 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 169.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.7 m -72.7 -34.88 67.44 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.718 1.607 . . . . 0.0 113.477 172.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -73.93 -42.78 60.09 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 120.861 -1.149 . . . . 0.0 108.067 177.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.54 -31.15 71.05 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.605 173.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.47 -41.4 97.18 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 119.013 -2.305 . . . . 0.0 112.069 169.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -65.43 -34.84 79.23 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 172.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.4 mt -86.06 -39.89 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.709 0.804 . . . . 0.0 112.676 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.476 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 48.4 m-85 -108.36 -22.15 12.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.403 1.881 . . . . 0.0 113.39 -169.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.58 -33.36 47.87 Favored Glycine 0 CA--C 1.542 1.742 0 CA-C-O 117.583 -1.676 . . . . 0.0 115.057 168.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -58.86 -28.07 86.11 Favored 'Trans proline' 0 C--N 1.359 1.118 0 CA-C-N 121.305 2.553 . . . . 0.0 114.336 170.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.0 m-30 -80.85 -43.72 19.53 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.798 0.839 . . . . 0.0 110.749 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.69 -69.83 0.41 Allowed Glycine 0 CA--C 1.533 1.202 0 N-CA-C 116.475 1.35 . . . . 0.0 116.475 168.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -85.55 36.05 0.52 Allowed 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.431 2.754 . . . . 0.0 115.545 -166.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.7 ptp -48.07 103.83 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 CA-C-N 120.092 1.315 . . . . 0.0 110.253 167.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.95 -27.92 8.99 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 127.659 2.384 . . . . 0.0 112.271 -166.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -141.85 153.59 44.57 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 123.652 0.781 . . . . 0.0 110.115 168.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 t -151.56 65.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 -168.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -70.47 118.03 12.76 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.0 mt -126.54 125.81 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-O 122.04 0.924 . . . . 0.0 110.437 -174.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 mp -130.88 -173.68 3.16 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 128.488 2.715 . . . . 0.0 109.207 -172.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -48.8 41.5 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.371 1 C-N-CA 133.301 4.64 . . . . 0.0 118.518 -173.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.87 22.11 9.68 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 126.281 1.896 . . . . 0.0 112.21 -167.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -133.17 148.16 52.06 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.508 1.154 . . . . 0.0 111.194 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.13 131.17 36.53 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 126.055 1.742 . . . . 0.0 108.502 173.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -121.92 79.8 1.62 Allowed 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 104.45 -2.426 . . . . 0.0 104.45 174.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -68.74 163.33 3.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 113.256 -1.793 . . . . 0.0 107.428 172.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -156.48 155.2 31.6 Favored 'General case' 0 C--N 1.313 -1.0 0 O-C-N 121.295 -0.878 . . . . 0.0 108.96 -173.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.471 ' CD2' ' HB3' ' A' ' 77' ' ' SER . 14.1 m-85 -128.66 165.34 21.03 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 124.539 1.135 . . . . 0.0 111.134 173.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -97.64 17.26 18.22 Favored 'General case' 0 CA--C 1.557 1.212 0 CA-C-O 121.935 0.874 . . . . 0.0 109.916 167.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -139.05 103.01 4.67 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 128.298 2.639 . . . . 0.0 109.927 -169.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.49 -30.57 63.11 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.025 0.93 . . . . 0.0 112.799 173.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -69.0 -23.08 64.05 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.094 -1.004 . . . . 0.0 112.944 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.471 ' HB3' ' CD2' ' A' ' 72' ' ' PHE . 7.2 t -76.22 -34.1 59.25 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 119.174 0.897 . . . . 0.0 111.921 169.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.45 -48.48 80.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.148 169.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.85 -51.37 30.04 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.758 1.163 . . . . 0.0 112.745 171.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -68.96 -42.92 76.0 Favored 'General case' 0 C--N 1.346 0.417 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.7 88.82 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.269 1.028 . . . . 0.0 109.555 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.3 mt -56.98 -58.77 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 124.316 1.046 . . . . 0.0 109.943 174.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -63.4 -27.18 69.13 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -177.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.99 -44.61 47.18 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.855 1.262 . . . . 0.0 112.482 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.4 p -152.83 10.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 -165.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -74.28 121.45 21.31 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 119.377 -2.077 . . . . 0.0 111.242 168.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.61 -3.45 86.25 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 125.023 1.297 . . . . 0.0 111.999 176.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.29 136.23 35.76 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 127.699 2.4 . . . . 0.0 108.302 171.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.7 p -77.95 116.52 18.51 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 125.408 1.483 . . . . 0.0 111.963 -173.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -114.25 142.93 45.65 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.973 -0.455 . . . . 0.0 111.464 169.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.25 -59.15 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 128.268 2.627 . . . . 0.0 116.921 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -155.08 -1.15 0.16 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.232 2.213 . . . . 0.0 113.504 -172.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.92 165.2 1.86 Allowed Pre-proline 0 N--CA 1.487 1.417 0 CA-C-N 120.001 1.273 . . . . 0.0 112.786 -178.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -76.68 165.95 27.97 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 122.081 1.854 . . . . 0.0 116.454 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.85 145.76 29.94 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.228 3.011 . . . . 0.0 112.935 -171.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.15 52.6 0.86 Allowed 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 124.998 2.333 . . . . 0.0 110.686 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 59.0 t -60.06 107.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 113.482 -1.69 . . . . 0.0 107.981 172.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.454 ' H ' ' HA ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -158.81 -140.44 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 117.609 -1.636 . . . . 0.0 115.401 -165.259 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.401 ' H ' ' CG1' ' A' ' 98' ' ' VAL . 7.0 m-85 -106.53 67.57 0.73 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 104.303 -2.481 . . . . 0.0 104.303 165.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.2 t -35.08 140.28 0.08 Allowed 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 117.325 2.342 . . . . 0.0 117.325 -168.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -67.82 43.63 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 128.028 2.531 . . . . 0.0 113.835 171.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.1 tp -145.62 123.36 6.29 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.827 1.651 . . . . 0.0 109.77 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -90.46 -5.33 4.7 Favored 'Trans proline' 0 CA--C 1.549 1.238 0 C-N-CA 123.856 3.038 . . . . 0.0 115.039 -174.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.413 0 C-N-CA 126.02 1.728 . . . . 0.0 111.704 -173.411 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 119.348 -0.358 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.91 -65.91 0.2 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 128.495 2.718 . . . . 0.0 113.192 178.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.6 m -165.59 -12.85 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 128.505 2.722 . . . . 0.0 111.815 175.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.301 0.2 OUTLIER 53.02 -13.57 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 119.368 3.099 . . . . 0.0 119.368 175.383 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.1 p -144.13 31.91 1.24 Allowed 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 116.774 2.138 . . . . 0.0 116.774 -167.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.432 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 7.0 mtt180 -136.15 129.77 32.25 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 120.958 1.708 . . . . 0.0 114.827 -167.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.408 ' HA ' ' H ' ' A' ' 98' ' ' VAL . 0.2 OUTLIER -111.5 120.41 42.03 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.886 -1.134 . . . . 0.0 112.585 -169.137 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -108.3 102.28 11.42 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 125.04 2.353 . . . . 0.0 105.483 -169.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.308 12.6 t -128.16 103.32 9.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 111.788 -2.46 . . . . 0.0 106.66 -160.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.8 ptt85 -138.28 1.25 0.03 OUTLIER Pre-proline 0 CA--C 1.555 1.157 0 N-CA-C 120.054 3.353 . . . . 0.0 120.054 -164.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -54.46 -38.47 89.78 Favored 'Trans proline' 0 C--N 1.356 0.936 0 CA-C-N 123.899 2.428 . . . . 0.0 116.431 176.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.87 162.09 76.15 Favored Pre-proline 0 CA--C 1.535 0.366 0 C-N-CA 126.925 2.09 . . . . 0.0 113.752 -168.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -79.6 -175.39 2.7 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 122.21 1.94 . . . . 0.0 111.535 166.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.6 mp -50.91 -21.93 1.98 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.531 1.933 . . . . 0.0 113.958 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -63.56 -19.68 65.0 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.404 1.882 . . . . 0.0 114.529 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.08 140.0 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 120.821 1.646 . . . . 0.0 111.422 173.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -150.32 171.99 16.1 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 126.247 1.819 . . . . 0.0 109.587 -170.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.41 -29.3 34.2 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-O 118.306 -0.854 . . . . 0.0 112.205 173.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.3 p -66.89 -35.0 79.02 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 120.604 1.547 . . . . 0.0 114.318 173.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.34 -45.4 39.67 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 124.536 2.112 . . . . 0.0 107.996 -176.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.78 -37.25 86.97 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 112.569 -2.105 . . . . 0.0 109.696 171.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -61.68 -40.35 94.67 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.255 -1.528 . . . . 0.0 111.861 173.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -61.24 -40.73 95.14 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 172.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 91.6 mt -82.44 -41.04 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -176.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.445 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 37.3 m-85 -102.02 -23.82 14.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.158 2.183 . . . . 0.0 114.008 -169.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -48.74 -33.41 12.66 Favored Glycine 0 CA--C 1.543 1.829 0 CA-C-O 117.583 -1.676 . . . . 0.0 115.144 171.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -63.06 -22.73 73.62 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 CA-C-N 121.544 2.672 . . . . 0.0 114.89 172.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.445 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 4.7 m-30 -80.25 -53.31 6.77 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.077 0.853 . . . . 0.0 111.93 -172.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.25 -118.0 0.8 Allowed Glycine 0 CA--C 1.536 1.38 0 CA-C-O 119.001 -0.888 . . . . 0.0 115.159 -168.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -77.77 -34.92 1.63 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.067 2.511 . . . . 0.0 117.186 -166.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.8 ptm 33.63 60.67 0.49 Allowed 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 123.717 1.723 . . . . 0.0 112.795 -170.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -30.95 70.1 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 127.989 2.516 . . . . 0.0 114.935 -167.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -141.2 152.23 44.45 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.456 0.646 . . . . 0.0 110.692 168.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.6 t -151.2 76.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 124.413 1.085 . . . . 0.0 108.421 -166.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -83.23 123.01 29.16 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.158 -173.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.5 mm -116.17 126.46 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.674 1.59 . . . . 0.0 111.627 -169.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mp -135.63 -177.37 4.64 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 127.384 2.274 . . . . 0.0 110.142 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -53.75 40.59 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.476 1 C-N-CA 132.317 4.247 . . . . 0.0 118.634 -170.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.99 6.24 12.71 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 126.45 1.976 . . . . 0.0 112.026 -168.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -130.14 147.18 51.85 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 118.141 0.971 . . . . 0.0 111.424 -170.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.56 135.29 40.21 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 126.671 1.988 . . . . 0.0 108.438 177.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -127.69 83.12 2.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 177.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.8 t -76.3 160.6 4.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 113.217 -1.81 . . . . 0.0 107.763 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -156.73 149.55 23.75 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 121.506 -0.746 . . . . 0.0 109.619 -168.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -128.66 152.9 47.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.629 1.204 . . . . 0.0 112.263 174.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -75.12 -13.69 60.5 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 114.422 -1.263 . . . . 0.0 112.507 169.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -136.13 146.14 46.62 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.32 1.848 . . . . 0.0 113.511 -169.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.29 -24.46 54.41 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -175.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -70.35 -38.27 74.77 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.43 1.014 . . . . 0.0 111.554 -177.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.9 t -65.32 -34.55 78.61 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 121.472 -0.768 . . . . 0.0 112.576 170.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.76 -50.5 50.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 118.988 0.813 . . . . 0.0 111.838 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.1 -47.83 68.28 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.594 1.157 . . . . 0.0 112.1 173.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -68.83 -40.65 79.33 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 118.202 -0.904 . . . . 0.0 112.519 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.66 -46.16 81.23 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 119.162 0.892 . . . . 0.0 110.133 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 9.6 mt -53.9 -57.62 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 121.268 -0.895 . . . . 0.0 110.35 173.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -65.14 -23.94 67.27 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -82.85 -35.49 26.25 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.954 1.702 . . . . 0.0 112.957 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.1 p -150.96 -8.78 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 -166.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -62.76 114.93 3.9 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 119.203 -2.185 . . . . 0.0 112.106 169.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.05 0.01 62.08 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.236 0.922 . . . . 0.0 112.507 170.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -84.22 137.57 33.42 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 127.164 2.186 . . . . 0.0 108.211 175.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.4 p -83.41 97.14 8.8 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.702 1.201 . . . . 0.0 111.96 -171.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -91.12 142.94 27.2 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.16 -0.963 . . . . 0.0 112.027 170.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.36 -63.54 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 128.389 2.676 . . . . 0.0 115.774 -175.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -151.79 -1.25 0.32 Allowed 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.152 1.781 . . . . 0.0 114.426 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -159.56 162.67 24.89 Favored Pre-proline 0 N--CA 1.477 0.886 0 CA-C-N 119.843 1.201 . . . . 0.0 111.908 -174.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -81.16 152.8 18.59 Favored 'Trans proline' 0 C--N 1.349 0.569 0 N-CA-C 116.013 1.505 . . . . 0.0 116.013 -174.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.32 158.68 35.36 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.368 1.867 . . . . 0.0 112.475 169.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -135.37 52.88 2.0 Allowed 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 125.606 2.622 . . . . 0.0 108.641 -176.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 51.7 t -73.42 106.92 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 129.626 3.17 . . . . 0.0 108.008 -175.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.558 ' CG1' ' H ' ' A' ' 99' ' ' TYR 0.279 2.1 p -157.91 -121.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 121.5 1.955 . . . . 0.0 115.807 -162.2 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.558 ' H ' ' CG1' ' A' ' 98' ' ' VAL . 10.5 m-30 -116.12 45.3 1.78 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 128.498 2.719 . . . . 0.0 108.649 172.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.432 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 17.4 m -49.42 114.47 1.04 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 117.843 2.535 . . . . 0.0 117.843 -167.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp 35.79 87.03 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 128.019 2.528 . . . . 0.0 115.843 167.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.7 tt -43.04 -57.84 4.68 Favored Pre-proline 0 CA--C 1.553 1.07 0 C-N-CA 126.294 1.838 . . . . 0.0 114.876 177.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.74 121.23 8.12 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.093 1.862 . . . . 0.0 112.353 -173.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 C-N-CA 127.087 2.155 . . . . 0.0 114.125 -173.295 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 119.042 -0.504 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.47 -77.29 0.28 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.149 0.98 . . . . 0.0 109.299 168.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.3 m -178.9 -35.72 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 128.21 2.604 . . . . 0.0 111.004 170.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.439 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.7 OUTLIER 61.65 6.26 1.5 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.393 2.277 . . . . 0.0 114.989 -171.015 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.6 p -148.21 22.6 1.07 Allowed 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 -165.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -136.64 124.23 22.29 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 123.273 2.76 . . . . 0.0 116.261 -170.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.491 ' HA ' ' H ' ' A' ' 98' ' ' VAL . 0.2 OUTLIER -104.15 107.36 18.22 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 120.139 -1.601 . . . . 0.0 112.514 -167.84 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -102.6 97.3 7.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 124.377 2.036 . . . . 0.0 111.239 -169.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -128.14 127.28 67.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 122.855 1.312 . . . . 0.0 108.636 -169.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 ptt-85 -147.08 20.79 0.04 OUTLIER Pre-proline 0 CA--C 1.55 0.98 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 -165.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -75.5 -21.64 14.74 Favored 'Trans proline' 0 C--N 1.352 0.754 0 CA-C-N 122.478 1.921 . . . . 0.0 114.304 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.57 159.02 47.6 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 125.747 1.619 . . . . 0.0 113.611 -168.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.38 -178.33 3.59 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 123.147 2.565 . . . . 0.0 110.489 167.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mp -55.44 -17.46 5.15 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.11 1.364 . . . . 0.0 114.101 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.17 -21.49 65.12 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.474 1.909 . . . . 0.0 114.973 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.8 p -64.7 145.09 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 120.372 1.442 . . . . 0.0 111.326 173.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -164.46 176.02 9.4 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 124.751 1.22 . . . . 0.0 110.3 -175.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.09 -30.19 64.12 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 117.666 -1.159 . . . . 0.0 113.249 -169.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 p -64.13 -33.29 75.45 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 121.446 1.93 . . . . 0.0 114.422 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -81.52 -42.44 20.2 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 125.888 1.675 . . . . 0.0 108.222 -176.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.66 -36.43 83.8 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.479 -1.237 . . . . 0.0 109.994 169.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -62.53 -41.59 98.97 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 119.978 -1.701 . . . . 0.0 112.134 173.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -59.73 -40.5 88.24 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 172.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.3 mt -83.8 -42.09 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -175.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.455 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 35.8 m-85 -103.54 -25.8 13.07 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.288 1.835 . . . . 0.0 113.735 -169.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -48.92 -34.7 16.24 Favored Glycine 0 CA--C 1.544 1.898 0 CA-C-O 117.589 -1.673 . . . . 0.0 114.846 171.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.01 -26.14 81.58 Favored 'Trans proline' 0 C--N 1.359 1.114 0 CA-C-N 121.42 2.61 . . . . 0.0 114.966 171.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 3.4 m-30 -74.29 -40.42 62.29 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.155 0.888 . . . . 0.0 111.035 -178.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.34 -76.72 0.37 Allowed Glycine 0 CA--C 1.529 0.958 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.515 169.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -78.77 159.22 28.02 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.416 2.744 . . . . 0.0 111.706 175.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 48.4 mtp -150.87 55.8 0.9 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.39 2.276 . . . . 0.0 108.003 168.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.414 ' HB3' ' HA ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -48.59 -31.65 6.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 113.121 -1.854 . . . . 0.0 112.457 -174.521 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -158.27 159.47 36.02 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.79 0.805 . . . . 0.0 112.413 171.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.7 t -151.59 80.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 -168.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 119.6 17.81 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 175.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 58.4 mt -129.22 126.75 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.829 1.195 . . . . 0.0 111.938 -173.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -135.53 -168.17 2.15 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 127.84 2.456 . . . . 0.0 110.034 -172.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -45.82 29.76 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.65 1 C-N-CA 134.828 5.251 . . . . 0.0 120.223 -172.086 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.24 13.5 8.27 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 127.169 2.319 . . . . 0.0 110.89 -166.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -129.88 146.21 51.6 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.226 0.611 . . . . 0.0 111.627 -168.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.93 129.98 26.61 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 125.077 1.351 . . . . 0.0 109.38 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.48 78.64 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.7 t -70.79 161.2 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 113.428 -1.714 . . . . 0.0 107.849 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -152.01 148.31 27.56 Favored 'General case' 0 C--O 1.244 0.803 0 O-C-N 121.263 -0.898 . . . . 0.0 109.418 -170.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 59' ' ' LYS . 21.6 m-85 -127.55 166.57 17.75 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.134 1.374 . . . . 0.0 113.013 -177.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -113.04 17.03 19.13 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.795 1.638 . . . . 0.0 110.243 167.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -139.91 99.26 3.65 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 128.094 2.558 . . . . 0.0 108.165 -171.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.22 -27.5 67.23 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.585 -0.697 . . . . 0.0 112.829 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -65.85 -26.75 67.79 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.492 -0.755 . . . . 0.0 112.527 171.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.461 ' HA ' ' CE ' ' A' ' 80' ' ' LYS . 8.5 t -74.1 -36.09 64.23 Favored 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 121.108 -0.995 . . . . 0.0 112.083 170.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.44 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 119.569 1.077 . . . . 0.0 110.454 172.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.84 -51.0 55.48 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.254 1.022 . . . . 0.0 112.835 172.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.461 ' CE ' ' HA ' ' A' ' 77' ' ' SER . 1.8 ptpt -70.14 -40.36 74.84 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.62 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.61 -42.79 83.97 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 118.943 0.792 . . . . 0.0 109.619 176.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.1 mt -56.57 -59.62 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.962 0.905 . . . . 0.0 110.263 173.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -62.69 -28.09 69.7 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -177.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.52 -42.81 58.26 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.515 1.526 . . . . 0.0 112.592 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.8 p -155.58 6.1 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -165.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -68.9 120.29 14.56 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 119.324 -2.11 . . . . 0.0 111.814 168.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.05 -5.63 81.7 Favored Glycine 0 N--CA 1.473 1.144 0 C-N-CA 124.932 1.254 . . . . 0.0 112.429 170.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -73.74 136.77 43.7 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 127.668 2.387 . . . . 0.0 108.26 168.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.0 p -77.47 100.54 6.06 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.954 1.302 . . . . 0.0 111.115 -178.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -94.82 146.68 24.03 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.625 -0.672 . . . . 0.0 110.534 171.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.99 -61.32 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 127.14 2.176 . . . . 0.0 114.996 -176.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -155.31 -2.81 0.15 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.322 1.849 . . . . 0.0 114.585 170.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -159.89 163.05 23.54 Favored Pre-proline 0 CA--C 1.55 0.961 0 CA-C-N 120.541 1.519 . . . . 0.0 111.827 -172.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -81.39 167.02 17.69 Favored 'Trans proline' 0 C--N 1.348 0.505 0 N-CA-C 118.043 2.286 . . . . 0.0 118.043 -169.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mp -102.85 144.81 30.69 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 130.067 3.347 . . . . 0.0 112.267 -173.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -119.32 50.68 1.21 Allowed 'General case' 0 N--CA 1.481 1.113 0 CA-C-O 124.795 2.236 . . . . 0.0 110.26 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.04 105.02 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 C-N-CA 126.612 1.965 . . . . 0.0 108.301 174.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.554 ' CG1' ' H ' ' A' ' 99' ' ' TYR 0.301 0.8 OUTLIER -153.27 -127.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.532 0 C-N-CA 117.572 -1.651 . . . . 0.0 114.664 -165.712 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.554 ' H ' ' CG1' ' A' ' 98' ' ' VAL . 12.8 m-85 -115.21 18.01 16.38 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 127.611 2.364 . . . . 0.0 110.526 173.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.7 t 7.77 56.72 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 130.735 3.614 . . . . 0.0 118.329 -171.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -162.19 168.14 22.94 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.378 -1.451 . . . . 0.0 112.041 176.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -74.69 162.98 71.32 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 124.113 0.965 . . . . 0.0 111.289 168.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -64.45 102.56 0.4 Allowed 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 123.694 2.929 . . . . 0.0 111.222 170.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.986 0 C-N-CA 127.454 2.302 . . . . 0.0 109.75 -178.762 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 120.43 0.157 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.85 167.43 22.15 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.209 1.803 . . . . 0.0 110.44 177.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.8 m -68.08 -14.75 63.22 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.874 1.67 . . . . 0.0 114.825 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.501 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 26.6 m-20 49.84 11.69 0.06 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 129.828 3.251 . . . . 0.0 117.78 177.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.3 p -150.27 25.55 0.8 Allowed 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -166.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -138.73 127.92 24.14 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 -166.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.445 ' HA ' ' H ' ' A' ' 98' ' ' VAL . 0.1 OUTLIER -100.69 104.43 15.72 Favored 'General case' 0 N--CA 1.443 -0.805 0 O-C-N 120.941 -1.099 . . . . 0.0 110.172 -170.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -98.28 103.1 15.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 123.941 1.829 . . . . 0.0 110.059 -172.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -138.14 127.64 33.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 122.774 1.273 . . . . 0.0 109.139 -167.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.97 22.28 0.04 OUTLIER Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 -167.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -70.02 -36.8 9.47 Favored 'Trans proline' 0 C--N 1.353 0.78 0 CA-C-N 121.997 1.749 . . . . 0.0 113.392 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -73.36 155.92 89.39 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 126.751 2.02 . . . . 0.0 114.258 -168.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -75.12 -173.64 1.66 Allowed 'Trans proline' 0 CA--C 1.549 1.227 0 C-N-CA 123.429 2.752 . . . . 0.0 110.544 166.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 mp -53.82 -18.02 2.9 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.724 1.61 . . . . 0.0 114.237 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.55 -23.05 66.79 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.802 2.041 . . . . 0.0 115.147 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.5 p -65.89 138.73 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 CA-C-N 120.519 1.509 . . . . 0.0 112.036 174.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -142.06 174.29 10.74 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.845 1.258 . . . . 0.0 109.731 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -59.7 -20.67 57.85 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 120.952 -1.093 . . . . 0.0 113.765 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -67.98 -35.25 78.03 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.086 1.354 . . . . 0.0 113.955 169.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -82.22 -39.4 23.14 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.331 1.453 . . . . 0.0 107.835 -177.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.1 mt -66.91 -29.96 69.98 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.368 169.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -61.68 -43.82 98.13 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 120.261 -1.524 . . . . 0.0 111.715 168.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -60.08 -34.39 73.39 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 170.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.0 mt -85.12 -40.77 15.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 123.635 0.774 . . . . 0.0 112.524 -174.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.412 ' HA ' ' CD2' ' A' ' 55' ' ' PHE . 69.7 m-85 -109.3 -22.65 11.96 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.658 1.583 . . . . 0.0 114.598 -169.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.04 -32.58 35.29 Favored Glycine 0 CA--C 1.541 1.66 0 CA-C-O 117.346 -1.808 . . . . 0.0 115.455 169.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -60.53 -24.39 78.02 Favored 'Trans proline' 0 C--N 1.361 1.2 0 CA-C-N 121.552 2.676 . . . . 0.0 114.574 173.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.412 ' CD2' ' HA ' ' A' ' 52' ' ' PHE . 3.4 m-85 -91.9 -45.04 8.57 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.643 1.177 . . . . 0.0 110.834 -177.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 129.43 -74.59 0.44 Allowed Glycine 0 CA--C 1.532 1.103 0 N-CA-C 117.337 1.695 . . . . 0.0 117.337 166.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -82.43 39.09 0.8 Allowed 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 123.771 2.98 . . . . 0.0 116.209 -165.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.04 97.59 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 125.366 1.466 . . . . 0.0 110.214 167.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.27 -24.0 10.91 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.181 1.792 . . . . 0.0 112.966 -167.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -142.46 156.96 45.22 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.348 1.059 . . . . 0.0 109.825 166.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 t -154.99 71.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 126.28 1.832 . . . . 0.0 107.756 -165.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -69.71 126.65 30.37 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 171.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 48.6 mt -128.52 123.27 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.915 0.886 . . . . 0.0 110.542 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -115.65 179.32 4.0 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 128.799 2.839 . . . . 0.0 109.028 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -57.03 47.51 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 130.1 3.36 . . . . 0.0 117.412 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.18 5.27 15.11 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 126.575 2.035 . . . . 0.0 113.492 -169.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -127.48 148.23 50.31 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.331 1.565 . . . . 0.0 110.584 -174.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -142.33 134.11 26.98 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 124.685 1.194 . . . . 0.0 109.795 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -129.11 81.77 2.04 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 -178.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.3 t -78.08 155.24 5.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 112.999 -1.909 . . . . 0.0 106.438 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -150.69 146.76 26.67 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 120.753 -1.217 . . . . 0.0 110.156 -166.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -133.11 168.88 17.71 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -173.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -95.98 -11.06 27.11 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -170.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.3 144.32 21.88 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.132 1.373 . . . . 0.0 110.276 -177.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.46 -16.39 64.19 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -170.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -51.4 -45.12 62.41 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.284 1.433 . . . . 0.0 113.967 168.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.1 p -67.31 -44.09 80.02 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 124.98 1.312 . . . . 0.0 112.0 -175.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.69 -49.42 73.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 117.904 -1.046 . . . . 0.0 110.911 170.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.33 -49.82 60.62 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 119.686 1.13 . . . . 0.0 111.897 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -44.5 76.51 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-O 118.169 -0.92 . . . . 0.0 112.84 175.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.25 85.67 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 119.671 1.123 . . . . 0.0 110.571 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.6 mt -54.6 -59.91 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 125.038 1.335 . . . . 0.0 110.596 171.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.42 -33.33 69.56 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -79.76 -39.03 31.9 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.631 1.572 . . . . 0.0 113.674 -174.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.6 p -149.2 1.61 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -166.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -73.45 130.09 39.37 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 119.575 -1.953 . . . . 0.0 111.395 168.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.72 -9.17 72.52 Favored Glycine 0 N--CA 1.472 1.079 0 C-N-CA 125.316 1.436 . . . . 0.0 111.73 172.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -76.82 136.95 38.95 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 127.7 2.4 . . . . 0.0 108.973 169.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.2 p -83.75 110.04 17.99 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 125.64 1.576 . . . . 0.0 111.921 -171.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -106.93 144.44 33.56 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 122.005 -0.434 . . . . 0.0 109.924 172.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 53.85 -60.87 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 128.099 2.56 . . . . 0.0 116.299 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -156.6 -5.31 0.11 Allowed 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 126.571 1.949 . . . . 0.0 113.685 -175.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -161.09 165.01 17.85 Favored Pre-proline 0 N--CA 1.476 0.848 0 CA-C-N 120.192 1.36 . . . . 0.0 112.479 177.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -75.09 152.77 40.76 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 N-CA-C 116.478 1.684 . . . . 0.0 116.478 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.8 141.58 31.27 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 129.87 3.268 . . . . 0.0 112.291 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -115.15 50.91 0.95 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 125.898 2.761 . . . . 0.0 109.742 -178.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.18 104.21 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.505 -0.755 0 C-N-CA 127.584 2.354 . . . . 0.0 106.733 -177.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.51 HG11 ' H ' ' A' ' 99' ' ' TYR 0.3 1.1 p -153.76 -128.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.259 0 C-N-CA 116.754 -1.978 . . . . 0.0 114.592 -164.016 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.51 ' H ' HG11 ' A' ' 98' ' ' VAL . 13.0 m-30 -109.58 16.02 22.48 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 127.661 2.384 . . . . 0.0 110.041 168.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . 0.345 31.3 t 36.67 14.61 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 131.605 3.962 . . . . 0.0 120.118 -170.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 91.9 mttt 60.84 5.57 0.99 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 116.211 1.93 . . . . 0.0 116.211 173.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -155.92 151.45 21.82 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 125.405 1.482 . . . . 0.0 112.832 176.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -88.87 -24.23 0.81 Allowed 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.677 2.918 . . . . 0.0 114.492 -178.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.847 0 C-N-CA 125.512 1.525 . . . . 0.0 111.745 178.55 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 67.93 -64.7 0.27 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 128.101 2.56 . . . . 0.0 112.173 -177.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.4 m -164.4 -20.38 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 128.526 2.731 . . . . 0.0 111.686 170.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 64.27 -15.85 0.08 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.612 2.365 . . . . 0.0 115.886 -177.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.401 ' HA ' ' CB ' ' A' ' 78' ' ' ALA . 49.4 p -138.45 32.16 2.31 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 119.054 2.983 . . . . 0.0 119.054 -165.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.534 ' HE ' ' CD ' ' A' ' 71' ' ' GLU . 6.1 mpt_? -132.92 135.53 45.61 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 121.293 1.861 . . . . 0.0 113.087 -174.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.427 ' HA ' ' H ' ' A' ' 98' ' ' VAL . 0.2 OUTLIER -114.05 125.74 54.33 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 119.951 -1.718 . . . . 0.0 112.911 -168.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -112.64 109.31 18.77 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 124.233 1.968 . . . . 0.0 105.943 -167.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.297 6.8 t -135.1 100.11 2.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 112.876 -1.965 . . . . 0.0 107.348 -159.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.79 7.73 0.03 OUTLIER Pre-proline 0 CA--C 1.551 1.003 0 N-CA-C 119.952 3.315 . . . . 0.0 119.952 -165.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -53.06 -41.91 68.45 Favored 'Trans proline' 0 C--N 1.356 0.963 0 CA-C-N 123.642 2.336 . . . . 0.0 114.843 170.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.88 154.49 94.64 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 126.53 1.932 . . . . 0.0 112.231 -170.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -78.13 -167.49 0.5 Allowed 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 121.597 1.532 . . . . 0.0 110.076 165.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mp -52.47 -14.23 0.46 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.012 1.725 . . . . 0.0 114.836 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -58.42 -33.2 69.42 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.173 2.189 . . . . 0.0 115.558 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -68.35 139.7 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 120.24 1.382 . . . . 0.0 111.967 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -143.16 175.57 9.77 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.817 1.247 . . . . 0.0 110.182 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -53.32 -32.36 48.57 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-O 118.131 -0.938 . . . . 0.0 112.836 176.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.9 p -65.96 -34.27 77.71 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.773 1.624 . . . . 0.0 114.289 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -80.65 -39.65 26.95 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.361 1.064 . . . . 0.0 108.734 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.8 mt -62.85 -39.16 93.53 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.694 168.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.05 -39.98 91.91 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.126 1.33 . . . . 0.0 112.052 174.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -62.21 -42.59 99.44 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 171.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 82.1 mt -80.55 -36.88 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.162 0.985 . . . . 0.0 112.947 -174.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.454 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 47.7 m-85 -106.28 -21.0 13.22 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.662 1.985 . . . . 0.0 114.006 -169.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -48.31 -33.11 10.69 Favored Glycine 0 CA--C 1.543 1.832 0 CA-C-O 117.218 -1.879 . . . . 0.0 115.0 169.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -63.0 -22.85 73.99 Favored 'Trans proline' 0 CA--C 1.546 1.094 0 CA-C-N 121.851 2.826 . . . . 0.0 114.433 172.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.454 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.9 m-30 -87.75 -40.83 13.76 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.352 1.061 . . . . 0.0 111.059 -173.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.62 -88.37 0.26 Allowed Glycine 0 CA--C 1.535 1.303 0 N-CA-C 118.491 2.156 . . . . 0.0 118.491 165.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -63.24 -35.57 62.41 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 N-CA-C 118.099 2.307 . . . . 0.0 118.099 -165.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.9 mtp 31.55 50.88 0.15 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 127.34 2.256 . . . . 0.0 114.448 -170.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -25.82 52.66 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 126.997 2.119 . . . . 0.0 113.42 -173.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -152.17 156.51 39.94 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.067 0.461 . . . . 0.0 112.028 169.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 t -154.35 68.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.322 0 C-N-CA 125.177 1.391 . . . . 0.0 108.202 -171.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -66.52 122.44 17.57 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.137 -0.977 . . . . 0.0 108.447 177.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.6 mm -113.69 124.37 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.46 1.104 . . . . 0.0 110.329 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mp -132.56 177.9 7.25 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.777 2.431 . . . . 0.0 109.863 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -58.23 49.66 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 130.305 3.442 . . . . 0.0 117.725 -169.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.01 3.18 18.07 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.985 1.755 . . . . 0.0 113.148 -169.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -132.74 140.96 48.3 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 118.267 1.034 . . . . 0.0 110.831 -171.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.04 135.66 53.74 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 126.4 1.88 . . . . 0.0 107.585 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -128.76 83.89 2.19 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 177.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -79.22 166.44 2.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 113.299 -1.773 . . . . 0.0 108.342 -176.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.534 ' CD ' ' HE ' ' A' ' 33' ' ' ARG . 26.3 tt0 -160.22 154.74 23.83 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.14 -0.975 . . . . 0.0 110.938 -171.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.483 ' CG ' ' HB2' ' A' ' 77' ' ' SER . 25.9 m-85 -132.45 165.53 24.09 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 113.703 -1.589 . . . . 0.0 111.437 169.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -98.71 2.77 47.39 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.21 149.97 42.08 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.159 1.384 . . . . 0.0 111.617 -177.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.81 -23.01 59.61 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -177.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -58.97 -52.67 64.74 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.588 1.086 . . . . 0.0 113.798 174.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.483 ' HB2' ' CG ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -56.36 -46.79 79.84 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 126.55 1.94 . . . . 0.0 112.122 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.401 ' CB ' ' HA ' ' A' ' 32' ' ' THR . . . -68.83 -47.47 65.95 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 175.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.62 -46.42 77.38 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.411 1.085 . . . . 0.0 112.016 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.2 -39.33 78.71 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-O 117.844 -1.075 . . . . 0.0 112.72 173.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.99 -46.0 78.83 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.468 1.031 . . . . 0.0 110.303 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.9 mt -52.82 -59.25 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.57 0 C-N-CA 124.35 1.06 . . . . 0.0 109.99 172.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -63.32 -25.22 68.21 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.06 -35.0 29.19 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.861 1.665 . . . . 0.0 113.401 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.95 -12.33 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.856 1.799 . . . . 0.0 115.856 -168.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -63.42 119.69 10.21 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 119.44 -2.037 . . . . 0.0 110.777 168.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.05 2.9 58.07 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 123.614 0.626 . . . . 0.0 112.211 171.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -96.64 132.51 42.21 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 126.585 1.954 . . . . 0.0 108.464 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.7 p -79.6 96.75 6.25 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 124.744 1.218 . . . . 0.0 113.267 -169.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -95.14 142.01 28.09 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.997 -0.439 . . . . 0.0 111.096 170.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 55.09 -59.97 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 128.574 2.75 . . . . 0.0 117.11 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -151.57 -10.23 0.21 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 126.872 2.069 . . . . 0.0 114.227 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -158.88 164.19 21.83 Favored Pre-proline 0 N--CA 1.475 0.817 0 CA-C-N 119.432 1.015 . . . . 0.0 111.311 -171.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.78 151.62 31.93 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 121.016 1.144 . . . . 0.0 114.754 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -69.92 154.25 42.2 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 113.683 -1.599 . . . . 0.0 111.728 169.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -129.07 49.68 2.21 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 125.545 2.593 . . . . 0.0 109.554 -171.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 50.8 t -72.28 106.29 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 129.086 2.954 . . . . 0.0 107.192 -173.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.602 ' CG1' ' H ' ' A' ' 99' ' ' TYR 0.282 1.9 p -157.31 -114.39 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 121.43 1.923 . . . . 0.0 114.816 -162.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.602 ' H ' ' CG1' ' A' ' 98' ' ' VAL . 7.8 m-30 -117.28 11.39 14.02 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.884 2.474 . . . . 0.0 112.121 173.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.411 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 18.1 m 0.25 -56.02 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.003 2 C-N-CA 133.856 4.862 . . . . 0.0 122.224 -175.804 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.64 161.91 41.94 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 119.963 1.256 . . . . 0.0 113.834 -168.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.494 ' H ' ' HD2' ' A' ' 103' ' ' PRO . 2.8 tt -143.56 -50.55 0.02 OUTLIER Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 125.309 1.444 . . . . 0.0 112.894 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.494 ' HD2' ' H ' ' A' ' 102' ' ' LEU . 44.7 Cg_endo -79.43 27.79 0.52 Allowed 'Trans proline' 0 CA--C 1.553 1.464 0 C-N-CA 123.13 2.553 . . . . 0.0 113.966 -176.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 C-N-CA 127.058 2.143 . . . . 0.0 111.681 -176.587 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 119.947 -0.073 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.57 -64.24 0.15 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.186 1.395 . . . . 0.0 110.214 -175.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.1 m -175.04 -32.52 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 130.11 3.364 . . . . 0.0 109.592 175.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.488 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 1.9 m-20 61.53 10.65 3.35 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 128.718 2.807 . . . . 0.0 115.029 172.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.1 p -151.8 20.66 0.7 Allowed 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 -164.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.452 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 92.7 mtt180 -134.52 139.04 45.15 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 122.273 2.306 . . . . 0.0 115.857 -164.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.436 ' HA ' ' H ' ' A' ' 98' ' ' VAL . 0.1 OUTLIER -117.22 109.04 16.39 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 120.2 -1.563 . . . . 0.0 113.649 -167.636 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -102.14 98.89 8.99 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-O 123.725 1.726 . . . . 0.0 109.124 -169.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.7 127.29 58.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 122.853 1.311 . . . . 0.0 107.818 -170.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.6 ptt-85 -147.35 11.41 0.02 OUTLIER Pre-proline 0 CA--C 1.554 1.126 0 N-CA-C 119.698 3.222 . . . . 0.0 119.698 -163.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -54.45 -42.46 67.66 Favored 'Trans proline' 0 C--N 1.356 0.923 0 CA-C-N 123.444 2.266 . . . . 0.0 115.105 172.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.59 137.69 58.9 Favored Pre-proline 0 N--CA 1.448 -0.57 0 C-N-CA 126.839 2.055 . . . . 0.0 113.484 -168.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -65.65 -167.48 0.11 Allowed 'Trans proline' 0 CA--C 1.556 1.615 0 C-N-CA 123.16 2.573 . . . . 0.0 110.991 163.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.7 mp -61.98 -4.9 1.8 Allowed 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -175.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -69.9 -11.49 60.91 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 174.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 p -79.8 146.9 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 119.674 1.124 . . . . 0.0 110.847 169.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -161.73 -169.45 2.25 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.626 1.17 . . . . 0.0 110.784 168.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.68 -36.58 57.3 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -169.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -64.36 -29.73 70.8 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 121.411 1.914 . . . . 0.0 114.34 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -85.14 -41.02 16.08 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 125.095 1.358 . . . . 0.0 108.832 -176.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.67 -39.95 95.54 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.296 169.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -58.23 -44.5 88.26 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 120.789 -1.194 . . . . 0.0 112.066 171.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -60.14 -36.48 77.6 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 173.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.9 mt -84.07 -42.63 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 124.585 1.154 . . . . 0.0 112.659 -175.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.418 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 66.9 m-85 -101.8 -31.75 10.6 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.482 1.913 . . . . 0.0 114.248 -171.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.04 -34.52 23.96 Favored Glycine 0 CA--C 1.544 1.88 0 CA-C-O 117.274 -1.848 . . . . 0.0 114.877 174.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -59.15 -25.76 79.24 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 CA-C-N 121.816 2.808 . . . . 0.0 114.779 172.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 4.9 m-85 -81.15 -28.24 35.13 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.075 1.35 . . . . 0.0 112.442 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.79 -83.56 0.31 Allowed Glycine 0 CA--C 1.534 1.271 0 C-N-CA 123.887 0.756 . . . . 0.0 113.095 172.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -81.36 166.03 18.35 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.586 2.858 . . . . 0.0 113.253 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mtp -155.11 97.27 1.91 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 129.64 3.176 . . . . 0.0 104.772 166.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.5 -23.06 15.69 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 125.483 1.513 . . . . 0.0 111.847 -168.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.43 156.82 32.84 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.952 1.701 . . . . 0.0 110.188 167.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 t -155.76 78.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 125.494 1.518 . . . . 0.0 107.695 -166.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.73 122.38 24.64 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 174.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.5 mt -130.41 123.86 56.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.315 1.046 . . . . 0.0 110.004 -174.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.97 -175.13 3.68 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 127.637 2.375 . . . . 0.0 110.066 -169.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -52.21 46.07 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.33 1 C-N-CA 132.417 4.287 . . . . 0.0 118.206 -173.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.72 24.37 9.31 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 126.373 1.939 . . . . 0.0 112.589 -168.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -136.19 148.75 48.28 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.83 0.852 . . . . 0.0 111.019 -177.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.04 136.19 35.02 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.615 1.166 . . . . 0.0 109.5 169.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -126.45 82.64 2.09 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 126.429 1.891 . . . . 0.0 106.023 174.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.407 HG22 ' CE2' ' A' ' 52' ' ' PHE . 1.8 t -75.57 164.02 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 113.192 -1.822 . . . . 0.0 108.259 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -155.66 145.13 21.02 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 120.95 -1.094 . . . . 0.0 108.965 -168.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -127.61 171.34 11.74 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.999 1.32 . . . . 0.0 111.937 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -109.11 10.02 26.09 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.202 1.001 . . . . 0.0 113.019 173.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -131.67 111.41 11.66 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.144 2.178 . . . . 0.0 108.617 -173.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.55 -30.39 69.74 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 120.283 -1.511 . . . . 0.0 113.019 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -65.81 -24.38 66.9 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.384 1.074 . . . . 0.0 113.327 172.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.9 p -76.16 -38.27 56.9 Favored 'General case' 0 CA--C 1.516 -0.334 0 O-C-N 121.387 -0.821 . . . . 0.0 111.509 178.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.85 -44.14 81.79 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.638 167.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.75 -51.72 54.09 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.688 1.131 . . . . 0.0 112.097 177.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -42.86 84.6 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 118.133 -0.937 . . . . 0.0 112.472 174.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.11 79.28 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.437 1.017 . . . . 0.0 110.633 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.2 mt -56.54 -61.12 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.448 0 C-N-CA 125.002 1.321 . . . . 0.0 110.028 172.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -60.96 -30.48 70.27 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -176.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -71.92 -43.83 64.67 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.962 1.705 . . . . 0.0 113.184 -177.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.413 ' CA ' ' HE2' ' A' ' 88' ' ' LYS . 8.6 p -150.08 4.21 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 -166.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -70.45 123.9 22.89 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 119.388 -2.07 . . . . 0.0 111.097 168.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.46 -10.11 72.93 Favored Glycine 0 N--CA 1.471 1.024 0 C-N-CA 125.711 1.624 . . . . 0.0 112.147 173.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.413 ' HE2' ' CA ' ' A' ' 85' ' ' VAL . 2.2 mppt? -75.34 142.61 43.15 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 127.489 2.315 . . . . 0.0 108.064 168.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 49.5 m -92.9 127.85 38.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.812 0.815 . . . . 0.0 111.953 -174.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -114.82 147.65 39.55 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.68 171.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 55.48 -59.45 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 127.69 2.396 . . . . 0.0 115.73 -174.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -156.54 -6.95 0.1 Allowed 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 127.127 2.171 . . . . 0.0 114.613 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -163.01 165.37 14.91 Favored Pre-proline 0 N--CA 1.482 1.152 0 CA-C-N 119.816 1.189 . . . . 0.0 111.69 -169.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 89' ' ' SER . 60.9 Cg_endo -82.4 161.12 17.3 Favored 'Trans proline' 0 C--N 1.345 0.346 0 N-CA-C 118.301 2.385 . . . . 0.0 118.301 -171.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.21 139.82 31.81 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 130.001 3.32 . . . . 0.0 111.482 -176.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -115.76 48.71 1.18 Allowed 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 124.693 2.187 . . . . 0.0 109.02 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.1 t -62.34 109.39 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 C-N-CA 125.975 1.71 . . . . 0.0 108.005 174.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.478 HG12 ' H ' ' A' ' 99' ' ' TYR 0.297 0.5 OUTLIER -156.1 -136.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 N-CA-C 117.539 2.422 . . . . 0.0 117.539 -164.658 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.488 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 16.0 m-30 -105.99 49.26 0.81 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.287 2.235 . . . . 0.0 105.91 165.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.452 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 25.2 m -47.99 145.98 2.75 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.395 1.878 . . . . 0.0 113.54 -171.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -137.05 144.07 42.99 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 123.34 1.543 . . . . 0.0 115.136 -170.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.7 tt -149.94 158.13 37.27 Favored Pre-proline 0 CA--C 1.56 1.334 1 C-N-CA 132.472 4.309 . . . . 0.0 104.539 175.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -53.15 11.22 0.02 OUTLIER 'Trans proline' 0 CA--C 1.556 1.616 0 C-N-CA 125.22 3.947 . . . . 0.0 121.312 -172.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.17 0 C-N-CA 126.487 1.915 . . . . 0.0 111.645 172.012 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 119.337 -0.363 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 70.19 -63.63 0.39 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.359 2.263 . . . . 0.0 113.694 171.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.0 m -166.96 -18.8 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 129.036 2.934 . . . . 0.0 111.915 173.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.13 -24.34 0.07 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 127.067 2.147 . . . . 0.0 116.139 -177.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.3 p -140.26 44.74 1.87 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 116.768 2.136 . . . . 0.0 116.768 -166.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -136.55 123.5 21.44 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 123.504 1.621 . . . . 0.0 114.999 176.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.31 105.04 16.54 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 120.839 -1.163 . . . . 0.0 110.368 -171.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.407 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 4.4 t80 -92.81 97.62 10.88 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 125.349 2.5 . . . . 0.0 106.821 -172.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.286 40.2 t -126.53 91.72 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 111.627 -2.533 . . . . 0.0 107.213 -160.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.4 ptt85 -125.79 14.83 0.06 OUTLIER Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 118.419 2.748 . . . . 0.0 118.419 -166.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -71.9 -32.13 11.72 Favored 'Trans proline' 0 C--N 1.351 0.673 0 CA-C-N 122.437 1.906 . . . . 0.0 113.042 -177.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -79.9 157.67 73.69 Favored Pre-proline 0 C--N 1.323 -0.565 0 C-N-CA 125.918 1.687 . . . . 0.0 112.613 -169.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -81.83 -159.35 0.11 Allowed 'Trans proline' 0 CA--C 1.548 1.206 0 C-N-CA 122.446 2.097 . . . . 0.0 110.177 165.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -52.35 -22.89 5.05 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.356 1.463 . . . . 0.0 113.741 174.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -71.28 31.28 0.05 OUTLIER 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 127.878 2.471 . . . . 0.0 115.245 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.9 p -128.67 139.79 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.238 1.415 . . . . 0.0 111.265 168.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -149.34 169.72 20.17 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.123 1.369 . . . . 0.0 109.338 -169.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -30.24 56.84 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -64.39 -33.15 75.18 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.145 -1.597 . . . . 0.0 114.568 172.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -81.96 -40.03 22.83 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 120.269 -1.519 . . . . 0.0 109.208 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.7 mt -65.49 -33.54 76.17 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.693 171.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -62.82 -44.76 95.3 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 119.784 -1.822 . . . . 0.0 111.84 169.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -58.28 -37.53 75.19 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.3 mt -91.98 -34.54 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.056 0.942 . . . . 0.0 112.892 -172.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.425 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 30.0 m-85 -107.76 -18.96 13.69 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.571 1.548 . . . . 0.0 113.581 -172.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.11 -33.13 29.49 Favored Glycine 0 CA--C 1.541 1.697 0 CA-C-O 117.688 -1.618 . . . . 0.0 114.643 168.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -62.32 -25.0 76.25 Favored 'Trans proline' 0 C--N 1.358 1.077 0 CA-C-N 121.538 2.669 . . . . 0.0 114.51 171.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.9 m-30 -84.5 -49.82 8.29 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.553 0.741 . . . . 0.0 111.312 -175.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.71 -73.1 0.29 Allowed Glycine 0 CA--C 1.54 1.602 0 CA-C-O 118.265 -1.297 . . . . 0.0 115.398 169.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -68.16 32.56 0.15 Allowed 'Trans proline' 0 CA--C 1.548 1.201 0 C-N-CA 124.498 3.466 . . . . 0.0 118.706 -173.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.4 ptm -57.18 69.3 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 127.742 2.417 . . . . 0.0 114.369 170.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -36.93 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 130.219 3.408 . . . . 0.0 112.996 -178.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -147.77 156.39 42.69 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 121.934 0.873 . . . . 0.0 110.65 173.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t -150.3 72.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 -168.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -71.1 111.02 6.13 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.859 -1.164 . . . . 0.0 107.859 -174.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.6 mt -120.1 123.14 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.375 1.07 . . . . 0.0 111.985 -168.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.0 mp -132.79 -178.72 5.07 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 129.004 2.921 . . . . 0.0 109.648 -171.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -56.53 50.56 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 130.898 3.679 . . . . 0.0 117.978 -171.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.75 13.75 17.55 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.255 1.407 . . . . 0.0 113.105 -169.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -134.24 144.56 48.48 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.835 0.826 . . . . 0.0 111.659 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -128.79 131.63 47.81 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 126.66 1.984 . . . . 0.0 107.059 169.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -122.74 82.4 1.98 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 172.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.7 t -68.94 158.2 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.11 -1.404 . . . . 0.0 107.784 175.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -154.62 142.04 19.65 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 120.964 -1.085 . . . . 0.0 108.443 -168.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -124.75 163.79 21.35 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.776 0.673 . . . . 0.0 111.897 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -102.95 7.28 39.21 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.774 0.83 . . . . 0.0 112.641 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -148.02 137.51 22.31 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.395 1.478 . . . . 0.0 110.133 -168.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.05 -29.54 49.35 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 116.463 2.024 . . . . 0.0 116.463 -169.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.1 -32.44 73.59 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 120.458 1.481 . . . . 0.0 112.026 175.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.1 p -59.39 -40.9 88.03 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.825 0.85 . . . . 0.0 112.17 174.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.83 -45.86 56.14 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.508 -0.758 . . . . 0.0 111.03 175.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.52 -47.17 63.4 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 123.76 0.824 . . . . 0.0 111.849 174.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -69.68 -41.72 75.08 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-O 117.574 -1.203 . . . . 0.0 112.481 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.26 -44.67 84.12 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.08 1.309 . . . . 0.0 110.402 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.4 mt -53.73 -59.64 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 124.624 1.17 . . . . 0.0 110.398 172.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -63.97 -25.77 68.28 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -75.89 -41.19 52.77 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.606 1.563 . . . . 0.0 112.574 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.8 p -149.58 -0.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -166.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -67.32 120.13 13.33 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 119.359 -2.088 . . . . 0.0 112.556 169.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.35 -2.62 87.48 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.824 1.202 . . . . 0.0 112.176 172.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.68 143.39 40.09 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.787 2.035 . . . . 0.0 107.753 169.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.9 p -91.55 102.64 15.29 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.594 1.158 . . . . 0.0 112.581 -169.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -100.5 141.9 32.72 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.702 -0.624 . . . . 0.0 111.866 173.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 53.21 -56.46 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 129.271 3.028 . . . . 0.0 117.039 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -152.63 -10.38 0.18 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.735 2.014 . . . . 0.0 114.123 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -157.4 161.94 28.31 Favored Pre-proline 0 N--CA 1.474 0.728 0 CA-C-N 119.613 1.097 . . . . 0.0 111.988 -171.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.39 149.16 27.32 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 121.132 1.221 . . . . 0.0 114.702 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -70.23 161.59 30.02 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.05 2.14 . . . . 0.0 113.714 173.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -130.61 48.89 2.36 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 124.835 2.255 . . . . 0.0 109.662 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.26 98.08 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 127.778 2.431 . . . . 0.0 106.682 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.672 ' CG1' ' H ' ' A' ' 99' ' ' TYR 0.278 1.5 p -157.12 -112.88 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 121.267 1.849 . . . . 0.0 112.958 -163.688 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.672 ' H ' ' CG1' ' A' ' 98' ' ' VAL . 5.4 m-85 -119.61 12.18 12.22 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 128.798 2.839 . . . . 0.0 110.624 174.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.407 ' CB ' ' HB2' ' A' ' 35' ' ' PHE 0.37 28.9 t 39.88 53.82 2.61 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 129.837 3.255 . . . . 0.0 118.281 -175.486 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -156.83 142.87 17.97 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.591 1.557 . . . . 0.0 108.057 165.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 93.5 mt -52.54 157.86 2.33 Favored Pre-proline 0 CA--C 1.553 1.07 0 C-N-CA 125.002 1.321 . . . . 0.0 111.828 171.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -66.85 2.09 2.32 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 123.741 2.961 . . . . 0.0 114.935 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 C-N-CA 126.964 2.105 . . . . 0.0 109.609 170.215 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 119.905 -0.093 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 tp -151.54 178.5 9.25 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.204 1.401 . . . . 0.0 110.51 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 m -66.04 -21.94 66.41 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -170.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.458 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.8 OUTLIER 55.29 6.15 0.15 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.653 1.981 . . . . 0.0 115.608 -168.535 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.3 p -149.64 16.33 0.89 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 118.016 2.599 . . . . 0.0 118.016 -162.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.1 mtt85 -137.5 127.86 26.43 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 125.469 2.557 . . . . 0.0 116.696 -166.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.474 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -100.25 97.19 8.01 Favored 'General case' 0 N--CA 1.426 -1.656 0 CA-C-N 113.174 -1.83 . . . . 0.0 110.7 -168.319 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -92.98 94.9 9.16 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 124.318 2.008 . . . . 0.0 110.067 -169.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -124.97 127.31 72.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 123.504 1.621 . . . . 0.0 108.363 -173.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.3 ptt85 -154.24 27.7 0.04 OUTLIER Pre-proline 0 CA--C 1.547 0.85 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -163.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.61 -30.32 6.45 Favored 'Trans proline' 0 C--N 1.354 0.828 0 CA-C-N 121.682 1.637 . . . . 0.0 112.669 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.02 163.75 66.12 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 126.075 1.75 . . . . 0.0 113.643 -168.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -84.54 -163.18 0.18 Allowed 'Trans proline' 0 CA--C 1.55 1.305 0 C-N-CA 123.545 2.83 . . . . 0.0 109.206 165.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 mp -55.29 -18.91 7.14 Favored 'General case' 0 CA--C 1.553 1.076 0 O-C-N 120.317 -1.489 . . . . 0.0 114.098 175.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.69 -17.15 63.83 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.443 2.297 . . . . 0.0 115.951 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.82 143.93 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 122.153 2.251 . . . . 0.0 110.738 170.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.27 173.46 11.94 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.321 0.582 . . . . 0.0 111.233 171.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.55 -27.97 18.89 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 176.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.6 m -73.96 -29.91 62.25 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.788 1.235 . . . . 0.0 113.126 175.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -75.1 -42.0 57.5 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 123.245 1.498 . . . . 0.0 108.559 176.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.6 mt -67.88 -32.66 73.31 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 114.074 -1.421 . . . . 0.0 109.882 173.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.63 -42.05 98.21 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 119.891 -1.756 . . . . 0.0 112.244 170.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -60.65 -36.95 79.96 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 173.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.0 mt -91.4 -32.97 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.848 0.859 . . . . 0.0 113.101 -173.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -109.47 -16.19 14.05 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.65 1.98 . . . . 0.0 112.864 -171.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.18 -33.25 37.72 Favored Glycine 0 CA--C 1.544 1.891 0 CA-C-O 117.319 -1.823 . . . . 0.0 114.366 167.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.88 -28.67 86.75 Favored 'Trans proline' 0 C--N 1.353 0.809 0 CA-C-N 121.701 2.751 . . . . 0.0 113.843 170.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -79.71 -55.06 5.28 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.595 1.158 . . . . 0.0 108.867 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.74 -67.75 0.33 Allowed Glycine 0 CA--C 1.535 1.323 0 N-CA-C 117.502 1.761 . . . . 0.0 117.502 167.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -79.24 27.11 0.53 Allowed 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.986 3.124 . . . . 0.0 116.077 -166.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -42.5 97.16 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 126.24 1.816 . . . . 0.0 112.292 172.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.6 -30.62 16.26 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 128.24 2.616 . . . . 0.0 111.306 -169.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -143.45 156.18 44.57 Favored 'General case' 0 CA--C 1.513 -0.47 0 C-N-CA 123.818 0.847 . . . . 0.0 110.062 169.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.6 t -151.15 63.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 -167.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -71.01 110.57 5.78 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -172.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.1 mm -107.38 127.17 63.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.954 1.302 . . . . 0.0 109.588 -174.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.4 168.29 19.19 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 126.137 1.775 . . . . 0.0 108.667 176.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.67 96.27 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.937 1.295 . . . . 0.0 113.874 168.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.02 5.72 81.0 Favored Glycine 0 CA--C 1.536 1.353 0 N-CA-C 115.549 0.98 . . . . 0.0 115.549 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -130.16 148.97 52.06 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 118.661 1.23 . . . . 0.0 113.202 174.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.47 116.65 11.81 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 126.983 2.113 . . . . 0.0 107.798 172.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -109.68 82.54 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 175.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 t -70.1 159.92 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 114.217 -1.356 . . . . 0.0 107.417 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -157.66 153.31 26.53 Favored 'General case' 0 C--N 1.315 -0.927 0 O-C-N 120.779 -1.201 . . . . 0.0 109.219 -167.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.474 ' CE2' HD21 ' A' ' 34' ' ' LEU . 28.0 m-85 -129.36 168.21 16.6 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.852 1.261 . . . . 0.0 110.769 174.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -100.68 5.2 43.7 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 176.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.85 173.13 11.82 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.013 1.725 . . . . 0.0 110.86 170.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.81 -6.9 19.83 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 -171.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -72.91 -38.73 66.79 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.739 -1.226 . . . . 0.0 111.148 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.5 p -58.76 -46.85 86.53 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 126.872 2.069 . . . . 0.0 111.416 170.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.09 79.04 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.118 172.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.72 -49.51 65.26 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 119.142 0.883 . . . . 0.0 112.516 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.5 pttt -67.5 -43.35 81.1 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 118.064 -0.969 . . . . 0.0 113.257 175.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.54 -43.03 84.08 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.347 0.976 . . . . 0.0 109.89 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.0 mt -55.02 -60.41 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.25 0 C-N-CA 124.598 1.159 . . . . 0.0 110.205 173.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -62.3 -29.32 70.35 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.05 -41.97 73.48 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.038 1.335 . . . . 0.0 113.094 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.406 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 7.0 p -152.68 0.06 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -166.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -67.34 121.37 15.57 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 119.152 -2.218 . . . . 0.0 110.169 168.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.53 2.29 57.63 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.411 1.005 . . . . 0.0 112.409 172.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.406 ' HE2' ' HA ' ' A' ' 85' ' ' VAL . 5.6 mptt -96.06 130.46 43.07 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 127.149 2.18 . . . . 0.0 108.757 -178.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.3 p -74.53 101.39 4.16 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 125.974 1.71 . . . . 0.0 112.211 -171.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -103.85 145.72 29.7 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.559 -0.713 . . . . 0.0 110.419 171.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 55.73 -55.28 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 128.351 2.66 . . . . 0.0 116.952 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -154.41 -10.5 0.13 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.808 2.043 . . . . 0.0 114.242 174.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -159.59 162.85 24.5 Favored Pre-proline 0 N--CA 1.474 0.759 0 CA-C-N 120.311 1.414 . . . . 0.0 112.054 -170.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.54 150.7 36.24 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 N-CA-C 116.014 1.505 . . . . 0.0 116.014 -176.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.33 143.3 38.88 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 128.793 2.837 . . . . 0.0 112.741 177.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -118.9 48.47 1.46 Allowed 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 125.625 2.631 . . . . 0.0 109.62 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.32 103.93 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 CA-C-N 112.956 -1.929 . . . . 0.0 107.749 176.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.546 HG11 ' H ' ' A' ' 99' ' ' TYR 0.303 0.5 OUTLIER -153.03 -128.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 117.733 -1.587 . . . . 0.0 114.156 -165.038 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.546 ' H ' HG11 ' A' ' 98' ' ' VAL . 15.0 m-30 -111.65 24.15 13.07 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 127.534 2.334 . . . . 0.0 110.029 169.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . 0.293 29.3 t 27.9 91.37 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 130.869 3.668 . . . . 0.0 119.304 -169.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -73.96 177.92 5.3 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.402 1.081 . . . . 0.0 109.16 164.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.412 ' H ' ' HD2' ' A' ' 103' ' ' PRO . 36.8 tp -153.48 -47.41 0.01 OUTLIER Pre-proline 0 CA--C 1.555 1.156 0 CA-C-O 117.463 -1.256 . . . . 0.0 114.183 169.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.412 ' HD2' ' H ' ' A' ' 102' ' ' LEU . 67.4 Cg_endo -80.79 -5.06 13.06 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 122.445 2.097 . . . . 0.0 114.134 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.21 0 C-N-CA 127.954 2.502 . . . . 0.0 110.109 -179.881 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 120.848 0.356 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.411 ' CD1' ' H ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -150.26 -171.18 3.84 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.906 2.082 . . . . 0.0 109.147 -179.331 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.411 ' H ' ' CD1' ' A' ' 29' ' ' LEU . 11.3 m -57.29 -26.79 61.42 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 174.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.492 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 20.0 m-20 56.19 11.41 0.77 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 127.317 2.247 . . . . 0.0 114.888 -172.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.0 p -150.31 17.77 0.84 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 117.376 2.361 . . . . 0.0 117.376 -164.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -138.75 134.24 33.24 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 123.587 2.903 . . . . 0.0 117.279 -168.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.67 103.08 11.6 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 113.897 -1.501 . . . . 0.0 109.582 -169.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -88.11 100.95 13.34 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 128.218 2.607 . . . . 0.0 105.0 -174.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.4 t -134.1 98.45 2.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 113.673 -1.603 . . . . 0.0 109.037 -160.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -132.19 23.75 0.1 OUTLIER Pre-proline 0 CA--C 1.55 0.965 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 -172.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.29 -11.24 24.78 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 CA-C-N 122.162 1.808 . . . . 0.0 113.915 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -103.6 162.77 18.99 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 125.477 1.511 . . . . 0.0 113.241 -168.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.38 -171.73 1.3 Allowed 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 122.838 2.358 . . . . 0.0 111.463 167.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.42 HD21 ' H ' ' A' ' 41' ' ' LEU . 1.5 mm? -47.48 -28.64 2.27 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.583 1.953 . . . . 0.0 113.635 176.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.7 -14.81 62.6 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.153 1.781 . . . . 0.0 115.11 -172.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.09 144.85 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 120.425 1.466 . . . . 0.0 109.031 168.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -150.37 170.86 18.02 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 124.246 1.018 . . . . 0.0 109.25 -175.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -54.42 -30.08 51.28 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.99 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -61.52 -36.6 81.0 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 120.343 1.428 . . . . 0.0 114.725 172.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -80.8 -41.88 22.61 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.398 1.479 . . . . 0.0 108.727 -177.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mt -63.48 -34.92 78.82 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.97 170.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -64.13 -41.93 97.02 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 119.546 -1.971 . . . . 0.0 112.051 172.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -60.58 -38.84 85.9 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 173.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.0 mt -85.55 -37.55 12.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 123.762 0.825 . . . . 0.0 112.782 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.467 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 27.7 m-85 -106.3 -20.01 13.52 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.57 1.548 . . . . 0.0 113.516 -169.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.39 -33.12 31.62 Favored Glycine 0 CA--C 1.543 1.81 0 CA-C-O 117.568 -1.685 . . . . 0.0 115.034 168.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.09 -26.73 83.25 Favored 'Trans proline' 0 C--N 1.359 1.08 0 CA-C-N 121.489 2.645 . . . . 0.0 114.441 171.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.6 m-30 -81.48 -48.61 11.62 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.995 0.918 . . . . 0.0 110.725 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.02 -76.76 0.39 Allowed Glycine 0 CA--C 1.533 1.205 0 N-CA-C 115.757 1.063 . . . . 0.0 115.757 168.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -85.93 48.48 2.08 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 124.025 3.15 . . . . 0.0 114.488 -168.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.0 ptm -60.26 67.04 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 128.044 2.538 . . . . 0.0 112.794 168.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -32.55 67.38 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 130.053 3.341 . . . . 0.0 113.503 -176.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -150.32 160.15 43.93 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 122.247 1.022 . . . . 0.0 110.819 172.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.9 t -149.3 71.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 -170.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -71.14 103.94 2.91 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 -172.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.3 mt -114.67 123.96 70.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.482 1.113 . . . . 0.0 112.299 -166.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 mp -129.87 -175.78 3.72 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 129.029 2.932 . . . . 0.0 109.342 -173.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -58.64 56.07 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 129.568 3.147 . . . . 0.0 117.327 -170.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.74 -2.82 27.48 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.665 1.603 . . . . 0.0 113.13 -170.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -119.78 148.49 43.36 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.182 0.991 . . . . 0.0 110.778 -169.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.56 129.42 37.01 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 126.352 1.861 . . . . 0.0 107.428 169.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -114.05 82.94 1.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 104.45 -2.426 . . . . 0.0 104.45 167.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -65.11 151.3 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -147.68 145.23 28.82 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -168.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -123.32 166.37 15.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.947 0.879 . . . . 0.0 112.015 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -105.24 13.01 31.21 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.015 1.326 . . . . 0.0 111.422 169.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -150.93 133.41 15.55 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.864 2.065 . . . . 0.0 110.164 -170.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.59 -17.71 47.34 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.993 0.917 . . . . 0.0 113.242 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -64.59 -37.91 89.2 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 169.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.3 t -65.72 -39.17 90.92 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 118.756 -0.64 . . . . 0.0 111.202 172.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.61 -49.58 72.78 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.084 0.856 . . . . 0.0 111.644 173.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.62 -49.98 64.02 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.348 1.059 . . . . 0.0 112.81 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -38.97 70.03 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 117.963 -1.018 . . . . 0.0 112.972 177.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.66 81.78 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.373 0.988 . . . . 0.0 109.308 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.8 mt -54.12 -58.45 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 124.146 0.978 . . . . 0.0 110.721 172.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -63.31 -21.15 66.08 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -87.75 -36.71 17.18 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.34 1.856 . . . . 0.0 112.983 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.4 p -152.52 -3.06 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -167.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -65.33 119.16 10.44 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 118.962 -2.336 . . . . 0.0 113.259 169.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.74 10.18 83.54 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 123.924 0.773 . . . . 0.0 113.31 168.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -75.09 -62.8 1.43 Allowed 'General case' 0 C--N 1.343 0.288 0 C-N-CA 125.837 1.655 . . . . 0.0 113.33 -169.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.2 t 120.54 114.49 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 131.274 3.83 . . . . 0.0 110.375 -178.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -123.87 148.17 47.02 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.004 1.322 . . . . 0.0 110.757 172.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.08 -59.72 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.739 2.416 . . . . 0.0 115.026 -170.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.423 HD22 ' NE2' ' A' ' 93' ' ' GLN . 1.7 p30 -156.1 -3.91 0.12 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.575 1.95 . . . . 0.0 114.566 170.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.423 ' NE2' HD22 ' A' ' 92' ' ' ASN . 18.3 pt20 -156.28 156.23 29.98 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 119.82 1.191 . . . . 0.0 112.683 -167.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.79 166.07 27.6 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.544 2.163 . . . . 0.0 116.185 -171.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -100.42 156.87 17.02 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 128.161 2.584 . . . . 0.0 112.077 -174.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -119.13 50.19 1.25 Allowed 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 124.793 2.235 . . . . 0.0 110.008 172.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.3 t -64.04 99.76 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 126.8 2.04 . . . . 0.0 107.125 177.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.647 ' CG1' ' H ' ' A' ' 99' ' ' TYR 0.295 0.4 OUTLIER -155.32 -118.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.242 0.692 0 CA-C-N 121.02 1.736 . . . . 0.0 112.391 -164.999 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.647 ' H ' ' CG1' ' A' ' 98' ' ' VAL . 10.3 m-85 -115.73 9.2 15.12 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.708 2.403 . . . . 0.0 111.69 169.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . 0.38 40.0 t 42.96 -176.92 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 129.434 3.093 . . . . 0.0 116.606 -171.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -167.58 -174.45 2.5 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 128.053 2.541 . . . . 0.0 111.122 -174.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.6 mt -56.59 150.51 34.93 Favored Pre-proline 0 CA--C 1.555 1.142 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.57 168.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -53.88 5.45 0.03 OUTLIER 'Trans proline' 0 CA--C 1.55 1.308 1 C-N-CA 126.191 4.594 . . . . 0.0 120.05 -176.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.189 0 C-N-CA 126.366 1.866 . . . . 0.0 113.261 175.635 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 pm0 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 119.949 -0.072 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.32 -73.84 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 127.76 2.424 . . . . 0.0 113.913 -178.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -166.28 -8.73 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 129.206 3.002 . . . . 0.0 112.289 175.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.343 0.2 OUTLIER 45.77 -13.27 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 121.381 3.845 . . . . 0.0 121.381 176.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.9 p -146.48 27.83 1.1 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 -166.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.432 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 0.1 OUTLIER -134.27 125.19 27.21 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 117.022 2.23 . . . . 0.0 117.022 -165.028 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.12 109.45 21.26 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 120.889 -1.132 . . . . 0.0 111.293 -169.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -97.9 98.9 10.2 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 124.978 2.323 . . . . 0.0 106.734 -171.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.287 33.1 t -126.13 99.54 5.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 111.838 -2.437 . . . . 0.0 108.899 -158.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.4 ptt-85 -137.08 -2.88 0.03 OUTLIER Pre-proline 0 CA--C 1.556 1.179 0 N-CA-C 119.3 3.074 . . . . 0.0 119.3 -168.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -48.66 -42.51 36.05 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 123.777 2.985 . . . . 0.0 117.419 173.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.79 152.32 69.07 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 125.19 1.396 . . . . 0.0 112.087 178.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -73.99 -151.3 0.03 OUTLIER 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 121.901 1.734 . . . . 0.0 109.351 165.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.421 ' H ' ' CD2' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -58.15 -17.73 20.53 Favored 'General case' 0 CA--C 1.553 1.091 0 O-C-N 120.348 -1.47 . . . . 0.0 113.262 172.306 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.32 37.12 0.07 Allowed 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 129.303 3.041 . . . . 0.0 116.063 -175.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.2 p -136.46 147.46 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.448 1.499 . . . . 0.0 111.237 171.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -158.94 -175.08 5.08 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.409 1.084 . . . . 0.0 111.235 172.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.11 -22.28 50.11 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 -175.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 p -71.76 -33.09 68.37 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 121.011 1.732 . . . . 0.0 114.081 171.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.6 -42.5 22.13 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.663 1.185 . . . . 0.0 108.519 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.8 mt -61.08 -36.11 78.76 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.917 168.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -62.38 -41.69 98.83 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 119.028 -2.295 . . . . 0.0 111.898 174.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -61.47 -38.04 85.8 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 173.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.2 mt -86.93 -37.73 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.932 0.893 . . . . 0.0 113.022 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.456 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 30.0 m-85 -108.59 -22.95 12.04 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.763 2.025 . . . . 0.0 113.277 -169.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.83 -33.36 35.31 Favored Glycine 0 CA--C 1.544 1.871 0 CA-C-O 117.564 -1.687 . . . . 0.0 114.506 169.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.89 -27.28 84.56 Favored 'Trans proline' 0 C--N 1.356 0.926 0 CA-C-N 121.391 2.596 . . . . 0.0 114.503 169.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.456 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.8 m-30 -78.57 -48.36 15.35 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.868 0.867 . . . . 0.0 110.237 179.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.64 -74.17 0.41 Allowed Glycine 0 CA--C 1.539 1.572 0 N-CA-C 119.287 2.475 . . . . 0.0 119.287 165.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.4 -37.08 3.46 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 123.263 2.642 . . . . 0.0 117.914 -165.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.6 mtp 33.96 53.48 0.51 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 126.441 1.896 . . . . 0.0 114.897 -175.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.85 -30.24 44.6 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.204 1.802 . . . . 0.0 113.319 -172.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -152.0 156.55 40.21 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 122.276 1.036 . . . . 0.0 111.497 169.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.2 t -151.66 70.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 -167.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -75.34 121.71 22.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.9 mt -132.52 129.36 58.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-O 122.574 1.178 . . . . 0.0 110.395 -173.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.0 mp -123.65 172.62 8.67 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 128.875 2.87 . . . . 0.0 107.62 -174.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -29.71 -58.25 0.17 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.428 1.891 . . . . 0.0 115.138 -169.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.96 38.68 1.68 Allowed Glycine 0 CA--C 1.532 1.127 0 C-N-CA 126.011 1.767 . . . . 0.0 113.233 169.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -138.59 153.56 48.67 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.767 1.227 . . . . 0.0 111.377 -178.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -137.25 141.2 42.01 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 126.236 1.814 . . . . 0.0 109.829 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -133.94 79.59 1.82 Allowed 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 105.561 -2.015 . . . . 0.0 105.561 177.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -70.53 158.79 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 112.288 -2.233 . . . . 0.0 106.7 174.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -156.89 150.07 24.03 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 120.999 -1.063 . . . . 0.0 108.863 -167.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -131.62 159.77 37.31 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.707 1.203 . . . . 0.0 110.561 176.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -92.37 -3.58 55.11 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.0 163.16 33.44 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.188 1.395 . . . . 0.0 112.201 177.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.1 1.71 55.18 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -169.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -87.78 -46.03 9.81 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 124.473 1.109 . . . . 0.0 112.801 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -60.72 -36.26 78.38 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 168.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.71 -54.48 26.78 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 118.846 -0.597 . . . . 0.0 111.957 174.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.79 -47.06 71.15 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 123.833 0.853 . . . . 0.0 112.067 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.1 -41.7 77.1 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 117.746 -1.121 . . . . 0.0 112.756 175.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.86 77.51 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.761 1.164 . . . . 0.0 110.165 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.7 mt -51.91 -59.93 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.352 1.061 . . . . 0.0 110.679 172.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -64.3 -25.8 68.21 Favored 'General case' 0 CA--C 1.551 0.991 0 O-C-N 121.319 -0.863 . . . . 0.0 113.248 -177.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -79.23 -39.2 33.76 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.551 1.941 . . . . 0.0 112.848 -178.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.4 p -149.14 -3.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 -167.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -66.71 124.94 24.29 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 119.413 -2.054 . . . . 0.0 111.929 169.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.02 -3.38 87.32 Favored Glycine 0 N--CA 1.472 1.044 0 C-N-CA 123.87 0.747 . . . . 0.0 111.93 169.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -81.32 140.61 34.69 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.949 2.1 . . . . 0.0 108.328 169.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.7 p -85.31 92.65 8.5 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 124.897 1.279 . . . . 0.0 112.505 -169.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -84.26 137.76 33.3 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.868 -0.52 . . . . 0.0 112.015 173.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.1 -55.1 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 129.117 2.967 . . . . 0.0 116.479 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -152.88 -11.67 0.16 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.25 2.22 . . . . 0.0 113.203 -176.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -165.84 164.4 11.71 Favored Pre-proline 0 N--CA 1.479 1.003 0 CA-C-N 120.476 1.489 . . . . 0.0 112.966 -172.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -80.84 145.74 16.07 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 N-CA-C 116.211 1.581 . . . . 0.0 116.211 -174.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.68 161.67 11.95 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.314 2.245 . . . . 0.0 113.593 172.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -126.57 48.57 2.13 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-O 124.23 1.967 . . . . 0.0 109.434 169.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.23 99.07 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 127.635 2.374 . . . . 0.0 107.231 177.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.605 ' CG1' ' H ' ' A' ' 99' ' ' TYR 0.258 1.3 p -158.29 -122.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 120.878 1.672 . . . . 0.0 114.612 -163.283 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.605 ' H ' ' CG1' ' A' ' 98' ' ' VAL . 6.7 m-85 -114.49 67.37 0.68 Allowed 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 130.265 3.426 . . . . 0.0 106.078 168.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.432 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 15.3 t -51.67 129.22 25.55 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.668 -1.27 . . . . 0.0 110.133 177.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.1 mmtm -59.79 142.38 53.42 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.711 1.205 . . . . 0.0 111.063 -167.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 96.1 mt -48.11 -37.09 12.81 Favored Pre-proline 0 CA--C 1.556 1.176 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 -172.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -60.96 -16.93 48.34 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 124.045 3.163 . . . . 0.0 117.281 173.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.215 0 C-N-CA 125.962 1.705 . . . . 0.0 111.662 -169.603 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 110.552 -0.166 . . . . 0.0 110.552 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.419 HD12 ' H ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -143.63 177.62 8.36 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.001 1.72 . . . . 0.0 110.154 -177.201 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.419 ' H ' HD12 ' A' ' 29' ' ' LEU . 4.2 m -55.35 -27.22 45.84 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.054 1.742 . . . . 0.0 114.484 173.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.415 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 1.0 OUTLIER 54.4 8.09 0.18 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 128.019 2.528 . . . . 0.0 115.525 -170.621 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.6 p -147.74 12.9 1.02 Allowed 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 117.234 2.309 . . . . 0.0 117.234 -163.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.3 mtt-85 -130.82 129.39 42.31 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 119.542 3.164 . . . . 0.0 119.542 -165.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.413 ' HA ' ' H ' ' A' ' 98' ' ' VAL . 0.1 OUTLIER -100.53 101.94 12.99 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 114.197 -1.365 . . . . 0.0 110.354 -172.3 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -95.41 101.11 12.81 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 124.195 1.95 . . . . 0.0 109.688 -174.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.06 129.69 57.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.45 -1.25 . . . . 0.0 108.7 -168.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -151.61 17.57 0.02 OUTLIER Pre-proline 0 CA--C 1.552 1.031 0 N-CA-C 117.475 2.398 . . . . 0.0 117.475 -165.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 60.5 Cg_endo -73.76 -25.91 14.1 Favored 'Trans proline' 0 C--N 1.353 0.807 0 CA-C-N 122.679 1.992 . . . . 0.0 113.756 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.76 157.47 85.79 Favored Pre-proline 0 CA--C 1.538 0.488 0 C-N-CA 125.745 1.618 . . . . 0.0 113.003 -169.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.66 -175.69 1.21 Allowed 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.215 1.943 . . . . 0.0 110.364 166.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.428 ' H ' ' CD2' ' A' ' 41' ' ' LEU . 1.1 mm? -58.83 -16.46 17.31 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.048 1.339 . . . . 0.0 113.857 -176.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.86 -17.98 63.4 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.246 2.219 . . . . 0.0 115.897 -175.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 p -60.14 141.55 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 CA-C-N 120.845 1.657 . . . . 0.0 112.825 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -141.89 173.59 11.37 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.966 1.306 . . . . 0.0 111.23 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -51.06 -30.55 16.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.62 1.168 . . . . 0.0 113.21 173.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.88 -33.69 76.16 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 173.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -83.81 -39.94 19.35 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.61 1.564 . . . . 0.0 108.482 -176.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.5 mt -62.72 -38.51 90.74 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.07 168.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -59.93 -41.76 92.49 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.724 -1.235 . . . . 0.0 112.719 172.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -59.68 -37.19 78.11 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 171.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.8 mt -80.17 -40.41 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.355 1.062 . . . . 0.0 112.457 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.501 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 55.3 m-85 -105.84 -25.11 12.3 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.348 1.859 . . . . 0.0 114.802 -169.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.72 -32.19 24.67 Favored Glycine 0 CA--C 1.54 1.654 0 CA-C-O 117.367 -1.796 . . . . 0.0 116.043 171.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.24 -24.94 79.87 Favored 'Trans proline' 0 C--N 1.361 1.23 0 CA-C-N 121.828 2.814 . . . . 0.0 114.141 173.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.6 m-85 -89.96 -44.13 10.09 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.752 1.221 . . . . 0.0 111.564 -177.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.61 -70.69 0.28 Allowed Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.133 1.349 . . . . 0.0 114.512 169.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -63.61 21.2 0.06 OUTLIER 'Trans proline' 0 CA--C 1.545 1.052 1 C-N-CA 125.515 4.144 . . . . 0.0 120.171 -173.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 ptm -49.08 108.91 0.21 Allowed 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 121.487 1.949 . . . . 0.0 109.702 168.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.456 ' HE2' ' C ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -128.28 -21.66 3.52 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.998 1.319 . . . . 0.0 113.631 -164.877 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.37 153.56 47.69 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.621 0.768 . . . . 0.0 109.984 165.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 t -153.67 77.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 124.447 1.099 . . . . 0.0 108.468 -166.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 127.97 34.96 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 169.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.8 mt -133.79 123.96 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 122.396 1.093 . . . . 0.0 109.528 176.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mp -122.24 172.0 8.61 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 127.376 2.27 . . . . 0.0 107.813 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -12.4 -70.24 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 128.861 2.864 . . . . 0.0 114.648 -176.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.99 36.44 1.92 Allowed Glycine 0 CA--C 1.54 1.609 0 C-N-CA 127.11 2.29 . . . . 0.0 112.707 169.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -134.74 149.74 50.48 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.672 1.589 . . . . 0.0 110.664 -173.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -142.09 139.78 32.33 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.7 1.2 . . . . 0.0 111.423 -177.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.71 82.81 1.94 Allowed 'General case' 0 C--O 1.235 0.303 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 -174.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.422 HG22 ' CE2' ' A' ' 52' ' ' PHE . 1.5 t -84.54 158.8 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 113.674 -1.603 . . . . 0.0 108.353 -174.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -144.52 149.73 36.38 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.924 1.238 . . . . 0.0 110.325 -169.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.456 ' C ' ' HE2' ' A' ' 59' ' ' LYS . 22.9 m-85 -128.1 154.53 45.62 Favored 'General case' 0 C--O 1.231 0.084 0 N-CA-C 115.382 1.623 . . . . 0.0 115.382 -177.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -87.74 -7.62 57.11 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.092 1.357 . . . . 0.0 113.041 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -129.02 128.66 44.1 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.496 1.519 . . . . 0.0 110.443 169.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.3 -18.55 61.64 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.737 -0.602 . . . . 0.0 111.919 169.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -66.86 -27.54 67.62 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.339 1.056 . . . . 0.0 113.015 170.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.463 ' HA ' ' CE ' ' A' ' 80' ' ' LYS . 12.5 t -76.34 -33.24 58.98 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 119.67 1.123 . . . . 0.0 111.827 169.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.36 -51.11 68.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 118.476 -0.774 . . . . 0.0 109.627 170.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.9 -52.24 25.59 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 124.932 1.293 . . . . 0.0 113.255 171.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.463 ' CE ' ' HA ' ' A' ' 77' ' ' SER . 1.5 ptpt -67.25 -44.74 78.64 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-O 118.731 -0.652 . . . . 0.0 112.129 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.3 -39.76 88.11 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.785 0.72 . . . . 0.0 110.38 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.409 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 16.7 mt -55.89 -59.81 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 123.581 0.752 . . . . 0.0 109.993 173.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -61.69 -31.86 72.03 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -76.81 -40.36 48.31 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.646 1.579 . . . . 0.0 113.191 -176.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.409 ' CA ' ' HE2' ' A' ' 88' ' ' LYS . 8.2 p -150.84 2.78 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -165.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 9.6 t60 -71.1 127.35 32.29 Favored 'General case' 0 N--CA 1.481 1.104 0 O-C-N 119.123 -2.236 . . . . 0.0 111.815 168.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.31 -9.27 67.68 Favored Glycine 0 N--CA 1.471 0.97 0 C-N-CA 125.444 1.497 . . . . 0.0 112.06 171.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.409 ' HE2' ' CA ' ' A' ' 85' ' ' VAL . 1.9 mppt? -74.24 137.98 43.36 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 127.596 2.358 . . . . 0.0 109.051 169.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.0 p -85.46 105.49 16.12 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 125.395 1.478 . . . . 0.0 111.743 -169.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -103.14 146.91 27.68 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.287 0.635 . . . . 0.0 110.245 173.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 59.84 -66.42 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.665 1.986 . . . . 0.0 114.797 -172.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.46 -2.97 0.06 Allowed 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 128.506 2.722 . . . . 0.0 113.587 -178.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -153.82 160.41 30.97 Favored Pre-proline 0 N--CA 1.486 1.355 0 C-N-CA 125.086 1.354 . . . . 0.0 111.02 -170.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -80.48 163.58 21.7 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.794 1.663 . . . . 0.0 115.56 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.412 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 1.5 mp -101.57 133.45 46.22 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 128.976 2.91 . . . . 0.0 111.911 -173.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -103.05 51.06 0.8 Allowed 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 125.09 2.376 . . . . 0.0 109.596 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.06 101.26 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.66 0 C-N-CA 126.851 2.06 . . . . 0.0 106.877 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.532 HG12 ' H ' ' A' ' 99' ' ' TYR 0.285 0.7 OUTLIER -154.26 -128.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 117.331 -1.748 . . . . 0.0 113.562 -164.194 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.532 ' H ' HG12 ' A' ' 98' ' ' VAL . 11.2 m-30 -107.53 17.34 22.82 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 127.268 2.227 . . . . 0.0 109.547 166.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . 0.449 14.0 t 52.62 11.38 0.19 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 131.289 3.836 . . . . 0.0 119.485 -172.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -152.34 151.47 30.91 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.32 1.048 . . . . 0.0 109.863 167.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.4 mp -60.98 149.98 79.71 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.96 1.304 . . . . 0.0 112.641 -173.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.43 -3.7 11.49 Favored 'Trans proline' 0 CA--C 1.554 1.495 0 C-N-CA 123.761 2.974 . . . . 0.0 114.648 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 C-N-CA 126.699 2.0 . . . . 0.0 111.669 172.618 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.442 HD12 ' H ' ' A' ' 30' ' ' SER . 0.3 OUTLIER 60.05 173.95 0.09 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.969 2.108 . . . . 0.0 113.896 -170.038 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.442 ' H ' HD12 ' A' ' 29' ' ' LEU . 19.5 m -64.48 -23.66 67.35 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.688 1.995 . . . . 0.0 115.935 -176.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.403 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.8 OUTLIER 59.76 -11.49 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 127.371 2.268 . . . . 0.0 116.966 -169.683 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.6 p -138.88 22.69 2.64 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 117.524 2.416 . . . . 0.0 117.524 -165.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -133.14 141.36 48.1 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 121.698 2.044 . . . . 0.0 116.06 -167.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.74 109.89 18.88 Favored 'General case' 0 C--N 1.315 -0.931 0 O-C-N 120.271 -1.518 . . . . 0.0 111.436 -168.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -94.59 102.14 14.05 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 -173.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.306 15.7 t -128.16 102.03 7.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-N 113.485 -1.689 . . . . 0.0 106.955 -160.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.4 ptt-85 -135.82 0.36 0.04 OUTLIER Pre-proline 0 CA--C 1.553 1.069 0 N-CA-C 121.022 3.712 . . . . 0.0 121.022 -165.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -50.91 -36.04 51.61 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.149 2.566 . . . . 0.0 116.501 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -76.5 159.36 79.75 Favored Pre-proline 0 CA--C 1.536 0.412 0 C-N-CA 126.041 1.736 . . . . 0.0 113.964 -168.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -81.0 -167.15 0.47 Allowed 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.935 2.424 . . . . 0.0 111.467 166.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.426 ' H ' HD23 ' A' ' 41' ' ' LEU . 1.6 mm? -44.3 -28.16 0.5 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 127.113 2.165 . . . . 0.0 114.048 175.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.19 -22.24 66.87 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.844 2.057 . . . . 0.0 115.116 -173.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.0 p -68.73 133.83 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 120.896 1.68 . . . . 0.0 111.695 174.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -140.08 178.73 7.06 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.477 1.511 . . . . 0.0 109.267 176.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -22.68 29.81 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.2 m -74.51 -30.69 61.9 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.802 1.241 . . . . 0.0 113.072 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -83.8 -38.12 21.68 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.601 1.56 . . . . 0.0 107.876 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.5 mt -64.85 -34.87 79.4 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.082 167.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -61.05 -39.88 91.53 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 119.315 -2.116 . . . . 0.0 112.453 170.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.42 -39.67 80.41 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 171.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.2 mt -87.48 -41.76 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.638 1.175 . . . . 0.0 114.135 -176.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.444 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 56.5 m-85 -100.36 -21.7 15.33 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.4 2.28 . . . . 0.0 113.442 -169.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -47.58 -35.35 10.99 Favored Glycine 0 CA--C 1.543 1.785 0 CA-C-O 117.481 -1.733 . . . . 0.0 115.654 170.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -61.45 -25.51 79.92 Favored 'Trans proline' 0 C--N 1.355 0.898 0 CA-C-N 121.461 2.631 . . . . 0.0 114.254 173.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.444 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.4 m-30 -85.17 -49.24 8.39 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.899 0.88 . . . . 0.0 111.15 -174.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.7 -71.98 0.44 Allowed Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.129 1.347 . . . . 0.0 115.194 169.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -51.68 -52.25 9.42 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 124.17 3.247 . . . . 0.0 117.725 -169.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.3 ptp 22.53 62.68 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 127.573 2.349 . . . . 0.0 114.204 -173.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -33.97 74.21 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 128.676 2.791 . . . . 0.0 114.005 -167.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -145.03 161.25 39.87 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.297 0.57 . . . . 0.0 112.421 169.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 t -153.29 72.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.328 -163.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -69.3 126.1 28.74 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 170.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 9.5 mt -131.79 126.23 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 119.81 1.186 . . . . 0.0 110.378 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mp -133.34 92.57 3.02 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 127.42 2.288 . . . . 0.0 109.692 -168.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 38.39 38.53 0.23 Allowed 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 117.12 2.267 . . . . 0.0 117.12 168.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.07 -34.78 2.56 Favored Glycine 0 N--CA 1.471 1.018 0 O-C-N 120.28 -1.513 . . . . 0.0 114.57 -175.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -96.58 147.09 24.23 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 124.759 1.223 . . . . 0.0 110.245 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.74 140.18 51.15 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 126.969 2.108 . . . . 0.0 108.076 173.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -133.35 81.06 1.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 176.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.3 t -74.35 163.28 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 112.78 -2.009 . . . . 0.0 107.701 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -153.4 152.7 31.35 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 121.139 -0.976 . . . . 0.0 109.891 -168.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -129.8 160.47 33.36 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.058 1.343 . . . . 0.0 111.436 171.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -86.71 -8.53 57.33 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.87 156.85 47.94 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.486 1.914 . . . . 0.0 111.499 174.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.62 -4.09 47.18 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -74.23 -43.01 58.76 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 120.834 -1.166 . . . . 0.0 112.445 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 t -65.77 -32.37 73.87 Favored 'General case' 0 CA--C 1.514 -0.432 0 O-C-N 121.344 -0.848 . . . . 0.0 112.165 169.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.66 -48.04 76.26 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 118.359 -0.829 . . . . 0.0 111.303 172.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.2 -51.08 57.2 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 124.16 0.984 . . . . 0.0 112.462 172.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -68.64 -40.32 80.32 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.74 -43.77 85.61 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.436 0.694 . . . . 0.0 109.859 176.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.3 mt -56.15 -55.66 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 121.013 -1.054 . . . . 0.0 110.494 174.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.06 -24.06 66.86 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -88.58 -37.42 15.68 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.445 1.498 . . . . 0.0 113.704 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.412 ' CA ' ' HE2' ' A' ' 88' ' ' LYS . 10.9 p -148.51 -9.01 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 116.202 1.927 . . . . 0.0 116.202 -167.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -63.85 118.1 7.89 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 119.423 -2.048 . . . . 0.0 112.906 170.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.99 -1.96 87.76 Favored Glycine 0 N--CA 1.474 1.207 0 C-N-CA 124.474 1.035 . . . . 0.0 111.497 171.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.412 ' HE2' ' CA ' ' A' ' 85' ' ' VAL . 2.3 mppt? -79.76 147.44 31.86 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.98 1.712 . . . . 0.0 106.914 168.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.1 m -95.29 122.95 38.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.095 0.474 . . . . 0.0 111.6 -173.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -110.43 144.76 38.74 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.024 0.929 . . . . 0.0 111.652 169.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.92 -58.73 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 128.794 2.838 . . . . 0.0 115.69 -173.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -155.41 -4.39 0.14 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.771 2.028 . . . . 0.0 114.322 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -162.94 167.05 12.46 Favored Pre-proline 0 CA--C 1.549 0.909 0 CA-C-N 120.556 1.525 . . . . 0.0 112.83 -170.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -84.92 157.96 11.69 Favored 'Trans proline' 0 C--N 1.346 0.409 0 N-CA-C 118.035 2.283 . . . . 0.0 118.035 -170.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -82.35 153.73 25.62 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.565 2.346 . . . . 0.0 113.122 171.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -123.14 53.72 1.29 Allowed 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 125.479 2.562 . . . . 0.0 110.377 175.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 68.0 t -66.41 99.17 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 127.528 2.331 . . . . 0.0 107.677 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.731 ' CG1' ' H ' ' A' ' 99' ' ' TYR 0.298 0.3 OUTLIER -156.25 -104.46 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 CA-C-N 120.707 1.594 . . . . 0.0 113.284 -165.359 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.731 ' H ' ' CG1' ' A' ' 98' ' ' VAL . 8.7 m-85 -125.11 17.07 8.46 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 129.085 2.954 . . . . 0.0 110.526 176.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . 0.47 1.4 p 35.03 3.79 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.582 2 C-N-CA 134.846 5.258 . . . . 0.0 122.266 -171.115 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 52.35 34.37 14.82 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.777 1.631 . . . . 0.0 113.563 173.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 25.1 tp -140.22 121.61 9.46 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 126.745 2.018 . . . . 0.0 108.397 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -84.99 -0.37 9.15 Favored 'Trans proline' 0 CA--C 1.551 1.328 0 C-N-CA 123.725 2.95 . . . . 0.0 115.017 -171.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.926 0 C-N-CA 126.429 1.892 . . . . 0.0 111.529 -175.814 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 CA--C 1.547 0.865 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.468 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 21.9 m-20 51.6 -11.35 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 131.387 3.875 . . . . 0.0 118.834 177.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.413 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 25.4 p -146.77 22.88 1.25 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 -165.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.651 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 19.6 mtt180 -129.76 129.54 44.25 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -166.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.786 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -105.39 111.05 23.63 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.52 -170.406 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.499 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 1.8 t80 -100.12 93.74 5.88 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 125.162 2.411 . . . . 0.0 106.634 -169.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.43 HG12 ' HE1' ' A' ' 39' ' ' PHE 0.273 39.4 t -122.97 92.71 2.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 111.482 -2.599 . . . . 0.0 108.259 -160.095 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.9 ptt-85 -127.64 19.19 0.08 OUTLIER Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 117.581 2.437 . . . . 0.0 117.581 -168.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -72.14 -34.76 7.74 Favored 'Trans proline' 0 C--N 1.354 0.833 0 CA-C-N 122.555 1.948 . . . . 0.0 113.455 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.43 ' HE1' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -76.56 159.01 80.38 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 127.019 2.127 . . . . 0.0 113.021 -169.013 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -80.25 -159.96 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 122.385 2.057 . . . . 0.0 110.0 164.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.589 ' H ' HD22 ' A' ' 41' ' ' LEU . 2.1 mm? -54.27 -13.09 0.77 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.727 1.611 . . . . 0.0 114.79 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.14 -31.54 71.26 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.913 2.085 . . . . 0.0 114.95 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.0 p -69.28 137.29 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 119.95 1.25 . . . . 0.0 111.942 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -142.17 177.23 8.38 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.076 1.35 . . . . 0.0 109.413 171.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -55.96 -22.9 29.0 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -71.19 -33.01 69.56 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.315 1.416 . . . . 0.0 113.707 173.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -83.2 -37.04 24.16 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 125.648 1.579 . . . . 0.0 108.113 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.0 mt -66.11 -37.83 86.72 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.965 168.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -59.54 -39.29 83.46 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 119.68 -1.887 . . . . 0.0 112.477 172.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -60.96 -42.24 97.88 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 171.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.5 mt -84.07 -39.29 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.462 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 31.0 m-85 -100.94 -27.02 13.53 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.771 2.028 . . . . 0.0 112.808 -168.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -46.67 -36.78 8.42 Favored Glycine 0 CA--C 1.544 1.868 0 CA-C-O 117.921 -1.488 . . . . 0.0 115.622 170.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.8 -24.4 78.9 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 123.341 2.694 . . . . 0.0 115.125 173.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -73.94 -39.37 63.83 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.238 1.015 . . . . 0.0 111.098 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.97 -84.39 0.37 Allowed Glycine 0 CA--C 1.533 1.209 0 C-N-CA 125.756 1.646 . . . . 0.0 111.16 -174.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -62.77 164.88 17.45 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.168 2.579 . . . . 0.0 114.317 173.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.6 ptm 175.4 66.05 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 130.296 3.438 . . . . 0.0 107.968 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.41 -31.98 71.7 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 128.509 2.723 . . . . 0.0 113.514 -168.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -139.46 153.03 47.47 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 123.546 0.739 . . . . 0.0 110.339 168.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.1 t -152.13 64.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 124.251 1.02 . . . . 0.0 108.552 -166.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -70.79 117.79 12.75 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -175.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.624 ' C ' HD12 ' A' ' 64' ' ' LEU . 11.1 mm -110.62 125.44 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.985 1.314 . . . . 0.0 110.702 -176.256 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.624 HD12 ' C ' ' A' ' 63' ' ' ILE . 4.3 mp -133.29 178.77 6.65 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.737 2.415 . . . . 0.0 109.903 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -57.63 47.19 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 130.587 3.555 . . . . 0.0 118.026 -169.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.88 6.43 14.23 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 126.157 1.837 . . . . 0.0 112.806 -169.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -132.27 143.17 49.72 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 117.994 0.897 . . . . 0.0 110.901 -173.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.74 135.92 51.74 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 126.832 2.053 . . . . 0.0 107.21 173.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.597 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -127.63 84.74 2.28 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 175.003 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.462 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 2.0 t -77.94 162.27 4.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 112.938 -1.937 . . . . 0.0 107.62 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -156.61 152.73 27.55 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 121.36 -0.838 . . . . 0.0 109.896 -169.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.786 ' CE2' HD21 ' A' ' 34' ' ' LEU . 16.1 m-85 -130.75 161.57 31.42 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.329 1.051 . . . . 0.0 111.178 171.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -88.72 1.03 55.86 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.98 169.84 19.02 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.445 1.898 . . . . 0.0 111.775 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.8 -1.11 50.31 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 -169.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -83.66 -40.04 19.46 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.093 -1.004 . . . . 0.0 112.56 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -62.63 -35.0 78.19 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 117.936 0.335 . . . . 0.0 110.533 169.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -65.83 -51.04 62.3 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.517 -0.739 . . . . 0.0 112.058 173.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.71 -47.64 70.32 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 123.81 0.844 . . . . 0.0 112.46 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.7 -39.05 70.45 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 117.87 -1.062 . . . . 0.0 113.321 175.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.94 -46.2 74.94 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 119.569 1.077 . . . . 0.0 109.302 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.427 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 14.3 mt -54.13 -59.81 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.373 0 C-N-CA 124.553 1.141 . . . . 0.0 110.41 173.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -63.95 -23.0 67.17 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -80.33 -38.42 30.61 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.806 1.643 . . . . 0.0 112.881 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.58 HG13 HG21 ' A' ' 97' ' ' VAL . 7.1 p -152.46 -2.48 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 -166.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 13.4 t60 -63.16 116.84 5.77 Favored 'General case' 0 N--CA 1.483 1.197 0 O-C-N 118.928 -2.357 . . . . 0.0 112.769 169.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.58 -1.29 83.77 Favored Glycine 0 N--CA 1.472 1.087 0 C-N-CA 124.36 0.981 . . . . 0.0 112.658 169.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -74.73 142.72 44.35 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 126.703 2.001 . . . . 0.0 107.491 168.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.9 p -86.81 96.61 10.26 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.136 0.974 . . . . 0.0 112.026 -174.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.527 ' HB2' HD21 ' A' ' 95' ' ' LEU . 12.5 t80 -90.87 140.84 29.43 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.46 -0.775 . . . . 0.0 111.594 173.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.61 -59.26 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 128.536 2.734 . . . . 0.0 116.166 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -155.25 -8.68 0.12 Allowed 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 126.926 2.09 . . . . 0.0 113.287 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -162.38 164.6 16.79 Favored Pre-proline 0 CA--C 1.549 0.94 0 CA-C-N 120.123 1.329 . . . . 0.0 112.988 -176.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.93 157.8 30.96 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 N-CA-C 116.345 1.633 . . . . 0.0 116.345 -177.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.572 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.3 mm? -80.35 162.3 24.59 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.616 2.366 . . . . 0.0 114.133 175.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -130.63 51.34 2.13 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 124.882 2.277 . . . . 0.0 110.008 171.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.58 HG21 HG13 ' A' ' 85' ' ' VAL . 66.7 t -64.21 103.52 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 127.798 2.439 . . . . 0.0 107.337 177.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.516 HG13 ' N ' ' A' ' 99' ' ' TYR . 1.0 OUTLIER -159.95 -135.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.522 0 CA-C-N 121.415 1.916 . . . . 0.0 114.315 -163.221 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.516 ' N ' HG13 ' A' ' 98' ' ' VAL . 12.4 m-30 -106.0 68.34 0.77 Allowed 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 127.096 2.159 . . . . 0.0 106.092 165.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.651 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 41.5 t . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -170.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.548 0.879 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.569 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 24.7 m-20 45.55 -5.12 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.006 1 C-N-CA 132.017 4.127 . . . . 0.0 120.499 175.476 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.8 p -145.24 22.64 1.52 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.652 2.094 . . . . 0.0 116.652 -166.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.505 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 8.6 mpt_? -131.65 130.2 41.79 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.352 1.982 . . . . 0.0 116.352 -166.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.681 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -105.83 111.06 23.57 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 120.982 -1.074 . . . . 0.0 110.946 -170.725 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.416 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 3.2 t80 -103.33 103.6 13.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 125.167 2.413 . . . . 0.0 106.942 -170.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.439 HG12 ' HE1' ' A' ' 39' ' ' PHE 0.307 41.6 t -126.78 91.33 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 111.994 -2.366 . . . . 0.0 106.991 -159.788 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -126.02 19.67 0.08 OUTLIER Pre-proline 0 CA--C 1.553 1.094 0 N-CA-C 119.118 3.007 . . . . 0.0 119.118 -167.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HD2' ' CE1' ' A' ' 39' ' ' PHE . 81.3 Cg_endo -77.87 -28.49 5.05 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.361 2.041 . . . . 0.0 114.982 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.439 ' HE1' HG12 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -79.2 161.69 66.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 C-N-CA 125.208 1.403 . . . . 0.0 113.724 -167.711 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -73.21 -167.67 0.37 Allowed 'Trans proline' 0 N--CA 1.449 -1.141 0 C-N-CA 122.064 1.843 . . . . 0.0 113.514 164.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 mp -69.15 41.98 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 126.781 2.032 . . . . 0.0 113.047 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.2 p30 -129.97 1.46 4.79 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.323 2.249 . . . . 0.0 115.404 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -94.34 139.49 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.607 1.163 . . . . 0.0 109.853 169.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -146.55 175.93 10.21 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.42 1.488 . . . . 0.0 109.421 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -27.62 19.21 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 176.21 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.3 m -72.26 -32.22 66.48 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.512 1.125 . . . . 0.0 113.367 176.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -82.51 -37.02 25.86 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.893 1.277 . . . . 0.0 108.476 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.35 -37.34 87.17 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.317 167.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -61.82 -38.66 88.96 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 120.043 -1.661 . . . . 0.0 112.758 172.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -61.86 -39.38 91.69 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 170.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.3 mt -87.26 -36.01 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.518 1.127 . . . . 0.0 113.302 -174.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.403 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 29.4 m-85 -105.56 -21.37 13.22 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 127.561 2.344 . . . . 0.0 113.373 -171.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.26 -33.76 24.06 Favored Glycine 0 CA--C 1.544 1.891 0 CA-C-O 117.507 -1.719 . . . . 0.0 115.03 169.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -62.42 -26.66 76.75 Favored 'Trans proline' 0 C--N 1.358 1.063 0 CA-C-N 121.43 2.615 . . . . 0.0 114.091 171.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.403 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 3.0 m-30 -78.46 -50.14 12.18 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.734 1.214 . . . . 0.0 109.854 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.72 -66.47 0.41 Allowed Glycine 0 CA--C 1.536 1.357 0 N-CA-C 116.804 1.482 . . . . 0.0 116.804 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -86.45 21.07 1.12 Allowed 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.461 2.774 . . . . 0.0 116.197 -167.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.3 ptm -36.62 91.25 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 127.48 2.312 . . . . 0.0 112.323 170.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.78 -32.9 16.74 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 128.004 2.522 . . . . 0.0 113.213 -166.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.71 156.53 45.04 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.993 0.902 . . . . 0.0 111.998 172.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.6 t -153.45 116.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 113.505 -1.68 . . . . 0.0 108.697 -166.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.12 111.81 16.97 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 -174.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.592 ' C ' HD12 ' A' ' 64' ' ' LEU . 14.6 mm -109.38 123.95 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.981 1.312 . . . . 0.0 109.746 -172.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.592 HD12 ' C ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -135.23 175.73 9.32 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.434 1.894 . . . . 0.0 109.956 -179.09 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -39.35 100.74 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.718 1.607 . . . . 0.0 113.36 167.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.64 -4.53 7.03 Favored Glycine 0 CA--C 1.535 1.33 0 N-CA-C 115.601 1.0 . . . . 0.0 115.601 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -123.42 151.0 43.1 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 122.821 1.296 . . . . 0.0 113.251 -168.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.18 135.29 42.96 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 128.096 2.558 . . . . 0.0 107.293 171.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.575 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -128.83 91.19 3.17 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 173.852 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.4 165.52 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.139 -1.391 . . . . 0.0 108.198 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -158.51 153.98 25.97 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 121.37 -0.831 . . . . 0.0 110.421 -167.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.681 ' CE2' HD21 ' A' ' 34' ' ' LEU . 36.0 m-85 -130.86 166.84 20.01 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.649 1.58 . . . . 0.0 110.485 172.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -93.64 -5.25 49.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.75 -178.93 6.03 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.658 1.583 . . . . 0.0 111.298 170.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.81 -1.01 21.25 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -169.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -76.41 -37.35 57.23 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 120.38 -1.45 . . . . 0.0 111.105 173.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.8 p -59.33 -46.2 89.26 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.275 1.83 . . . . 0.0 111.976 169.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.64 -47.91 83.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 118.492 -0.766 . . . . 0.0 111.483 171.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.78 -47.82 67.27 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.384 0.993 . . . . 0.0 112.63 175.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -69.31 -40.77 77.46 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 118.597 -0.716 . . . . 0.0 112.667 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.29 -46.53 83.05 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.776 0.716 . . . . 0.0 109.661 178.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.45 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 15.7 mt -53.11 -58.43 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 124.637 1.175 . . . . 0.0 110.625 173.073 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -64.27 -22.8 67.07 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -83.21 -36.58 24.51 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.721 1.608 . . . . 0.0 113.19 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.77 HG13 HG21 ' A' ' 97' ' ' VAL . 11.0 p -151.73 -4.28 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 -167.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.45 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 14.2 t60 -64.27 119.05 9.54 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 119.016 -2.303 . . . . 0.0 112.868 169.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.03 -3.44 84.55 Favored Glycine 0 N--CA 1.474 1.233 0 C-N-CA 124.28 0.943 . . . . 0.0 112.259 169.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -72.78 142.63 48.09 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.915 2.086 . . . . 0.0 107.723 169.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.3 p -91.04 100.16 13.06 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.283 1.033 . . . . 0.0 111.954 -173.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.54 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.3 t80 -94.28 142.08 27.82 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.571 -0.705 . . . . 0.0 111.224 173.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 56.93 -62.38 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 128.117 2.567 . . . . 0.0 115.851 -176.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -153.72 -4.28 0.19 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.617 1.967 . . . . 0.0 114.001 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -159.12 160.91 28.7 Favored Pre-proline 0 CA--C 1.548 0.874 0 CA-C-N 119.74 1.155 . . . . 0.0 112.579 -172.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -80.53 158.44 22.22 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 N-CA-C 116.161 1.562 . . . . 0.0 116.161 -172.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.582 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.1 mm? -81.74 155.5 25.46 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.882 2.073 . . . . 0.0 113.096 174.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -124.86 48.1 2.04 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 125.011 2.339 . . . . 0.0 109.316 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.77 HG21 HG13 ' A' ' 85' ' ' VAL . 60.3 t -66.13 102.44 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 128.01 2.524 . . . . 0.0 107.129 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.659 HG13 ' H ' ' A' ' 99' ' ' TYR 0.266 1.6 p -157.82 -127.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 120.619 1.554 . . . . 0.0 114.025 -163.025 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.659 ' H ' HG13 ' A' ' 98' ' ' VAL . 14.5 m-30 -109.08 23.9 13.88 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.348 2.259 . . . . 0.0 110.404 168.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.505 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.276 32.6 t . . . . . 0 N--CA 1.469 0.496 0 C-N-CA 129.115 2.966 . . . . 0.0 117.397 -168.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.514 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.7 OUTLIER 63.3 2.57 1.16 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 128.608 2.763 . . . . 0.0 116.176 167.444 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.7 p -150.8 22.72 0.78 Allowed 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -164.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 36.1 mtt180 -135.84 136.46 40.64 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 121.742 2.065 . . . . 0.0 116.087 -164.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.733 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -115.55 118.88 34.38 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 120.514 -1.366 . . . . 0.0 112.512 -167.819 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -105.44 98.68 8.34 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 125.054 2.359 . . . . 0.0 106.182 -168.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.407 HG12 ' HE1' ' A' ' 39' ' ' PHE 0.31 25.2 t -126.42 95.69 3.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 111.961 -2.381 . . . . 0.0 107.076 -159.875 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.443 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -131.66 5.69 0.04 OUTLIER Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 120.94 3.681 . . . . 0.0 120.94 -164.179 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 65.0 Cg_exo -57.84 -41.32 70.7 Favored 'Trans proline' 0 C--N 1.353 0.789 0 CA-C-N 123.607 2.324 . . . . 0.0 115.848 175.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.407 ' HE1' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -70.34 164.01 57.43 Favored Pre-proline 0 CA--C 1.534 0.365 0 C-N-CA 126.076 1.751 . . . . 0.0 114.446 -167.283 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -84.2 -170.64 0.87 Allowed 'Trans proline' 0 CA--C 1.546 1.106 0 C-N-CA 122.732 2.288 . . . . 0.0 110.774 164.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 mp -53.64 -18.32 2.88 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.423 1.489 . . . . 0.0 114.094 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.06 -21.51 66.22 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.605 1.962 . . . . 0.0 114.942 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -66.65 135.76 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 120.567 1.53 . . . . 0.0 111.133 170.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -139.19 178.8 6.92 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.028 1.331 . . . . 0.0 109.45 176.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 pm0 -57.7 -22.53 46.84 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.794 -1.191 . . . . 0.0 113.865 174.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -32.08 71.69 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 120.135 1.334 . . . . 0.0 113.858 171.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -85.43 -38.5 18.6 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 125.721 1.608 . . . . 0.0 107.824 -176.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.446 ' CD1' HD11 ' A' ' 63' ' ' ILE . 78.6 mt -62.8 -39.03 92.98 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.894 166.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -59.54 -38.31 80.71 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 119.599 -1.938 . . . . 0.0 112.119 174.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -59.7 -42.75 93.71 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 172.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.6 mt -83.56 -44.94 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 C-N-CA 124.597 1.159 . . . . 0.0 113.877 -177.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.426 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 47.7 m-85 -94.34 -26.91 16.36 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 127.873 2.469 . . . . 0.0 113.316 -169.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -45.82 -36.74 6.77 Favored Glycine 0 CA--C 1.543 1.784 0 CA-C-O 117.596 -1.669 . . . . 0.0 115.762 173.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.04 -23.49 77.53 Favored 'Trans proline' 0 CA--C 1.545 1.055 0 CA-C-N 121.384 2.592 . . . . 0.0 114.766 174.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.426 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.4 m-30 -78.01 -37.73 46.45 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.904 0.882 . . . . 0.0 111.39 -176.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.49 -80.51 0.27 Allowed Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.332 1.444 . . . . 0.0 111.573 -173.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.93 157.44 28.89 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.293 2.662 . . . . 0.0 113.652 171.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.7 ptm 173.98 60.95 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 130.742 3.617 . . . . 0.0 107.786 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -67.57 -29.2 68.51 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 128.385 2.674 . . . . 0.0 114.353 -168.422 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.57 160.06 42.21 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.998 0.904 . . . . 0.0 111.811 170.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.9 t -153.34 115.2 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 126.709 2.003 . . . . 0.0 107.239 -166.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.21 109.37 14.4 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 -176.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.519 ' C ' HD12 ' A' ' 64' ' ' LEU . 42.9 mt -122.64 124.5 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-O 122.408 1.099 . . . . 0.0 110.832 -168.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.519 HD12 ' C ' ' A' ' 63' ' ' ILE . 3.7 mp -128.5 -176.9 3.96 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 129.292 3.037 . . . . 0.0 108.995 -170.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -51.63 39.21 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.328 1 C-N-CA 132.298 4.239 . . . . 0.0 118.862 -174.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.6 9.1 7.9 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 127.039 2.257 . . . . 0.0 113.257 -169.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -133.77 146.96 51.21 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.126 0.963 . . . . 0.0 111.756 -170.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -132.13 133.51 44.36 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 127.745 2.418 . . . . 0.0 108.427 173.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.434 ' HE1' HD13 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -123.74 93.59 3.98 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 171.071 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.433 ' HB ' HD23 ' A' ' 34' ' ' LEU . 1.9 t -86.39 162.58 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.117 -1.401 . . . . 0.0 108.033 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -151.68 150.53 30.34 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.33 -0.856 . . . . 0.0 110.443 -168.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.733 ' CE2' HD21 ' A' ' 34' ' ' LEU . 24.2 m-85 -127.09 160.84 29.96 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -98.22 9.94 41.78 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.796 1.638 . . . . 0.0 111.137 167.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -142.42 108.24 5.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.154 2.182 . . . . 0.0 109.225 -169.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.77 -26.94 67.61 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.558 -0.714 . . . . 0.0 112.708 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -70.71 -21.79 62.52 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.21 -0.931 . . . . 0.0 112.726 172.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.405 ' HA ' ' HE2' ' A' ' 80' ' ' LYS . 8.9 t -72.24 -40.54 67.64 Favored 'General case' 0 CA--C 1.511 -0.531 0 O-C-N 120.749 -1.219 . . . . 0.0 110.409 169.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.05 87.89 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.998 0.817 . . . . 0.0 111.339 170.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.57 -53.48 37.63 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 119.412 1.005 . . . . 0.0 113.042 174.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.405 ' HE2' ' HA ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -70.03 -38.4 75.88 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 118.392 -0.813 . . . . 0.0 112.932 178.288 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.53 -44.93 81.3 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.076 0.853 . . . . 0.0 109.317 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.423 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 14.7 mt -55.07 -58.5 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.191 0.996 . . . . 0.0 109.921 173.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -63.81 -23.46 67.37 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.78 -36.78 23.33 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.196 1.799 . . . . 0.0 113.105 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.714 HG13 HG21 ' A' ' 97' ' ' VAL . 7.1 p -150.06 -11.58 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 -167.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 7.5 t60 -63.84 116.77 6.1 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 119.207 -2.183 . . . . 0.0 111.114 168.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.05 3.17 55.87 Favored Glycine 0 N--CA 1.471 0.974 0 C-N-CA 123.827 0.727 . . . . 0.0 112.266 172.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -97.96 132.81 43.21 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 126.585 1.954 . . . . 0.0 108.505 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.2 p -78.87 98.75 6.47 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 124.619 1.168 . . . . 0.0 113.291 -169.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.544 ' HB2' HD21 ' A' ' 95' ' ' LEU . 3.5 t80 -97.99 143.7 28.29 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.504 -0.747 . . . . 0.0 110.665 169.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.01 -60.51 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 128.658 2.783 . . . . 0.0 117.087 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -150.83 -9.98 0.24 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.715 2.006 . . . . 0.0 113.988 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -158.19 163.38 24.66 Favored Pre-proline 0 N--CA 1.474 0.728 0 C-N-CA 124.522 1.129 . . . . 0.0 111.606 -171.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.8 150.37 30.57 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 CA-C-O 123.025 1.177 . . . . 0.0 114.42 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 90' ' ' PHE . 1.9 mm? -69.82 153.88 42.72 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 113.695 -1.593 . . . . 0.0 112.331 170.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -125.71 50.35 1.84 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 125.552 2.596 . . . . 0.0 109.666 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.714 HG21 HG13 ' A' ' 85' ' ' VAL . 55.1 t -68.19 110.54 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 128.561 2.744 . . . . 0.0 107.621 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.572 HG13 ' H ' ' A' ' 99' ' ' TYR 0.266 0.9 OUTLIER -158.94 -131.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 121.287 1.858 . . . . 0.0 115.389 -163.652 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.572 ' H ' HG13 ' A' ' 98' ' ' VAL . 17.5 m-30 -107.59 51.37 0.74 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.28 2.232 . . . . 0.0 107.766 167.297 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.594 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 13.5 m . . . . . 0 N--CA 1.478 0.926 0 C-N-CA 125.727 1.611 . . . . 0.0 114.419 -169.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 CA--C 1.54 0.582 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.495 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 25.5 m-80 53.67 -6.44 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 129.107 2.963 . . . . 0.0 118.533 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.481 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 18.5 p -144.44 18.78 1.7 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 -166.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.623 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 28.9 mtt180 -126.0 126.68 44.69 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 116.782 2.141 . . . . 0.0 116.782 -165.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.731 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -105.02 107.62 18.7 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 121.065 -1.022 . . . . 0.0 110.818 -169.854 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.419 ' HB2' ' HB2' ' A' ' 100' ' ' SER 0.25 0.9 OUTLIER -97.18 93.78 6.74 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-O 126.03 2.824 . . . . 0.0 107.17 -170.614 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.326 21.5 t -120.49 102.77 12.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 110.658 -2.974 . . . . 0.0 106.853 -160.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.486 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 14.2 ptt-85 -134.49 -9.36 0.03 OUTLIER Pre-proline 0 CA--C 1.55 0.951 0 N-CA-C 120.131 3.382 . . . . 0.0 120.131 -165.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.486 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 7.4 Cg_exo -49.42 -33.99 31.39 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 124.033 3.155 . . . . 0.0 117.946 177.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.07 160.4 80.52 Favored Pre-proline 0 C--O 1.237 0.435 0 C-N-CA 125.771 1.628 . . . . 0.0 113.615 -170.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.97 -173.17 1.77 Allowed 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.013 1.808 . . . . 0.0 110.894 165.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.2 mp -56.44 -13.54 2.36 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.186 1.394 . . . . 0.0 114.595 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -68.12 -10.14 51.77 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.722 2.009 . . . . 0.0 115.442 177.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.78 148.7 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-N 120.331 1.423 . . . . 0.0 112.225 172.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -165.56 -169.1 1.48 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.287 1.435 . . . . 0.0 110.643 168.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.82 -20.98 17.24 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -175.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 t -71.82 -34.25 69.16 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.394 1.452 . . . . 0.0 113.104 172.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -85.92 -38.53 17.92 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 125.837 1.655 . . . . 0.0 107.888 -174.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.6 mt -63.44 -37.34 86.92 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.179 165.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.59 -44.42 85.36 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 119.862 -1.774 . . . . 0.0 112.623 171.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -60.84 -41.45 95.82 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.8 mt -83.3 -37.64 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.177 0.991 . . . . 0.0 112.912 -174.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.441 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 34.0 m-85 -101.97 -18.92 15.44 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.152 1.781 . . . . 0.0 113.438 -169.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -47.02 -34.49 7.57 Favored Glycine 0 CA--C 1.542 1.737 0 CA-C-O 117.685 -1.619 . . . . 0.0 115.555 169.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -63.58 -24.7 69.8 Favored 'Trans proline' 0 C--N 1.357 0.979 0 CA-C-N 121.546 2.673 . . . . 0.0 114.491 173.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.407 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.7 m-30 -87.93 -47.72 8.34 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.674 0.79 . . . . 0.0 111.081 -172.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.62 -74.94 0.37 Allowed Glycine 0 CA--C 1.538 1.498 0 N-CA-C 116.359 1.303 . . . . 0.0 116.359 169.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -81.74 33.66 0.53 Allowed 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 124.271 3.314 . . . . 0.0 116.503 -166.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.0 ptp -44.57 106.52 0.07 Allowed 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 120.11 1.323 . . . . 0.0 110.657 168.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -103.72 -44.09 5.17 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 125.346 1.458 . . . . 0.0 113.354 -167.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.03 157.15 43.8 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.202 170.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.433 HG12 HD11 ' A' ' 63' ' ' ILE . 2.9 t -154.2 65.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.184 -164.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -72.59 109.95 6.61 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.701 0.8 . . . . 0.0 109.435 -175.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.531 ' C ' HD12 ' A' ' 64' ' ' LEU . 7.1 mm -106.75 124.09 62.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.217 1.007 . . . . 0.0 109.647 -177.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.57 HD13 ' CE2' ' A' ' 69' ' ' PHE . 4.9 mp -133.82 95.5 3.47 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 124.507 1.123 . . . . 0.0 110.315 -177.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 53.48 -104.27 0.2 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.465 0.706 . . . . 0.0 110.616 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.14 -7.12 83.8 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 126.451 1.977 . . . . 0.0 116.183 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -109.68 155.14 21.89 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.278 1.539 . . . . 0.0 112.594 -169.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.39 130.72 28.83 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 126.56 1.944 . . . . 0.0 108.947 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.57 ' CE2' HD13 ' A' ' 64' ' ' LEU . 2.9 m-85 -121.55 85.44 2.41 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 167.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.461 ' HB ' HD23 ' A' ' 34' ' ' LEU . 2.1 t -70.74 160.94 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 113.833 -1.53 . . . . 0.0 108.096 172.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -150.79 151.13 31.87 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 124.102 0.961 . . . . 0.0 108.821 -172.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.731 ' CE2' HD21 ' A' ' 34' ' ' LEU . 24.0 m-85 -129.27 163.26 26.03 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.522 1.129 . . . . 0.0 112.439 174.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -91.72 -3.23 56.49 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 121.763 0.792 . . . . 0.0 110.58 165.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -121.38 101.86 7.9 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 128.101 2.56 . . . . 0.0 109.097 -169.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.4 -20.81 63.48 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 121.461 -0.774 . . . . 0.0 112.647 173.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -70.29 -24.72 63.08 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.998 -1.064 . . . . 0.0 112.337 169.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.526 ' HA ' ' CE ' ' A' ' 80' ' ' LYS . 9.1 t -77.61 -31.58 53.02 Favored 'General case' 0 CA--C 1.502 -0.871 0 O-C-N 120.876 -1.14 . . . . 0.0 111.702 169.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.481 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -62.38 -49.95 73.48 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 119.02 0.827 . . . . 0.0 109.779 169.441 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.68 -50.39 54.98 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.705 1.202 . . . . 0.0 113.073 171.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.526 ' CE ' ' HA ' ' A' ' 77' ' ' SER . 1.5 ptpt -69.94 -40.33 75.54 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.464 -0.773 . . . . 0.0 112.915 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.26 -43.49 92.46 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.907 0.883 . . . . 0.0 109.353 176.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.452 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 15.9 mt -55.75 -57.37 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 121.298 -0.876 . . . . 0.0 110.534 173.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -61.78 -24.51 66.89 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.84 -37.75 18.86 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.348 1.459 . . . . 0.0 113.01 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.638 HG13 HG21 ' A' ' 97' ' ' VAL . 13.8 p -152.48 -3.6 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -166.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.452 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 11.5 t60 -66.49 121.14 14.65 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 119.123 -2.235 . . . . 0.0 112.186 169.11 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.46 -2.74 83.31 Favored Glycine 0 N--CA 1.472 1.09 0 C-N-CA 123.859 0.742 . . . . 0.0 112.304 169.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -75.97 139.89 41.77 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 127.099 2.16 . . . . 0.0 107.936 169.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.9 p -86.16 89.42 7.83 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.956 0.903 . . . . 0.0 112.405 -171.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.552 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.9 t80 -80.85 140.09 35.59 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.587 -0.696 . . . . 0.0 111.065 174.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.23 -60.56 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 128.332 2.653 . . . . 0.0 115.378 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -155.1 -4.15 0.14 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.858 2.063 . . . . 0.0 114.252 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -159.13 162.61 25.83 Favored Pre-proline 0 N--CA 1.478 0.958 0 CA-C-N 120.192 1.36 . . . . 0.0 111.946 -171.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -84.5 146.89 11.0 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 N-CA-C 116.113 1.543 . . . . 0.0 116.113 -171.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' ' 90' ' ' PHE . 2.3 mm? -64.41 160.29 19.44 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.068 2.147 . . . . 0.0 113.278 169.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -129.98 52.08 2.03 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 124.764 2.221 . . . . 0.0 109.757 169.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.638 HG21 HG13 ' A' ' 85' ' ' VAL . 54.3 t -62.46 105.7 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 127.552 2.341 . . . . 0.0 107.519 175.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -158.89 -137.25 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-N 121.059 1.754 . . . . 0.0 113.422 -163.581 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.495 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 15.7 m-30 -106.71 53.22 0.7 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.616 1.966 . . . . 0.0 107.945 167.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.623 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 23.1 t . . . . . 0 N--CA 1.482 1.144 0 C-N-CA 125.412 1.485 . . . . 0.0 114.497 -169.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.494 ' HA ' ' CD1' ' A' ' 99' ' ' TYR 0.339 6.8 p30 47.44 -7.02 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 119.876 3.288 . . . . 0.0 119.876 -176.714 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.45 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 7.5 p -144.07 20.01 1.77 Allowed 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 -169.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.624 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 13.3 mtt180 -125.23 130.57 52.35 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 117.597 2.443 . . . . 0.0 117.597 -165.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.696 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -109.74 115.42 29.83 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.103 -0.998 . . . . 0.0 110.22 -169.298 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -103.25 97.32 7.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 124.764 2.221 . . . . 0.0 105.525 -169.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.277 14.8 t -126.17 92.02 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 112.279 -2.237 . . . . 0.0 107.479 -160.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.525 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -128.17 -2.99 0.05 OUTLIER Pre-proline 0 CA--C 1.55 0.974 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 -165.848 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.525 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 73.4 Cg_exo -59.95 -22.01 67.07 Favored 'Trans proline' 0 C--N 1.354 0.83 0 CA-C-N 123.435 2.262 . . . . 0.0 117.82 177.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -79.19 164.21 55.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 C-N-CA 124.525 1.13 . . . . 0.0 112.88 -168.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -83.7 -179.25 4.03 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 121.418 1.412 . . . . 0.0 110.958 164.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 mp -51.75 -20.66 2.25 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.815 1.646 . . . . 0.0 113.94 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.52 -22.75 65.42 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.002 2.121 . . . . 0.0 115.184 176.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.68 144.48 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 CA-C-N 121.345 1.884 . . . . 0.0 111.59 175.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -150.35 172.28 15.64 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 124.574 1.15 . . . . 0.0 110.175 -173.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -47.3 -35.0 7.33 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.61 1.164 . . . . 0.0 112.515 169.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -66.82 -32.79 74.29 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 120.172 1.351 . . . . 0.0 114.594 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -84.39 -37.01 22.03 Favored 'General case' 0 C--N 1.34 0.192 0 O-C-N 120.149 -1.594 . . . . 0.0 109.388 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.6 mt -63.14 -37.73 88.38 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.855 -1.066 . . . . 0.0 108.899 167.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -62.24 -42.34 99.24 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 120.322 -1.486 . . . . 0.0 112.14 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -58.34 -41.52 84.81 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 172.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.9 mt -86.84 -39.15 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.239 1.016 . . . . 0.0 112.874 -172.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.48 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 29.9 m-85 -101.1 -22.43 14.71 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.617 1.967 . . . . 0.0 113.476 -171.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -47.05 -36.58 9.24 Favored Glycine 0 CA--C 1.539 1.593 0 CA-C-O 117.882 -1.51 . . . . 0.0 115.617 169.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.45 -25.22 79.53 Favored 'Trans proline' 0 C--N 1.356 0.934 0 CA-C-N 121.269 2.535 . . . . 0.0 114.456 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.9 m-30 -81.17 -42.12 21.33 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.937 0.895 . . . . 0.0 111.349 -177.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.63 -80.55 0.27 Allowed Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.536 1.541 . . . . 0.0 113.458 174.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_exo -67.86 41.79 0.23 Allowed 'Trans proline' 0 CA--C 1.546 1.09 0 C-N-CA 125.056 3.838 . . . . 0.0 118.458 -174.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.8 ptm -62.62 67.23 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 127.116 2.166 . . . . 0.0 113.035 168.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.41 -34.95 76.93 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 129.463 3.105 . . . . 0.0 115.145 -167.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -147.26 152.74 38.81 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 123.901 0.88 . . . . 0.0 112.331 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 t -152.76 88.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 114.437 -1.256 . . . . 0.0 110.749 -163.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -69.79 140.35 53.35 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 166.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.571 ' C ' HD22 ' A' ' 64' ' ' LEU . 10.1 mm -130.54 127.84 62.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.569 1.548 . . . . 0.0 109.6 175.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.571 HD22 ' C ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER -140.0 171.36 14.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 127.217 2.207 . . . . 0.0 109.88 -171.162 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.05 97.83 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.483 1.513 . . . . 0.0 113.552 167.013 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.86 -7.61 5.25 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 115.175 0.83 . . . . 0.0 115.175 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -122.69 148.58 45.13 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 122.861 1.315 . . . . 0.0 111.941 -168.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.57 137.04 45.31 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 127.384 2.273 . . . . 0.0 107.513 172.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -125.99 86.79 2.58 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 173.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.547 ' HB ' HD23 ' A' ' 34' ' ' LEU . 1.8 t -77.9 159.19 4.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 113.225 -1.807 . . . . 0.0 107.486 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -153.3 147.77 26.02 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -171.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.696 ' CE2' HD21 ' A' ' 34' ' ' LEU . 11.1 m-85 -127.45 164.8 21.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.984 0.897 . . . . 0.0 112.628 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -92.42 -6.87 49.1 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.893 0.877 . . . . 0.0 112.718 171.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -126.74 128.47 46.7 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.079 1.352 . . . . 0.0 111.826 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.94 -24.29 65.94 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.423 0.689 . . . . 0.0 112.293 169.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -65.61 -28.36 69.06 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.092 0.957 . . . . 0.0 112.678 172.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.55 ' HA ' ' CE ' ' A' ' 80' ' ' LYS . 10.5 t -73.3 -35.47 66.12 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 119.066 0.848 . . . . 0.0 111.732 169.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.45 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -63.37 -48.66 77.0 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 119.773 1.169 . . . . 0.0 110.869 171.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.76 -51.91 35.63 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.723 1.147 . . . . 0.0 112.926 172.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.55 ' CE ' ' HA ' ' A' ' 77' ' ' SER . 1.2 ptpt -69.31 -42.21 75.72 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.534 -0.729 . . . . 0.0 112.613 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.32 -42.46 91.46 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.101 0.96 . . . . 0.0 109.864 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.478 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 17.4 mt -55.63 -58.52 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.067 0.947 . . . . 0.0 109.901 174.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -63.0 -24.56 67.98 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -81.47 -38.49 26.28 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.18 1.392 . . . . 0.0 113.32 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.696 HG13 HG21 ' A' ' 97' ' ' VAL . 9.4 p -151.6 -6.41 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 116.334 1.976 . . . . 0.0 116.334 -167.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.478 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 9.4 t60 -66.23 122.52 17.66 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 119.077 -2.264 . . . . 0.0 112.227 169.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.54 -4.68 73.25 Favored Glycine 0 N--CA 1.472 1.099 0 C-N-CA 123.846 0.736 . . . . 0.0 111.979 169.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -78.69 140.97 38.28 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 127.074 2.15 . . . . 0.0 108.152 171.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 65.1 p -89.73 104.59 17.14 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.576 1.15 . . . . 0.0 112.542 -170.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.576 ' HB2' HD21 ' A' ' 95' ' ' LEU . 2.6 t80 -102.26 145.17 29.82 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.63 -0.669 . . . . 0.0 111.006 172.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 53.04 -58.51 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 128.724 2.81 . . . . 0.0 117.995 176.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -144.02 -13.05 0.64 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.624 1.569 . . . . 0.0 114.316 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -165.08 168.69 8.27 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 124.42 1.088 . . . . 0.0 112.069 -168.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -76.37 148.66 30.39 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 N-CA-C 116.417 1.661 . . . . 0.0 116.417 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.576 HD21 ' HB2' ' A' ' 90' ' ' PHE . 1.9 mm? -66.9 153.68 42.89 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 127.011 2.124 . . . . 0.0 112.311 169.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -129.88 50.06 2.21 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 125.268 2.461 . . . . 0.0 109.434 -176.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.696 HG21 HG13 ' A' ' 85' ' ' VAL . 55.6 t -68.1 104.41 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 128.181 2.592 . . . . 0.0 107.366 -178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 99' ' ' TYR . 1.5 p -159.37 -135.47 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 121.281 1.855 . . . . 0.0 114.01 -162.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.494 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 10.7 m-30 -107.92 68.51 0.71 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 103.635 -2.728 . . . . 0.0 103.635 164.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.624 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 13.6 t . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -167.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.405 ' HA ' ' CG ' ' A' ' 99' ' ' TYR . 2.3 m-20 45.66 -2.37 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.21 1 C-N-CA 132.712 4.405 . . . . 0.0 120.469 174.549 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.7 p -144.66 27.26 1.36 Allowed 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.362 1.892 . . . . 0.0 114.867 -166.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.571 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 35.0 mtt180 -133.29 132.15 41.02 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 -165.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.599 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -108.61 106.21 16.17 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 113.892 -1.504 . . . . 0.0 109.935 -169.854 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.51 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 1.1 t80 -99.15 96.57 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 125.524 2.583 . . . . 0.0 106.637 -169.331 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.447 HG21 ' HZ ' ' A' ' 52' ' ' PHE 0.306 24.3 t -122.3 96.43 4.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 111.332 -2.667 . . . . 0.0 108.041 -159.299 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.7 ptt-85 -132.72 14.53 0.05 OUTLIER Pre-proline 0 CA--C 1.555 1.166 0 N-CA-C 119.766 3.247 . . . . 0.0 119.766 -166.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HD2' ' CE1' ' A' ' 39' ' ' PHE . 61.2 Cg_endo -69.4 -36.34 11.94 Favored 'Trans proline' 0 C--N 1.355 0.889 0 CA-C-N 123.574 2.312 . . . . 0.0 113.966 177.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.411 ' CE1' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -71.22 152.38 94.47 Favored Pre-proline 0 C--N 1.327 -0.384 0 C-N-CA 126.58 1.952 . . . . 0.0 112.156 -173.623 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.9 -157.08 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.127 0 C-N-CA 121.925 1.75 . . . . 0.0 110.014 164.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.522 ' H ' HD22 ' A' ' 41' ' ' LEU . 2.6 mm? -53.31 -12.7 0.44 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.59 1.556 . . . . 0.0 114.965 176.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.54 -31.4 70.5 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.315 1.846 . . . . 0.0 115.357 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.3 p -76.17 136.62 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 119.775 1.171 . . . . 0.0 111.973 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.0 172.61 12.44 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.258 1.423 . . . . 0.0 109.405 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -53.66 -29.67 39.59 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.92 0.888 . . . . 0.0 113.179 174.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -67.47 -33.86 75.99 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 172.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -82.67 -38.52 23.33 Favored 'General case' 0 C--N 1.334 -0.106 0 O-C-N 120.235 -1.54 . . . . 0.0 108.288 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.1 mt -64.62 -35.62 81.59 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.022 0.929 . . . . 0.0 109.806 168.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -59.79 -45.43 92.33 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 120.19 -1.569 . . . . 0.0 112.169 169.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -62.01 -35.34 78.25 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.3 mt -92.68 -31.28 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.326 1.05 . . . . 0.0 112.627 -172.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.447 ' HZ ' HG21 ' A' ' 36' ' ' VAL . 19.7 m-85 -108.41 -18.22 13.8 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.448 1.499 . . . . 0.0 113.375 -172.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.85 -33.51 28.2 Favored Glycine 0 CA--C 1.545 1.928 0 CA-C-O 117.325 -1.819 . . . . 0.0 114.452 167.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.76 -28.36 81.87 Favored 'Trans proline' 0 C--N 1.356 0.968 0 CA-C-N 121.781 2.79 . . . . 0.0 114.208 171.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -82.12 -51.83 7.6 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.355 1.062 . . . . 0.0 109.848 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.85 -75.11 0.4 Allowed Glycine 0 CA--C 1.536 1.368 0 N-CA-C 117.325 1.69 . . . . 0.0 117.325 167.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -78.19 32.29 0.45 Allowed 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 124.436 3.424 . . . . 0.0 116.024 -166.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -46.88 99.93 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.439 1.496 . . . . 0.0 111.412 168.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.424 ' HE2' ' C ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -109.79 -24.72 10.73 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 126.39 1.876 . . . . 0.0 112.469 -167.667 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -139.33 154.55 47.91 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.31 0.576 . . . . 0.0 109.848 163.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t -151.47 66.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 125.528 1.531 . . . . 0.0 107.497 -168.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.1 mtpp -65.82 120.73 13.56 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.601 ' C ' HD12 ' A' ' 64' ' ' LEU . 9.8 mm -114.1 124.67 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.214 1.006 . . . . 0.0 110.275 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.601 HD12 ' C ' ' A' ' 63' ' ' ILE . 3.6 mp -133.42 -179.66 5.65 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.412 2.285 . . . . 0.0 110.267 -178.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -54.35 44.49 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.348 1 C-N-CA 131.859 4.064 . . . . 0.0 118.233 -171.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.04 14.93 10.39 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 126.175 1.845 . . . . 0.0 112.551 -169.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -135.46 144.86 46.65 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.347 1.073 . . . . 0.0 111.376 -177.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.69 137.54 53.28 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 127.561 2.344 . . . . 0.0 107.801 172.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.585 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -130.67 82.75 2.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 175.384 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.538 ' HB ' HD23 ' A' ' 34' ' ' LEU . 1.7 t -73.31 159.51 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 113.782 -1.554 . . . . 0.0 107.974 177.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -153.19 147.64 25.98 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 121.14 -0.975 . . . . 0.0 110.135 -170.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.599 ' CE2' HD21 ' A' ' 34' ' ' LEU . 14.8 m-85 -130.64 162.3 29.68 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.283 1.033 . . . . 0.0 113.603 177.053 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.97 -8.83 59.85 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -175.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.55 179.58 7.7 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.251 1.82 . . . . 0.0 110.913 172.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.25 -2.18 34.48 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -174.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -76.09 -40.09 53.84 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 120.556 -1.34 . . . . 0.0 111.27 176.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 p -58.51 -44.03 89.35 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 126.221 1.809 . . . . 0.0 111.666 169.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.06 -46.38 89.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 117.997 -1.001 . . . . 0.0 111.363 171.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.26 -49.34 67.09 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.835 1.198 . . . . 0.0 112.459 176.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -67.95 -41.29 82.73 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 174.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.45 -44.41 89.22 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 119.24 0.927 . . . . 0.0 109.54 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.422 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 17.1 mt -53.23 -59.28 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.722 1.209 . . . . 0.0 109.948 172.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -61.05 -27.6 68.46 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -177.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.9 -38.27 28.28 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.223 1.409 . . . . 0.0 113.76 -178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.75 HG13 HG21 ' A' ' 97' ' ' VAL . 7.9 p -147.35 -4.81 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 -167.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 10.6 t60 -66.32 124.54 22.99 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 119.281 -2.137 . . . . 0.0 112.418 169.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.92 -2.25 87.77 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 125.12 1.343 . . . . 0.0 112.321 170.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.403 ' HE2' ' HA ' ' A' ' 85' ' ' VAL . 1.3 mppt? -77.01 143.27 39.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 126.419 1.888 . . . . 0.0 107.558 168.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.3 p -92.49 93.91 8.81 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 124.759 1.224 . . . . 0.0 112.141 -169.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.522 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.3 t80 -87.37 141.75 28.4 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 122.077 -0.39 . . . . 0.0 111.32 174.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.22 -62.55 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 128.31 2.644 . . . . 0.0 115.707 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -152.77 -5.18 0.21 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.131 1.772 . . . . 0.0 113.992 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -159.6 168.71 11.65 Favored Pre-proline 0 CA--C 1.552 1.051 0 CA-C-N 119.906 1.23 . . . . 0.0 112.148 -174.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -82.09 160.27 18.05 Favored 'Trans proline' 0 C--N 1.352 0.746 0 N-CA-C 116.784 1.801 . . . . 0.0 116.784 -171.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.608 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.1 mm? -82.82 153.47 25.17 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.024 2.129 . . . . 0.0 113.03 170.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -120.29 51.42 1.21 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 124.583 2.135 . . . . 0.0 109.816 170.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.75 HG21 HG13 ' A' ' 85' ' ' VAL . 62.0 t -62.7 104.01 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.923 2.089 . . . . 0.0 107.084 175.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.658 HG13 ' H ' ' A' ' 99' ' ' TYR 0.263 0.8 OUTLIER -158.26 -129.9 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 121.007 1.731 . . . . 0.0 112.975 -164.214 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.658 ' H ' HG13 ' A' ' 98' ' ' VAL . 15.8 m-30 -105.84 11.34 32.0 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.067 2.147 . . . . 0.0 111.445 168.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.571 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.34 21.3 t . . . . . 0 N--CA 1.481 1.118 2 C-N-CA 133.202 4.601 . . . . 0.0 122.184 -169.62 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.3 m . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 116.91 2.189 . . . . 0.0 116.91 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.54 ' HA ' ' CD1' ' A' ' 99' ' ' TYR 0.316 2.3 p30 52.37 -4.33 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 128.256 2.622 . . . . 0.0 117.839 -173.826 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.3 p -141.38 24.1 2.12 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 118.039 2.607 . . . . 0.0 118.039 -168.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -134.86 133.51 39.78 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 117.1 2.259 . . . . 0.0 117.1 -169.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.811 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -108.19 106.1 16.13 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.53 -170.87 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.465 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 3.5 t80 -93.77 99.99 12.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 125.07 2.367 . . . . 0.0 106.788 -173.125 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.303 24.8 t -128.03 83.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 111.807 -2.452 . . . . 0.0 107.563 -160.017 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.93 -6.08 0.08 OUTLIER Pre-proline 0 CA--C 1.553 1.077 0 N-CA-C 118.742 2.867 . . . . 0.0 118.742 -172.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HG2' HD13 ' A' ' 95' ' ' LEU . 1.1 Cg_exo -50.43 -26.03 15.35 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.855 3.037 . . . . 0.0 118.709 176.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.44 162.88 52.2 Favored Pre-proline 0 C--O 1.237 0.409 0 C-N-CA 125.1 1.36 . . . . 0.0 114.472 -169.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -84.27 -177.3 2.93 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 121.947 1.765 . . . . 0.0 110.173 163.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mp -57.93 -12.5 3.28 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.325 1.45 . . . . 0.0 114.331 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.36 -24.81 67.56 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.24 1.816 . . . . 0.0 114.024 171.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.7 151.52 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 119.98 1.263 . . . . 0.0 109.998 169.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.69 179.27 1.73 Allowed 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 125.441 1.496 . . . . 0.0 108.913 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -51.27 -29.51 14.92 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 124.098 0.959 . . . . 0.0 112.96 -174.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.6 p -68.77 -34.25 75.25 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.258 1.39 . . . . 0.0 114.737 173.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -77.02 -43.13 35.81 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 122.686 1.231 . . . . 0.0 108.486 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.472 HD13 HD11 ' A' ' 63' ' ' ILE . 4.9 mt -63.5 -34.87 78.73 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.805 173.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -63.09 -46.34 87.85 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 119.822 -1.799 . . . . 0.0 112.319 171.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -57.16 -37.24 71.78 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.4 mt -90.29 -39.46 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 123.791 0.836 . . . . 0.0 112.627 -174.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.433 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 24.5 m-85 -105.49 -21.67 13.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.78 1.632 . . . . 0.0 114.034 -169.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.01 -34.76 24.22 Favored Glycine 0 CA--C 1.541 1.716 0 CA-C-O 117.704 -1.609 . . . . 0.0 114.648 169.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.06 -26.61 82.91 Favored 'Trans proline' 0 C--N 1.359 1.097 0 CA-C-N 121.204 2.502 . . . . 0.0 114.592 170.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.0 OUTLIER -82.01 -50.36 9.2 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.039 0.836 . . . . 0.0 109.565 -179.373 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.12 -72.2 0.49 Allowed Glycine 0 CA--C 1.537 1.434 0 N-CA-C 119.003 2.361 . . . . 0.0 119.003 166.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -68.63 -35.73 16.21 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.759 2.306 . . . . 0.0 117.038 -165.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.2 mtp 31.65 51.36 0.17 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 126.73 2.012 . . . . 0.0 114.594 -176.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.64 -29.32 37.73 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 126.267 1.827 . . . . 0.0 112.845 -169.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -155.72 157.07 35.99 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 124.024 0.93 . . . . 0.0 111.607 169.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.505 HG13 HG22 ' A' ' 70' ' ' VAL . 2.9 t -151.52 68.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 -168.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -68.01 115.85 7.98 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -176.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.536 ' C ' HD12 ' A' ' 64' ' ' LEU . 44.5 mt -123.26 125.29 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.281 1.033 . . . . 0.0 110.804 -170.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.536 HD12 ' C ' ' A' ' 63' ' ' ILE . 4.0 mp -135.45 94.62 3.13 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 127.407 2.283 . . . . 0.0 109.339 -168.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 48.16 -101.66 0.08 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 125.256 1.422 . . . . 0.0 112.451 -174.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.68 -4.16 87.67 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 126.023 1.773 . . . . 0.0 115.584 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -117.89 151.92 36.43 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 118.986 1.393 . . . . 0.0 112.402 -168.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.28 139.22 45.56 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 126.585 1.954 . . . . 0.0 109.12 174.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.433 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -130.8 79.9 1.92 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 175.578 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.505 HG22 HG13 ' A' ' 61' ' ' VAL . 2.0 t -71.45 156.22 7.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 113.445 -1.707 . . . . 0.0 107.41 178.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -151.13 148.11 27.88 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -169.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.811 ' CE2' HD21 ' A' ' 34' ' ' LEU . 28.0 m-85 -126.62 157.89 37.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.882 170.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -84.77 -4.81 59.23 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.78 -0.575 . . . . 0.0 112.341 173.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.39 163.97 31.5 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.197 1.399 . . . . 0.0 112.611 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.5 -8.23 53.3 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -171.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -79.76 -40.06 29.61 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.364 1.438 . . . . 0.0 111.814 -178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.1 t -61.86 -36.53 81.51 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.425 0.557 . . . . 0.0 110.95 168.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.7 -49.58 67.98 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.598 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.79 -50.61 63.25 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.641 1.176 . . . . 0.0 112.155 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -68.18 -41.33 81.62 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 117.668 -1.158 . . . . 0.0 112.55 175.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.08 78.09 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.587 1.085 . . . . 0.0 109.833 177.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.431 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 13.9 mt -53.0 -60.2 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.618 1.167 . . . . 0.0 110.247 173.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -63.34 -25.07 68.13 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -79.33 -39.33 33.01 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.058 1.743 . . . . 0.0 112.824 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.682 HG13 HG21 ' A' ' 97' ' ' VAL . 10.7 p -150.65 -2.28 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 116.613 2.079 . . . . 0.0 116.613 -167.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.431 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 15.2 t60 -66.09 121.73 15.81 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 119.169 -2.207 . . . . 0.0 112.434 168.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.95 -3.98 83.03 Favored Glycine 0 N--CA 1.47 0.906 0 C-N-CA 124.061 0.839 . . . . 0.0 112.461 169.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -75.73 143.37 42.1 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 126.869 2.068 . . . . 0.0 106.982 168.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.411 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 42.5 t -91.38 120.89 32.63 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.239 0.543 . . . . 0.0 112.178 -177.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.595 ' HB2' HD21 ' A' ' 95' ' ' LEU . 4.4 t80 -112.73 142.47 45.31 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.237 170.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 58.21 -53.43 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 129.389 3.075 . . . . 0.0 115.247 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -157.29 -9.96 0.09 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.621 1.968 . . . . 0.0 114.346 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -159.46 161.73 26.71 Favored Pre-proline 0 CA--C 1.55 0.954 0 CA-C-N 120.148 1.34 . . . . 0.0 111.555 -169.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 89' ' ' SER . 58.7 Cg_endo -78.75 146.05 20.71 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 N-CA-C 117.002 1.885 . . . . 0.0 117.002 -172.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.617 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.6 mm? -66.26 152.35 45.1 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.939 2.096 . . . . 0.0 112.556 172.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -122.57 50.56 1.48 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 124.904 2.288 . . . . 0.0 109.565 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.682 HG21 HG13 ' A' ' 85' ' ' VAL . 59.2 t -67.49 99.47 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 127.974 2.51 . . . . 0.0 107.053 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.855 HG13 ' H ' ' A' ' 99' ' ' TYR 0.286 1.2 p -156.52 -115.76 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 120.692 1.587 . . . . 0.0 113.488 -163.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.855 ' H ' HG13 ' A' ' 98' ' ' VAL . 5.7 m-85 -117.0 13.96 14.94 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 128.556 2.742 . . . . 0.0 110.189 171.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.465 ' CB ' ' HB2' ' A' ' 35' ' ' PHE 0.312 18.1 t . . . . . 0 CA--C 1.535 0.403 0 C-N-CA 130.105 3.362 . . . . 0.0 116.686 -170.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.467 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.6 OUTLIER 65.21 -12.77 0.13 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 128.498 2.719 . . . . 0.0 117.178 179.759 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 p -141.65 25.4 2.0 Allowed 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 117.779 2.511 . . . . 0.0 117.779 -164.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 77.6 mtt180 -126.71 126.16 43.03 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -168.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.688 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -106.61 103.18 12.57 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.56 -1.2 . . . . 0.0 109.356 -170.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.421 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 6.9 t80 -93.35 101.02 13.25 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 124.633 2.159 . . . . 0.0 107.465 -172.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.475 HG12 ' HE1' ' A' ' 39' ' ' PHE 0.254 49.2 t -130.51 91.69 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 112.01 -2.359 . . . . 0.0 109.156 -158.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -126.26 16.13 0.07 OUTLIER Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -169.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -69.85 -30.52 21.74 Favored 'Trans proline' 0 C--N 1.354 0.823 0 CA-C-N 122.574 1.955 . . . . 0.0 114.032 -176.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.475 ' HE1' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -83.57 162.38 53.46 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 125.677 1.591 . . . . 0.0 113.654 -168.327 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -77.78 -169.79 0.82 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 122.652 2.235 . . . . 0.0 111.01 165.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.748 ' H ' HD22 ' A' ' 41' ' ' LEU . 1.1 mm? -50.31 -23.35 2.25 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.288 1.835 . . . . 0.0 114.037 177.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.54 -16.09 63.76 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.873 1.669 . . . . 0.0 115.097 -175.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.7 p -68.96 139.47 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-N 120.889 1.677 . . . . 0.0 109.163 168.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -149.97 172.01 15.9 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.726 1.21 . . . . 0.0 108.722 -177.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.42 -31.76 55.94 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 118.705 -0.664 . . . . 0.0 112.065 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -60.32 -36.75 78.64 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 172.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -80.65 -41.27 24.1 Favored 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 125.443 1.497 . . . . 0.0 108.737 -176.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' CD1' HD11 ' A' ' 63' ' ' ILE . 7.6 mt -63.57 -35.85 81.85 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.174 170.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.78 -42.31 97.77 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 119.925 -1.735 . . . . 0.0 111.816 172.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -62.31 -39.74 94.0 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 174.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.1 mt -84.88 -36.4 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 123.658 0.783 . . . . 0.0 111.98 -173.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.427 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 19.9 m-85 -106.4 -21.71 13.01 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.52 1.528 . . . . 0.0 113.398 -170.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.73 -33.61 35.04 Favored Glycine 0 CA--C 1.544 1.857 0 CA-C-O 117.588 -1.673 . . . . 0.0 114.927 168.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.24 -26.62 83.04 Favored 'Trans proline' 0 C--N 1.358 1.038 0 CA-C-N 121.482 2.641 . . . . 0.0 114.203 170.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.8 m-30 -78.92 -44.73 22.03 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.609 0.763 . . . . 0.0 109.987 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.65 -80.21 0.34 Allowed Glycine 0 CA--C 1.528 0.882 0 CA-C-N 114.723 -1.126 . . . . 0.0 113.122 167.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -58.61 137.17 78.68 Favored 'Trans proline' 0 CA--C 1.548 1.209 0 C-N-CA 122.821 2.347 . . . . 0.0 111.849 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.4 mtp -153.24 53.82 0.75 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 127.955 2.502 . . . . 0.0 109.803 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -29.49 11.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 113.336 -1.757 . . . . 0.0 114.248 -174.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.49 158.32 37.02 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-O 122.18 0.99 . . . . 0.0 111.693 176.245 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.419 HG13 HG22 ' A' ' 70' ' ' VAL . 2.2 t -153.77 70.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 112.933 -1.94 . . . . 0.0 107.325 -167.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.86 117.73 11.81 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.49 HD11 ' CD1' ' A' ' 48' ' ' LEU . 77.9 mt -124.74 120.5 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.843 0.857 . . . . 0.0 109.756 -173.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.497 HD13 ' CE1' ' A' ' 69' ' ' PHE . 4.8 mp -127.99 96.74 4.57 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 126.933 2.093 . . . . 0.0 109.353 -167.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 52.21 -90.79 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.217 1.407 . . . . 0.0 112.362 -173.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.95 4.03 35.91 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 126.652 2.072 . . . . 0.0 115.918 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -115.96 150.99 36.28 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.135 1.468 . . . . 0.0 111.211 -172.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.21 139.51 49.72 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 126.043 1.737 . . . . 0.0 109.958 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.497 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -134.81 79.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 176.817 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.579 ' HB ' HD23 ' A' ' 34' ' ' LEU . 1.5 t -69.61 156.27 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 113.258 -1.792 . . . . 0.0 107.415 176.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -154.8 141.99 19.42 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.896 -1.149 . . . . 0.0 107.896 -168.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.688 ' CE2' HD21 ' A' ' 34' ' ' LEU . 15.3 m-85 -127.66 154.73 44.93 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 122.625 1.202 . . . . 0.0 114.033 -173.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -78.67 -11.14 59.96 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.444 1.898 . . . . 0.0 114.187 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.99 173.81 13.42 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.857 2.063 . . . . 0.0 111.172 175.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.66 8.65 44.28 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -171.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -93.37 -42.01 9.52 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.67 1.188 . . . . 0.0 112.702 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.5 t -60.86 -36.13 78.38 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 167.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.12 -51.38 54.76 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.805 174.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.06 -48.21 67.84 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.446 1.021 . . . . 0.0 112.233 176.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -37.99 69.91 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 117.487 -1.244 . . . . 0.0 113.174 175.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.85 -45.47 78.44 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 119.866 1.212 . . . . 0.0 109.677 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.444 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 17.0 mt -53.87 -59.4 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.442 1.097 . . . . 0.0 110.54 172.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -63.55 -22.04 66.68 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -85.52 -37.15 19.98 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.415 1.886 . . . . 0.0 112.887 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.652 HG13 HG21 ' A' ' 97' ' ' VAL . 10.0 p -151.84 -4.8 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 N-CA-C 116.38 1.992 . . . . 0.0 116.38 -167.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 15.9 t60 -65.03 119.41 10.71 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 118.844 -2.41 . . . . 0.0 112.604 168.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.88 0.02 78.77 Favored Glycine 0 N--CA 1.473 1.161 0 C-N-CA 123.673 0.654 . . . . 0.0 112.092 169.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -82.0 137.68 35.05 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 127.152 2.181 . . . . 0.0 107.98 171.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.9 p -82.66 92.91 7.25 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 124.356 1.063 . . . . 0.0 112.096 -172.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.54 ' HB2' HD21 ' A' ' 95' ' ' LEU . 8.0 t80 -86.75 138.37 31.67 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.544 -0.722 . . . . 0.0 111.256 173.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 56.17 -55.62 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 129.241 3.016 . . . . 0.0 116.323 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -153.57 -12.3 0.15 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.989 2.115 . . . . 0.0 113.747 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -157.5 160.97 30.01 Favored Pre-proline 0 N--CA 1.478 0.943 0 CA-C-N 119.82 1.191 . . . . 0.0 112.008 -171.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -77.69 152.96 29.65 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 N-CA-C 115.359 1.254 . . . . 0.0 115.359 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.614 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.3 mm? -75.92 158.57 31.87 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.577 1.951 . . . . 0.0 113.345 173.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -123.11 50.79 1.51 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 124.447 2.07 . . . . 0.0 109.947 169.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.652 HG21 HG13 ' A' ' 85' ' ' VAL . 55.5 t -63.58 99.52 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 126.532 1.933 . . . . 0.0 106.58 175.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.717 HG13 ' H ' ' A' ' 99' ' ' TYR 0.258 0.8 OUTLIER -157.43 -127.32 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 121.008 1.731 . . . . 0.0 112.659 -164.533 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.717 ' H ' HG13 ' A' ' 98' ' ' VAL . 10.7 m-30 -104.69 13.82 30.81 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.711 2.404 . . . . 0.0 110.067 166.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.433 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.311 28.6 t . . . . . 0 N--CA 1.469 0.479 0 C-N-CA 129.721 3.208 . . . . 0.0 114.347 -168.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 CA--C 1.546 0.811 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.28 7.0 p30 48.22 0.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 130.824 3.65 . . . . 0.0 120.315 169.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.43 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 20.5 p -145.38 18.3 1.53 Allowed 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.234 1.379 . . . . 0.0 114.201 -170.071 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.574 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 46.3 mtt180 -125.99 134.17 51.56 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 -163.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.655 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -111.4 104.06 12.48 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 113.273 -1.785 . . . . 0.0 110.848 -167.44 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -97.47 99.62 11.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 124.343 2.021 . . . . 0.0 108.687 -169.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 m -136.3 129.69 46.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.076 -1.42 . . . . 0.0 108.822 -168.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.551 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -145.63 8.25 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.941 0 N-CA-C 119.938 3.31 . . . . 0.0 119.938 -167.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.551 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 72.3 Cg_exo -47.76 -49.29 13.88 Favored 'Trans proline' 0 C--N 1.355 0.917 0 CA-C-N 123.99 2.461 . . . . 0.0 115.636 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.13 141.71 98.37 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 128.959 2.904 . . . . 0.0 115.348 -168.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -60.38 -162.47 0.03 OUTLIER 'Trans proline' 0 CA--C 1.554 1.486 0 C-N-CA 124.745 3.63 . . . . 0.0 113.273 164.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.456 ' H ' HD22 ' A' ' 41' ' ' LEU . 1.9 mm? -66.61 31.82 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.836 2.054 . . . . 0.0 113.635 172.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -126.37 -19.33 4.68 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 116.48 2.03 . . . . 0.0 116.48 -169.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.2 p -63.21 151.88 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-N 119.666 1.121 . . . . 0.0 109.649 168.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -142.78 165.69 26.7 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 123.71 0.804 . . . . 0.0 110.372 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.21 -24.29 6.99 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 169.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.7 m -72.7 -34.88 67.44 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.718 1.607 . . . . 0.0 113.477 172.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -73.93 -42.78 60.09 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 120.861 -1.149 . . . . 0.0 108.067 177.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.587 ' CD1' HD11 ' A' ' 63' ' ' ILE . 6.1 mt -67.54 -31.15 71.05 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.605 173.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.47 -41.4 97.18 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 119.013 -2.305 . . . . 0.0 112.069 169.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -65.43 -34.84 79.23 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 172.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.4 mt -86.06 -39.89 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.709 0.804 . . . . 0.0 112.676 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.456 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 48.4 m-85 -108.36 -22.15 12.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.403 1.881 . . . . 0.0 113.39 -169.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.58 -33.36 47.87 Favored Glycine 0 CA--C 1.542 1.742 0 CA-C-O 117.583 -1.676 . . . . 0.0 115.057 168.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -58.86 -28.07 86.11 Favored 'Trans proline' 0 C--N 1.359 1.118 0 CA-C-N 121.305 2.553 . . . . 0.0 114.336 170.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.456 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.0 m-30 -80.85 -43.72 19.53 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.798 0.839 . . . . 0.0 110.749 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.69 -69.83 0.41 Allowed Glycine 0 CA--C 1.533 1.202 0 N-CA-C 116.475 1.35 . . . . 0.0 116.475 168.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -85.55 36.05 0.52 Allowed 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.431 2.754 . . . . 0.0 115.545 -166.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.7 ptp -48.07 103.83 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 CA-C-N 120.092 1.315 . . . . 0.0 110.253 167.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.95 -27.92 8.99 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 127.659 2.384 . . . . 0.0 112.271 -166.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -141.85 153.59 44.57 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 123.652 0.781 . . . . 0.0 110.115 168.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 t -151.56 65.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 -168.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -70.47 118.03 12.76 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.587 HD11 ' CD1' ' A' ' 48' ' ' LEU . 76.0 mt -126.54 125.81 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-O 122.04 0.924 . . . . 0.0 110.437 -174.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.544 HD12 ' C ' ' A' ' 63' ' ' ILE . 3.3 mp -130.88 -173.68 3.16 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 128.488 2.715 . . . . 0.0 109.207 -172.165 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -48.8 41.5 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.371 1 C-N-CA 133.301 4.64 . . . . 0.0 118.518 -173.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.87 22.11 9.68 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 126.281 1.896 . . . . 0.0 112.21 -167.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -133.17 148.16 52.06 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.508 1.154 . . . . 0.0 111.194 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.13 131.17 36.53 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 126.055 1.742 . . . . 0.0 108.502 173.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.503 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -121.92 79.8 1.62 Allowed 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 104.45 -2.426 . . . . 0.0 104.45 174.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.533 ' HB ' HD23 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -68.74 163.33 3.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 113.256 -1.793 . . . . 0.0 107.428 172.387 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -156.48 155.2 31.6 Favored 'General case' 0 C--N 1.313 -1.0 0 O-C-N 121.295 -0.878 . . . . 0.0 108.96 -173.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.655 ' CE2' HD21 ' A' ' 34' ' ' LEU . 14.1 m-85 -128.66 165.34 21.03 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 124.539 1.135 . . . . 0.0 111.134 173.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -97.64 17.26 18.22 Favored 'General case' 0 CA--C 1.557 1.212 0 CA-C-O 121.935 0.874 . . . . 0.0 109.916 167.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -139.05 103.01 4.67 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 128.298 2.639 . . . . 0.0 109.927 -169.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.49 -30.57 63.11 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.025 0.93 . . . . 0.0 112.799 173.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -69.0 -23.08 64.05 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.094 -1.004 . . . . 0.0 112.944 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.535 ' HB3' ' CD2' ' A' ' 72' ' ' PHE . 7.2 t -76.22 -34.1 59.25 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 119.174 0.897 . . . . 0.0 111.921 169.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -61.45 -48.48 80.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.148 169.385 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.85 -51.37 30.04 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.758 1.163 . . . . 0.0 112.745 171.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -68.96 -42.92 76.0 Favored 'General case' 0 C--N 1.346 0.417 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.7 88.82 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.269 1.028 . . . . 0.0 109.555 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.407 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 18.3 mt -56.98 -58.77 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 124.316 1.046 . . . . 0.0 109.943 174.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -63.4 -27.18 69.13 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -177.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.99 -44.61 47.18 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.855 1.262 . . . . 0.0 112.482 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.494 HG13 HG21 ' A' ' 97' ' ' VAL . 9.4 p -152.83 10.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 -165.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 9.1 t60 -74.28 121.45 21.31 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 119.377 -2.077 . . . . 0.0 111.242 168.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.61 -3.45 86.25 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 125.023 1.297 . . . . 0.0 111.999 176.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.29 136.23 35.76 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 127.699 2.4 . . . . 0.0 108.302 171.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.7 p -77.95 116.52 18.51 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 125.408 1.483 . . . . 0.0 111.963 -173.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -114.25 142.93 45.65 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.973 -0.455 . . . . 0.0 111.464 169.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.25 -59.15 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 128.268 2.627 . . . . 0.0 116.921 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -155.08 -1.15 0.16 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.232 2.213 . . . . 0.0 113.504 -172.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.92 165.2 1.86 Allowed Pre-proline 0 N--CA 1.487 1.417 0 CA-C-N 120.001 1.273 . . . . 0.0 112.786 -178.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -76.68 165.95 27.97 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 122.081 1.854 . . . . 0.0 116.454 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.407 ' CD1' ' HG2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -104.85 145.76 29.94 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.228 3.011 . . . . 0.0 112.935 -171.115 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.15 52.6 0.86 Allowed 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 124.998 2.333 . . . . 0.0 110.686 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.494 HG21 HG13 ' A' ' 85' ' ' VAL . 59.0 t -60.06 107.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 113.482 -1.69 . . . . 0.0 107.981 172.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.498 HG13 ' N ' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -158.81 -140.44 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 117.609 -1.636 . . . . 0.0 115.401 -165.259 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.498 ' N ' HG13 ' A' ' 98' ' ' VAL . 7.0 m-85 -106.53 67.57 0.73 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 104.303 -2.481 . . . . 0.0 104.303 165.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.574 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 17.2 t . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 117.325 2.342 . . . . 0.0 117.325 -168.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.6 m . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 119.138 -0.458 . . . . 0.0 111.815 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.448 ' HA ' ' CD1' ' A' ' 99' ' ' TYR 0.301 0.2 OUTLIER 53.02 -13.57 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 119.368 3.099 . . . . 0.0 119.368 175.383 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.451 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 58.1 p -144.13 31.91 1.24 Allowed 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 116.774 2.138 . . . . 0.0 116.774 -167.01 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.56 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 7.0 mtt180 -136.15 129.77 32.25 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 120.958 1.708 . . . . 0.0 114.827 -167.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.842 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -111.5 120.41 42.03 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.886 -1.134 . . . . 0.0 112.585 -169.137 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.419 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 81.8 t80 -108.3 102.28 11.42 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 125.04 2.353 . . . . 0.0 105.483 -169.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.308 12.6 t -128.16 103.32 9.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 111.788 -2.46 . . . . 0.0 106.66 -160.033 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.513 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 29.8 ptt85 -138.28 1.25 0.03 OUTLIER Pre-proline 0 CA--C 1.555 1.157 0 N-CA-C 120.054 3.353 . . . . 0.0 120.054 -164.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 99.0 Cg_exo -54.46 -38.47 89.78 Favored 'Trans proline' 0 C--N 1.356 0.936 0 CA-C-N 123.899 2.428 . . . . 0.0 116.431 176.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.87 162.09 76.15 Favored Pre-proline 0 CA--C 1.535 0.366 0 C-N-CA 126.925 2.09 . . . . 0.0 113.752 -168.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -79.6 -175.39 2.7 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 122.21 1.94 . . . . 0.0 111.535 166.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.6 mp -50.91 -21.93 1.98 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.531 1.933 . . . . 0.0 113.958 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -63.56 -19.68 65.0 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.404 1.882 . . . . 0.0 114.529 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.08 140.0 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 120.821 1.646 . . . . 0.0 111.422 173.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -150.32 171.99 16.1 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 126.247 1.819 . . . . 0.0 109.587 -170.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.41 -29.3 34.2 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-O 118.306 -0.854 . . . . 0.0 112.205 173.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.3 p -66.89 -35.0 79.02 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 120.604 1.547 . . . . 0.0 114.318 173.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.34 -45.4 39.67 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 124.536 2.112 . . . . 0.0 107.996 -176.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.78 -37.25 86.97 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 112.569 -2.105 . . . . 0.0 109.696 171.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -61.68 -40.35 94.67 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.255 -1.528 . . . . 0.0 111.861 173.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -61.24 -40.73 95.14 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 172.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 91.6 mt -82.44 -41.04 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -176.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.499 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 37.3 m-85 -102.02 -23.82 14.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.158 2.183 . . . . 0.0 114.008 -169.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -48.74 -33.41 12.66 Favored Glycine 0 CA--C 1.543 1.829 0 CA-C-O 117.583 -1.676 . . . . 0.0 115.144 171.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -63.06 -22.73 73.62 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 CA-C-N 121.544 2.672 . . . . 0.0 114.89 172.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -80.25 -53.31 6.77 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.077 0.853 . . . . 0.0 111.93 -172.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.25 -118.0 0.8 Allowed Glycine 0 CA--C 1.536 1.38 0 CA-C-O 119.001 -0.888 . . . . 0.0 115.159 -168.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -77.77 -34.92 1.63 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.067 2.511 . . . . 0.0 117.186 -166.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.8 ptm 33.63 60.67 0.49 Allowed 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 123.717 1.723 . . . . 0.0 112.795 -170.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -30.95 70.1 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 127.989 2.516 . . . . 0.0 114.935 -167.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -141.2 152.23 44.45 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.456 0.646 . . . . 0.0 110.692 168.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.6 t -151.2 76.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 124.413 1.085 . . . . 0.0 108.421 -166.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -83.23 123.01 29.16 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.158 -173.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.64 ' C ' HD12 ' A' ' 64' ' ' LEU . 8.5 mm -116.17 126.46 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.674 1.59 . . . . 0.0 111.627 -169.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.64 HD12 ' C ' ' A' ' 63' ' ' ILE . 2.2 mp -135.63 -177.37 4.64 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 127.384 2.274 . . . . 0.0 110.142 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -53.75 40.59 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.476 1 C-N-CA 132.317 4.247 . . . . 0.0 118.634 -170.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.99 6.24 12.71 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 126.45 1.976 . . . . 0.0 112.026 -168.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -130.14 147.18 51.85 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 118.141 0.971 . . . . 0.0 111.424 -170.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.56 135.29 40.21 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 126.671 1.988 . . . . 0.0 108.438 177.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.62 ' CE1' HD13 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -127.69 83.12 2.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 177.683 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.499 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 1.8 t -76.3 160.6 4.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 113.217 -1.81 . . . . 0.0 107.763 178.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -156.73 149.55 23.75 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 121.506 -0.746 . . . . 0.0 109.619 -168.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.842 ' CE2' HD21 ' A' ' 34' ' ' LEU . 38.9 m-85 -128.66 152.9 47.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.629 1.204 . . . . 0.0 112.263 174.154 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -75.12 -13.69 60.5 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 114.422 -1.263 . . . . 0.0 112.507 169.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -136.13 146.14 46.62 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.32 1.848 . . . . 0.0 113.511 -169.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.29 -24.46 54.41 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -175.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -70.35 -38.27 74.77 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.43 1.014 . . . . 0.0 111.554 -177.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.445 ' HA ' ' HE3' ' A' ' 80' ' ' LYS . 4.9 t -65.32 -34.55 78.61 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 121.472 -0.768 . . . . 0.0 112.576 170.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.451 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -68.76 -50.5 50.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 118.988 0.813 . . . . 0.0 111.838 175.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.1 -47.83 68.28 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.594 1.157 . . . . 0.0 112.1 173.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 77' ' ' SER . 3.2 ptpt -68.83 -40.65 79.33 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 118.202 -0.904 . . . . 0.0 112.519 177.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.66 -46.16 81.23 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 119.162 0.892 . . . . 0.0 110.133 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 9.6 mt -53.9 -57.62 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 121.268 -0.895 . . . . 0.0 110.35 173.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -65.14 -23.94 67.27 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -82.85 -35.49 26.25 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.954 1.702 . . . . 0.0 112.957 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.669 HG13 HG21 ' A' ' 97' ' ' VAL . 12.1 p -150.96 -8.78 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 -166.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -62.76 114.93 3.9 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 119.203 -2.185 . . . . 0.0 112.106 169.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.05 0.01 62.08 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.236 0.922 . . . . 0.0 112.507 170.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -84.22 137.57 33.42 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 127.164 2.186 . . . . 0.0 108.211 175.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.4 p -83.41 97.14 8.8 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.702 1.201 . . . . 0.0 111.96 -171.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.567 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.9 t80 -91.12 142.94 27.2 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.16 -0.963 . . . . 0.0 112.027 170.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.36 -63.54 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 128.389 2.676 . . . . 0.0 115.774 -175.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -151.79 -1.25 0.32 Allowed 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.152 1.781 . . . . 0.0 114.426 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -159.56 162.67 24.89 Favored Pre-proline 0 N--CA 1.477 0.886 0 CA-C-N 119.843 1.201 . . . . 0.0 111.908 -174.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -81.16 152.8 18.59 Favored 'Trans proline' 0 C--N 1.349 0.569 0 N-CA-C 116.013 1.505 . . . . 0.0 116.013 -174.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.568 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.9 mm? -72.32 158.68 35.36 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.368 1.867 . . . . 0.0 112.475 169.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -135.37 52.88 2.0 Allowed 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 125.606 2.622 . . . . 0.0 108.641 -176.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.669 HG21 HG13 ' A' ' 85' ' ' VAL . 51.7 t -73.42 106.92 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 129.626 3.17 . . . . 0.0 108.008 -175.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.77 HG13 ' H ' ' A' ' 99' ' ' TYR 0.279 2.1 p -157.91 -121.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 121.5 1.955 . . . . 0.0 115.807 -162.2 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.77 ' H ' HG13 ' A' ' 98' ' ' VAL . 10.5 m-30 -116.12 45.3 1.78 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 128.498 2.719 . . . . 0.0 108.649 172.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.56 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 17.4 m . . . . . 0 N--CA 1.47 0.534 0 N-CA-C 117.843 2.535 . . . . 0.0 117.843 -167.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 120.358 0.123 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.481 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.7 OUTLIER 61.65 6.26 1.5 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.393 2.277 . . . . 0.0 114.989 -171.015 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.6 p -148.21 22.6 1.07 Allowed 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 -165.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.61 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 4.8 mpt_? -136.64 124.23 22.29 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 123.273 2.76 . . . . 0.0 116.261 -170.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.696 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -104.15 107.36 18.22 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 120.139 -1.601 . . . . 0.0 112.514 -167.84 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -102.6 97.3 7.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 124.377 2.036 . . . . 0.0 111.239 -169.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -128.14 127.28 67.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 122.855 1.312 . . . . 0.0 108.636 -169.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 ptt-85 -147.08 20.79 0.04 OUTLIER Pre-proline 0 CA--C 1.55 0.98 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 -165.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 56.4 Cg_endo -75.5 -21.64 14.74 Favored 'Trans proline' 0 C--N 1.352 0.754 0 CA-C-N 122.478 1.921 . . . . 0.0 114.304 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.457 ' CD1' HG11 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -88.57 159.02 47.6 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 125.747 1.619 . . . . 0.0 113.611 -168.098 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.38 -178.33 3.59 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 123.147 2.565 . . . . 0.0 110.489 167.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mp -55.44 -17.46 5.15 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.11 1.364 . . . . 0.0 114.101 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.17 -21.49 65.12 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.474 1.909 . . . . 0.0 114.973 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.457 HG11 ' CD1' ' A' ' 39' ' ' PHE . 12.8 p -64.7 145.09 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 120.372 1.442 . . . . 0.0 111.326 173.481 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -164.46 176.02 9.4 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 124.751 1.22 . . . . 0.0 110.3 -175.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.09 -30.19 64.12 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 117.666 -1.159 . . . . 0.0 113.249 -169.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 p -64.13 -33.29 75.45 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 121.446 1.93 . . . . 0.0 114.422 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -81.52 -42.44 20.2 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 125.888 1.675 . . . . 0.0 108.222 -176.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.66 -36.43 83.8 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.479 -1.237 . . . . 0.0 109.994 169.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -62.53 -41.59 98.97 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 119.978 -1.701 . . . . 0.0 112.134 173.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -59.73 -40.5 88.24 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 172.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.3 mt -83.8 -42.09 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -175.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.411 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 35.8 m-85 -103.54 -25.8 13.07 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.288 1.835 . . . . 0.0 113.735 -169.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -48.92 -34.7 16.24 Favored Glycine 0 CA--C 1.544 1.898 0 CA-C-O 117.589 -1.673 . . . . 0.0 114.846 171.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.01 -26.14 81.58 Favored 'Trans proline' 0 C--N 1.359 1.114 0 CA-C-N 121.42 2.61 . . . . 0.0 114.966 171.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.411 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 3.4 m-30 -74.29 -40.42 62.29 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.155 0.888 . . . . 0.0 111.035 -178.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.34 -76.72 0.37 Allowed Glycine 0 CA--C 1.529 0.958 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.515 169.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -78.77 159.22 28.02 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.416 2.744 . . . . 0.0 111.706 175.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 48.4 mtp -150.87 55.8 0.9 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.39 2.276 . . . . 0.0 108.003 168.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.476 ' HB3' ' HA ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -48.59 -31.65 6.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 113.121 -1.854 . . . . 0.0 112.457 -174.521 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -158.27 159.47 36.02 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.79 0.805 . . . . 0.0 112.413 171.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.459 HG13 HG22 ' A' ' 70' ' ' VAL . 1.7 t -151.59 80.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 -168.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 119.6 17.81 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 175.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.569 ' C ' HD12 ' A' ' 64' ' ' LEU . 58.4 mt -129.22 126.75 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.829 1.195 . . . . 0.0 111.938 -173.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.569 HD12 ' C ' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -135.53 -168.17 2.15 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 127.84 2.456 . . . . 0.0 110.034 -172.435 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -45.82 29.76 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.65 1 C-N-CA 134.828 5.251 . . . . 0.0 120.223 -172.086 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.24 13.5 8.27 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 127.169 2.319 . . . . 0.0 110.89 -166.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -129.88 146.21 51.6 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.226 0.611 . . . . 0.0 111.627 -168.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.93 129.98 26.61 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 125.077 1.351 . . . . 0.0 109.38 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.478 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -125.48 78.64 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 179.043 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.541 ' HB ' HD23 ' A' ' 34' ' ' LEU . 1.7 t -70.79 161.2 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 113.428 -1.714 . . . . 0.0 107.849 178.189 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -152.01 148.31 27.56 Favored 'General case' 0 C--O 1.244 0.803 0 O-C-N 121.263 -0.898 . . . . 0.0 109.418 -170.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.696 ' CE2' HD21 ' A' ' 34' ' ' LEU . 21.6 m-85 -127.55 166.57 17.75 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.134 1.374 . . . . 0.0 113.013 -177.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -113.04 17.03 19.13 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.795 1.638 . . . . 0.0 110.243 167.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -139.91 99.26 3.65 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 128.094 2.558 . . . . 0.0 108.165 -171.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.22 -27.5 67.23 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.585 -0.697 . . . . 0.0 112.829 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -65.85 -26.75 67.79 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.492 -0.755 . . . . 0.0 112.527 171.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.556 ' HA ' ' HE3' ' A' ' 80' ' ' LYS . 8.5 t -74.1 -36.09 64.23 Favored 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 121.108 -0.995 . . . . 0.0 112.083 170.556 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.44 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 119.569 1.077 . . . . 0.0 110.454 172.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.84 -51.0 55.48 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.254 1.022 . . . . 0.0 112.835 172.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.556 ' HE3' ' HA ' ' A' ' 77' ' ' SER . 1.8 ptpt -70.14 -40.36 74.84 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.62 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.61 -42.79 83.97 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 118.943 0.792 . . . . 0.0 109.619 176.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.448 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 14.1 mt -56.57 -59.62 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.962 0.905 . . . . 0.0 110.263 173.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -62.69 -28.09 69.7 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -177.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.52 -42.81 58.26 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.515 1.526 . . . . 0.0 112.592 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.8 p -155.58 6.1 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -165.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.448 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 8.2 t60 -68.9 120.29 14.56 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 119.324 -2.11 . . . . 0.0 111.814 168.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.05 -5.63 81.7 Favored Glycine 0 N--CA 1.473 1.144 0 C-N-CA 124.932 1.254 . . . . 0.0 112.429 170.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -73.74 136.77 43.7 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 127.668 2.387 . . . . 0.0 108.26 168.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.0 p -77.47 100.54 6.06 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.954 1.302 . . . . 0.0 111.115 -178.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -94.82 146.68 24.03 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.625 -0.672 . . . . 0.0 110.534 171.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.99 -61.32 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 127.14 2.176 . . . . 0.0 114.996 -176.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -155.31 -2.81 0.15 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.322 1.849 . . . . 0.0 114.585 170.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -159.89 163.05 23.54 Favored Pre-proline 0 CA--C 1.55 0.961 0 CA-C-N 120.541 1.519 . . . . 0.0 111.827 -172.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -81.39 167.02 17.69 Favored 'Trans proline' 0 C--N 1.348 0.505 0 N-CA-C 118.043 2.286 . . . . 0.0 118.043 -169.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.428 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 1.3 mp -102.85 144.81 30.69 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 130.067 3.347 . . . . 0.0 112.267 -173.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -119.32 50.68 1.21 Allowed 'General case' 0 N--CA 1.481 1.113 0 CA-C-O 124.795 2.236 . . . . 0.0 110.26 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.04 105.02 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 C-N-CA 126.612 1.965 . . . . 0.0 108.301 174.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.761 HG13 ' H ' ' A' ' 99' ' ' TYR 0.301 0.8 OUTLIER -153.27 -127.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.532 0 C-N-CA 117.572 -1.651 . . . . 0.0 114.664 -165.712 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.761 ' H ' HG13 ' A' ' 98' ' ' VAL . 12.8 m-85 -115.21 18.01 16.38 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 127.611 2.364 . . . . 0.0 110.526 173.004 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.61 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 22.7 t . . . . . 0 N--CA 1.487 1.378 0 C-N-CA 130.735 3.614 . . . . 0.0 118.329 -171.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.572 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 26.6 m-20 49.84 11.69 0.06 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 129.828 3.251 . . . . 0.0 117.78 177.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.405 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 82.3 p -150.27 25.55 0.8 Allowed 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -166.19 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.526 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 17.6 mtt180 -138.73 127.92 24.14 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 -166.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.628 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -100.69 104.43 15.72 Favored 'General case' 0 N--CA 1.443 -0.805 0 O-C-N 120.941 -1.099 . . . . 0.0 110.172 -170.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -98.28 103.1 15.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 123.941 1.829 . . . . 0.0 110.059 -172.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -138.14 127.64 33.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 122.774 1.273 . . . . 0.0 109.139 -167.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.97 22.28 0.04 OUTLIER Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 -167.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -70.02 -36.8 9.47 Favored 'Trans proline' 0 C--N 1.353 0.78 0 CA-C-N 121.997 1.749 . . . . 0.0 113.392 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -73.36 155.92 89.39 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 126.751 2.02 . . . . 0.0 114.258 -168.136 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -75.12 -173.64 1.66 Allowed 'Trans proline' 0 CA--C 1.549 1.227 0 C-N-CA 123.429 2.752 . . . . 0.0 110.544 166.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 mp -53.82 -18.02 2.9 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.724 1.61 . . . . 0.0 114.237 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.55 -23.05 66.79 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.802 2.041 . . . . 0.0 115.147 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.5 p -65.89 138.73 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 CA-C-N 120.519 1.509 . . . . 0.0 112.036 174.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -142.06 174.29 10.74 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.845 1.258 . . . . 0.0 109.731 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -59.7 -20.67 57.85 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 120.952 -1.093 . . . . 0.0 113.765 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -67.98 -35.25 78.03 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.086 1.354 . . . . 0.0 113.955 169.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -82.22 -39.4 23.14 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.331 1.453 . . . . 0.0 107.835 -177.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.445 ' CD1' HD11 ' A' ' 63' ' ' ILE . 8.1 mt -66.91 -29.96 69.98 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.368 169.41 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -61.68 -43.82 98.13 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 120.261 -1.524 . . . . 0.0 111.715 168.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -60.08 -34.39 73.39 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 170.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.0 mt -85.12 -40.77 15.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 123.635 0.774 . . . . 0.0 112.524 -174.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.548 ' CE2' HG21 ' A' ' 70' ' ' VAL . 69.7 m-85 -109.3 -22.65 11.96 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.658 1.583 . . . . 0.0 114.598 -169.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.04 -32.58 35.29 Favored Glycine 0 CA--C 1.541 1.66 0 CA-C-O 117.346 -1.808 . . . . 0.0 115.455 169.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -60.53 -24.39 78.02 Favored 'Trans proline' 0 C--N 1.361 1.2 0 CA-C-N 121.552 2.676 . . . . 0.0 114.574 173.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 3.4 m-85 -91.9 -45.04 8.57 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.643 1.177 . . . . 0.0 110.834 -177.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 129.43 -74.59 0.44 Allowed Glycine 0 CA--C 1.532 1.103 0 N-CA-C 117.337 1.695 . . . . 0.0 117.337 166.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -82.43 39.09 0.8 Allowed 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 123.771 2.98 . . . . 0.0 116.209 -165.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.04 97.59 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 125.366 1.466 . . . . 0.0 110.214 167.126 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.443 ' HE2' ' C ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -110.27 -24.0 10.91 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.181 1.792 . . . . 0.0 112.966 -167.11 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -142.46 156.96 45.22 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.348 1.059 . . . . 0.0 109.825 166.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 t -154.99 71.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 126.28 1.832 . . . . 0.0 107.756 -165.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -69.71 126.65 30.37 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 171.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.445 HD11 ' CD1' ' A' ' 48' ' ' LEU . 48.6 mt -128.52 123.27 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.915 0.886 . . . . 0.0 110.542 -178.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -115.65 179.32 4.0 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 128.799 2.839 . . . . 0.0 109.028 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -57.03 47.51 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 130.1 3.36 . . . . 0.0 117.412 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.18 5.27 15.11 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 126.575 2.035 . . . . 0.0 113.492 -169.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -127.48 148.23 50.31 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.331 1.565 . . . . 0.0 110.584 -174.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -142.33 134.11 26.98 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 124.685 1.194 . . . . 0.0 109.795 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -129.11 81.77 2.04 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 -178.255 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.548 HG21 ' CE2' ' A' ' 52' ' ' PHE . 1.3 t -78.08 155.24 5.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 112.999 -1.909 . . . . 0.0 106.438 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -150.69 146.76 26.67 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 120.753 -1.217 . . . . 0.0 110.156 -166.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.628 ' CE2' HD21 ' A' ' 34' ' ' LEU . 16.6 m-85 -133.11 168.88 17.71 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -173.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -95.98 -11.06 27.11 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -170.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.3 144.32 21.88 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.132 1.373 . . . . 0.0 110.276 -177.429 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.46 -16.39 64.19 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -170.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -51.4 -45.12 62.41 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.284 1.433 . . . . 0.0 113.967 168.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.1 p -67.31 -44.09 80.02 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 124.98 1.312 . . . . 0.0 112.0 -175.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.405 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -63.69 -49.42 73.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 117.904 -1.046 . . . . 0.0 110.911 170.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.33 -49.82 60.62 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 119.686 1.13 . . . . 0.0 111.897 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -44.5 76.51 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-O 118.169 -0.92 . . . . 0.0 112.84 175.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.25 85.67 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 119.671 1.123 . . . . 0.0 110.571 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.6 mt -54.6 -59.91 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 125.038 1.335 . . . . 0.0 110.596 171.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.42 -33.33 69.56 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -79.76 -39.03 31.9 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.631 1.572 . . . . 0.0 113.674 -174.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.515 HG13 HG21 ' A' ' 97' ' ' VAL . 13.6 p -149.2 1.61 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -166.209 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -73.45 130.09 39.37 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 119.575 -1.953 . . . . 0.0 111.395 168.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.72 -9.17 72.52 Favored Glycine 0 N--CA 1.472 1.079 0 C-N-CA 125.316 1.436 . . . . 0.0 111.73 172.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.439 ' HE2' ' HA ' ' A' ' 85' ' ' VAL . 1.8 mppt? -76.82 136.95 38.95 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 127.7 2.4 . . . . 0.0 108.973 169.515 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.2 p -83.75 110.04 17.99 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 125.64 1.576 . . . . 0.0 111.921 -171.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -106.93 144.44 33.56 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 122.005 -0.434 . . . . 0.0 109.924 172.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 53.85 -60.87 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 128.099 2.56 . . . . 0.0 116.299 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -156.6 -5.31 0.11 Allowed 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 126.571 1.949 . . . . 0.0 113.685 -175.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -161.09 165.01 17.85 Favored Pre-proline 0 N--CA 1.476 0.848 0 CA-C-N 120.192 1.36 . . . . 0.0 112.479 177.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -75.09 152.77 40.76 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 N-CA-C 116.478 1.684 . . . . 0.0 116.478 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.506 ' HB3' HG23 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -83.8 141.58 31.27 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 129.87 3.268 . . . . 0.0 112.291 179.775 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -115.15 50.91 0.95 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 125.898 2.761 . . . . 0.0 109.742 -178.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.515 HG21 HG13 ' A' ' 85' ' ' VAL . 54.8 t -67.18 104.21 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.505 -0.755 0 C-N-CA 127.584 2.354 . . . . 0.0 106.733 -177.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.664 HG13 ' H ' ' A' ' 99' ' ' TYR 0.3 1.1 p -153.76 -128.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.259 0 C-N-CA 116.754 -1.978 . . . . 0.0 114.592 -164.016 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.664 ' H ' HG13 ' A' ' 98' ' ' VAL . 13.0 m-30 -109.58 16.02 22.48 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 127.661 2.384 . . . . 0.0 110.041 168.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.526 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.345 31.3 t . . . . . 0 CA--C 1.549 0.925 0 C-N-CA 131.605 3.962 . . . . 0.0 120.118 -170.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.4 m . . . . . 0 N--CA 1.465 0.285 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.467 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 1.7 m-80 64.27 -15.85 0.08 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.612 2.365 . . . . 0.0 115.886 -177.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.4 p -138.45 32.16 2.31 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 119.054 2.983 . . . . 0.0 119.054 -165.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 6.1 mpt_? -132.92 135.53 45.61 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 121.293 1.861 . . . . 0.0 113.087 -174.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.739 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -114.05 125.74 54.33 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 119.951 -1.718 . . . . 0.0 112.911 -168.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -112.64 109.31 18.77 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 124.233 1.968 . . . . 0.0 105.943 -167.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.297 6.8 t -135.1 100.11 2.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 112.876 -1.965 . . . . 0.0 107.348 -159.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.492 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -141.79 7.73 0.03 OUTLIER Pre-proline 0 CA--C 1.551 1.003 0 N-CA-C 119.952 3.315 . . . . 0.0 119.952 -165.244 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.492 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 76.0 Cg_exo -53.06 -41.91 68.45 Favored 'Trans proline' 0 C--N 1.356 0.963 0 CA-C-N 123.642 2.336 . . . . 0.0 114.843 170.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.88 154.49 94.64 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 126.53 1.932 . . . . 0.0 112.231 -170.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -78.13 -167.49 0.5 Allowed 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 121.597 1.532 . . . . 0.0 110.076 165.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mp -52.47 -14.23 0.46 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.012 1.725 . . . . 0.0 114.836 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -58.42 -33.2 69.42 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.173 2.189 . . . . 0.0 115.558 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -68.35 139.7 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 120.24 1.382 . . . . 0.0 111.967 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -143.16 175.57 9.77 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.817 1.247 . . . . 0.0 110.182 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -53.32 -32.36 48.57 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-O 118.131 -0.938 . . . . 0.0 112.836 176.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.9 p -65.96 -34.27 77.71 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.773 1.624 . . . . 0.0 114.289 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -80.65 -39.65 26.95 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.361 1.064 . . . . 0.0 108.734 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.8 mt -62.85 -39.16 93.53 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.694 168.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.05 -39.98 91.91 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.126 1.33 . . . . 0.0 112.052 174.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -62.21 -42.59 99.44 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 171.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 82.1 mt -80.55 -36.88 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.162 0.985 . . . . 0.0 112.947 -174.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.424 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 47.7 m-85 -106.28 -21.0 13.22 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.662 1.985 . . . . 0.0 114.006 -169.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -48.31 -33.11 10.69 Favored Glycine 0 CA--C 1.543 1.832 0 CA-C-O 117.218 -1.879 . . . . 0.0 115.0 169.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -63.0 -22.85 73.99 Favored 'Trans proline' 0 CA--C 1.546 1.094 0 CA-C-N 121.851 2.826 . . . . 0.0 114.433 172.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.9 m-30 -87.75 -40.83 13.76 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.352 1.061 . . . . 0.0 111.059 -173.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.62 -88.37 0.26 Allowed Glycine 0 CA--C 1.535 1.303 0 N-CA-C 118.491 2.156 . . . . 0.0 118.491 165.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -63.24 -35.57 62.41 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 N-CA-C 118.099 2.307 . . . . 0.0 118.099 -165.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.9 mtp 31.55 50.88 0.15 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 127.34 2.256 . . . . 0.0 114.448 -170.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -25.82 52.66 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 126.997 2.119 . . . . 0.0 113.42 -173.154 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -152.17 156.51 39.94 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.067 0.461 . . . . 0.0 112.028 169.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 t -154.35 68.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.322 0 C-N-CA 125.177 1.391 . . . . 0.0 108.202 -171.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -66.52 122.44 17.57 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.137 -0.977 . . . . 0.0 108.447 177.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.598 ' C ' HD12 ' A' ' 64' ' ' LEU . 13.6 mm -113.69 124.37 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.46 1.104 . . . . 0.0 110.329 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.604 HD13 ' CE1' ' A' ' 69' ' ' PHE . 4.4 mp -132.56 177.9 7.25 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.777 2.431 . . . . 0.0 109.863 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -58.23 49.66 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 130.305 3.442 . . . . 0.0 117.725 -169.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.01 3.18 18.07 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.985 1.755 . . . . 0.0 113.148 -169.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -132.74 140.96 48.3 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 118.267 1.034 . . . . 0.0 110.831 -171.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.04 135.66 53.74 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 126.4 1.88 . . . . 0.0 107.585 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.604 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -128.76 83.89 2.19 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 177.004 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.424 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 2.1 t -79.22 166.44 2.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 113.299 -1.773 . . . . 0.0 108.342 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.564 ' CD ' ' HE ' ' A' ' 33' ' ' ARG . 26.3 tt0 -160.22 154.74 23.83 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.14 -0.975 . . . . 0.0 110.938 -171.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.739 ' CE2' HD21 ' A' ' 34' ' ' LEU . 25.9 m-85 -132.45 165.53 24.09 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 113.703 -1.589 . . . . 0.0 111.437 169.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -98.71 2.77 47.39 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.21 149.97 42.08 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.159 1.384 . . . . 0.0 111.617 -177.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.81 -23.01 59.61 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -177.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -58.97 -52.67 64.74 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.588 1.086 . . . . 0.0 113.798 174.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.519 ' HB2' ' CG ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -56.36 -46.79 79.84 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 126.55 1.94 . . . . 0.0 112.122 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.83 -47.47 65.95 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 175.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.62 -46.42 77.38 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.411 1.085 . . . . 0.0 112.016 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.2 -39.33 78.71 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-O 117.844 -1.075 . . . . 0.0 112.72 173.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.99 -46.0 78.83 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.468 1.031 . . . . 0.0 110.303 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.9 mt -52.82 -59.25 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.57 0 C-N-CA 124.35 1.06 . . . . 0.0 109.99 172.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -63.32 -25.22 68.21 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.06 -35.0 29.19 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.861 1.665 . . . . 0.0 113.401 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.624 HG13 HG21 ' A' ' 97' ' ' VAL . 7.2 p -147.95 -12.33 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.856 1.799 . . . . 0.0 115.856 -168.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -63.42 119.69 10.21 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 119.44 -2.037 . . . . 0.0 110.777 168.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.05 2.9 58.07 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 123.614 0.626 . . . . 0.0 112.211 171.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -96.64 132.51 42.21 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 126.585 1.954 . . . . 0.0 108.464 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.7 p -79.6 96.75 6.25 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 124.744 1.218 . . . . 0.0 113.267 -169.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.56 ' HB2' HD21 ' A' ' 95' ' ' LEU . 2.6 t80 -95.14 142.01 28.09 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.997 -0.439 . . . . 0.0 111.096 170.245 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 55.09 -59.97 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 128.574 2.75 . . . . 0.0 117.11 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -151.57 -10.23 0.21 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 126.872 2.069 . . . . 0.0 114.227 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -158.88 164.19 21.83 Favored Pre-proline 0 N--CA 1.475 0.817 0 CA-C-N 119.432 1.015 . . . . 0.0 111.311 -171.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.78 151.62 31.93 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 121.016 1.144 . . . . 0.0 114.754 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.56 HD21 ' HB2' ' A' ' 90' ' ' PHE . 2.0 mm? -69.92 154.25 42.2 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 113.683 -1.599 . . . . 0.0 111.728 169.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -129.07 49.68 2.21 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 125.545 2.593 . . . . 0.0 109.554 -171.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.624 HG21 HG13 ' A' ' 85' ' ' VAL . 50.8 t -72.28 106.29 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 129.086 2.954 . . . . 0.0 107.192 -173.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.873 HG13 ' H ' ' A' ' 99' ' ' TYR 0.282 1.9 p -157.31 -114.39 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 121.43 1.923 . . . . 0.0 114.816 -162.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.873 ' H ' HG13 ' A' ' 98' ' ' VAL . 7.8 m-30 -117.28 11.39 14.02 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.884 2.474 . . . . 0.0 112.121 173.218 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.594 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 18.1 m . . . . . 0 N--CA 1.479 1.003 2 C-N-CA 133.856 4.862 . . . . 0.0 122.224 -175.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.1 m . . . . . 0 CA--C 1.537 0.454 0 CA-C-O 121.25 0.548 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.538 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 1.9 m-20 61.53 10.65 3.35 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 128.718 2.807 . . . . 0.0 115.029 172.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.424 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 70.1 p -151.8 20.66 0.7 Allowed 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 -164.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.624 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 92.7 mtt180 -134.52 139.04 45.15 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 122.273 2.306 . . . . 0.0 115.857 -164.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.614 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -117.22 109.04 16.39 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 120.2 -1.563 . . . . 0.0 113.649 -167.636 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.486 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 1.1 t80 -102.14 98.89 8.99 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-O 123.725 1.726 . . . . 0.0 109.124 -169.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.7 127.29 58.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 122.853 1.311 . . . . 0.0 107.818 -170.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.597 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 19.6 ptt-85 -147.35 11.41 0.02 OUTLIER Pre-proline 0 CA--C 1.554 1.126 0 N-CA-C 119.698 3.222 . . . . 0.0 119.698 -163.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.597 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 78.2 Cg_exo -54.45 -42.46 67.66 Favored 'Trans proline' 0 C--N 1.356 0.923 0 CA-C-N 123.444 2.266 . . . . 0.0 115.105 172.184 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.59 137.69 58.9 Favored Pre-proline 0 N--CA 1.448 -0.57 0 C-N-CA 126.839 2.055 . . . . 0.0 113.484 -168.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -65.65 -167.48 0.11 Allowed 'Trans proline' 0 CA--C 1.556 1.615 0 C-N-CA 123.16 2.573 . . . . 0.0 110.991 163.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.7 mp -61.98 -4.9 1.8 Allowed 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -175.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -69.9 -11.49 60.91 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 174.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 p -79.8 146.9 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 119.674 1.124 . . . . 0.0 110.847 169.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -161.73 -169.45 2.25 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.626 1.17 . . . . 0.0 110.784 168.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.68 -36.58 57.3 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -169.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -64.36 -29.73 70.8 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 121.411 1.914 . . . . 0.0 114.34 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -85.14 -41.02 16.08 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 125.095 1.358 . . . . 0.0 108.832 -176.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.67 -39.95 95.54 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.296 169.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -58.23 -44.5 88.26 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 120.789 -1.194 . . . . 0.0 112.066 171.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -60.14 -36.48 77.6 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 173.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.9 mt -84.07 -42.63 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 124.585 1.154 . . . . 0.0 112.659 -175.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.574 ' CE2' HG21 ' A' ' 70' ' ' VAL . 66.9 m-85 -101.8 -31.75 10.6 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.482 1.913 . . . . 0.0 114.248 -171.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.04 -34.52 23.96 Favored Glycine 0 CA--C 1.544 1.88 0 CA-C-O 117.274 -1.848 . . . . 0.0 114.877 174.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -59.15 -25.76 79.24 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 CA-C-N 121.816 2.808 . . . . 0.0 114.779 172.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 4.9 m-85 -81.15 -28.24 35.13 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.075 1.35 . . . . 0.0 112.442 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.79 -83.56 0.31 Allowed Glycine 0 CA--C 1.534 1.271 0 C-N-CA 123.887 0.756 . . . . 0.0 113.095 172.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -81.36 166.03 18.35 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.586 2.858 . . . . 0.0 113.253 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mtp -155.11 97.27 1.91 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 129.64 3.176 . . . . 0.0 104.772 166.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.5 -23.06 15.69 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 125.483 1.513 . . . . 0.0 111.847 -168.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.43 156.82 32.84 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.952 1.701 . . . . 0.0 110.188 167.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.418 HG13 HG22 ' A' ' 70' ' ' VAL . 2.3 t -155.76 78.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 125.494 1.518 . . . . 0.0 107.695 -166.036 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.73 122.38 24.64 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 174.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.486 ' C ' HD22 ' A' ' 64' ' ' LEU . 49.5 mt -130.41 123.86 56.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.315 1.046 . . . . 0.0 110.004 -174.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.486 HD22 ' C ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -132.97 -175.13 3.68 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 127.637 2.375 . . . . 0.0 110.066 -169.146 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -52.21 46.07 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.33 1 C-N-CA 132.417 4.287 . . . . 0.0 118.206 -173.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.72 24.37 9.31 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 126.373 1.939 . . . . 0.0 112.589 -168.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -136.19 148.75 48.28 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.83 0.852 . . . . 0.0 111.019 -177.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.04 136.19 35.02 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.615 1.166 . . . . 0.0 109.5 169.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -126.45 82.64 2.09 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 126.429 1.891 . . . . 0.0 106.023 174.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.574 HG21 ' CE2' ' A' ' 52' ' ' PHE . 1.8 t -75.57 164.02 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 113.192 -1.822 . . . . 0.0 108.259 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -155.66 145.13 21.02 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 120.95 -1.094 . . . . 0.0 108.965 -168.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.614 ' CE2' HD21 ' A' ' 34' ' ' LEU . 10.6 m-85 -127.61 171.34 11.74 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.999 1.32 . . . . 0.0 111.937 178.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -109.11 10.02 26.09 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.202 1.001 . . . . 0.0 113.019 173.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -131.67 111.41 11.66 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.144 2.178 . . . . 0.0 108.617 -173.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.55 -30.39 69.74 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 120.283 -1.511 . . . . 0.0 113.019 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -65.81 -24.38 66.9 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.384 1.074 . . . . 0.0 113.327 172.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.412 ' HA ' ' HE2' ' A' ' 80' ' ' LYS . 52.9 p -76.16 -38.27 56.9 Favored 'General case' 0 CA--C 1.516 -0.334 0 O-C-N 121.387 -0.821 . . . . 0.0 111.509 178.363 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -66.85 -44.14 81.79 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.638 167.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.75 -51.72 54.09 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.688 1.131 . . . . 0.0 112.097 177.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' A' ' 77' ' ' SER . 0.2 OUTLIER -66.93 -42.86 84.6 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 118.133 -0.937 . . . . 0.0 112.472 174.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.11 79.28 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.437 1.017 . . . . 0.0 110.633 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.2 mt -56.54 -61.12 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.448 0 C-N-CA 125.002 1.321 . . . . 0.0 110.028 172.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -60.96 -30.48 70.27 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -176.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -71.92 -43.83 64.67 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.962 1.705 . . . . 0.0 113.184 -177.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.506 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 8.6 p -150.08 4.21 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 -166.046 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -70.45 123.9 22.89 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 119.388 -2.07 . . . . 0.0 111.097 168.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.46 -10.11 72.93 Favored Glycine 0 N--CA 1.471 1.024 0 C-N-CA 125.711 1.624 . . . . 0.0 112.147 173.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.506 ' HE2' ' HA ' ' A' ' 85' ' ' VAL . 2.2 mppt? -75.34 142.61 43.15 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 127.489 2.315 . . . . 0.0 108.064 168.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.465 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 49.5 m -92.9 127.85 38.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.812 0.815 . . . . 0.0 111.953 -174.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -114.82 147.65 39.55 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.68 171.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 55.48 -59.45 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 127.69 2.396 . . . . 0.0 115.73 -174.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -156.54 -6.95 0.1 Allowed 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 127.127 2.171 . . . . 0.0 114.613 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -163.01 165.37 14.91 Favored Pre-proline 0 N--CA 1.482 1.152 0 CA-C-N 119.816 1.189 . . . . 0.0 111.69 -169.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.465 ' HA ' ' HA ' ' A' ' 89' ' ' SER . 60.9 Cg_endo -82.4 161.12 17.3 Favored 'Trans proline' 0 C--N 1.345 0.346 0 N-CA-C 118.301 2.385 . . . . 0.0 118.301 -171.075 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.42 ' CD1' ' HG2' ' A' ' 38' ' ' PRO . 1.0 OUTLIER -96.21 139.82 31.81 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 130.001 3.32 . . . . 0.0 111.482 -176.813 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -115.76 48.71 1.18 Allowed 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 124.693 2.187 . . . . 0.0 109.02 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.401 HG21 HG13 ' A' ' 85' ' ' VAL . 72.1 t -62.34 109.39 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 C-N-CA 125.975 1.71 . . . . 0.0 108.005 174.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.483 HG13 ' H ' ' A' ' 99' ' ' TYR 0.297 0.5 OUTLIER -156.1 -136.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 N-CA-C 117.539 2.422 . . . . 0.0 117.539 -164.658 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.538 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 16.0 m-30 -105.99 49.26 0.81 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.287 2.235 . . . . 0.0 105.91 165.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.624 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 25.2 m . . . . . 0 N--CA 1.476 0.834 0 C-N-CA 126.395 1.878 . . . . 0.0 113.54 -171.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.411 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.8 OUTLIER 64.13 -24.34 0.07 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 127.067 2.147 . . . . 0.0 116.139 -177.588 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.3 p -140.26 44.74 1.87 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 116.768 2.136 . . . . 0.0 116.768 -166.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.525 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 5.3 mpt_? -136.55 123.5 21.44 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 123.504 1.621 . . . . 0.0 114.999 176.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.564 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -100.31 105.04 16.54 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 120.839 -1.163 . . . . 0.0 110.368 -171.304 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.456 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 4.4 t80 -92.81 97.62 10.88 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 125.349 2.5 . . . . 0.0 106.821 -172.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.485 HG12 ' HE1' ' A' ' 39' ' ' PHE 0.286 40.2 t -126.53 91.72 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 111.627 -2.533 . . . . 0.0 107.213 -160.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.4 ptt85 -125.79 14.83 0.06 OUTLIER Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 118.419 2.748 . . . . 0.0 118.419 -166.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -71.9 -32.13 11.72 Favored 'Trans proline' 0 C--N 1.351 0.673 0 CA-C-N 122.437 1.906 . . . . 0.0 113.042 -177.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.485 ' HE1' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -79.9 157.67 73.69 Favored Pre-proline 0 C--N 1.323 -0.565 0 C-N-CA 125.918 1.687 . . . . 0.0 112.613 -169.258 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -81.83 -159.35 0.11 Allowed 'Trans proline' 0 CA--C 1.548 1.206 0 C-N-CA 122.446 2.097 . . . . 0.0 110.177 165.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.628 ' H ' HD22 ' A' ' 41' ' ' LEU . 1.8 mm? -52.35 -22.89 5.05 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.356 1.463 . . . . 0.0 113.741 174.336 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -71.28 31.28 0.05 OUTLIER 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 127.878 2.471 . . . . 0.0 115.245 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.9 p -128.67 139.79 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.238 1.415 . . . . 0.0 111.265 168.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -149.34 169.72 20.17 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.123 1.369 . . . . 0.0 109.338 -169.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -30.24 56.84 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -64.39 -33.15 75.18 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.145 -1.597 . . . . 0.0 114.568 172.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -81.96 -40.03 22.83 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 120.269 -1.519 . . . . 0.0 109.208 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.5 HD13 HD11 ' A' ' 63' ' ' ILE . 4.7 mt -65.49 -33.54 76.17 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.693 171.067 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -62.82 -44.76 95.3 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 119.784 -1.822 . . . . 0.0 111.84 169.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -58.28 -37.53 75.19 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.3 mt -91.98 -34.54 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.056 0.942 . . . . 0.0 112.892 -172.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.482 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 30.0 m-85 -107.76 -18.96 13.69 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.571 1.548 . . . . 0.0 113.581 -172.371 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.11 -33.13 29.49 Favored Glycine 0 CA--C 1.541 1.697 0 CA-C-O 117.688 -1.618 . . . . 0.0 114.643 168.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -62.32 -25.0 76.25 Favored 'Trans proline' 0 C--N 1.358 1.077 0 CA-C-N 121.538 2.669 . . . . 0.0 114.51 171.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.402 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.9 m-30 -84.5 -49.82 8.29 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.553 0.741 . . . . 0.0 111.312 -175.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.71 -73.1 0.29 Allowed Glycine 0 CA--C 1.54 1.602 0 CA-C-O 118.265 -1.297 . . . . 0.0 115.398 169.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -68.16 32.56 0.15 Allowed 'Trans proline' 0 CA--C 1.548 1.201 0 C-N-CA 124.498 3.466 . . . . 0.0 118.706 -173.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.4 ptm -57.18 69.3 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 127.742 2.417 . . . . 0.0 114.369 170.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -65.28 -36.93 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 130.219 3.408 . . . . 0.0 112.996 -178.348 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -147.77 156.39 42.69 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 121.934 0.873 . . . . 0.0 110.65 173.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.602 HG13 HG22 ' A' ' 70' ' ' VAL . 2.4 t -150.3 72.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 -168.172 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -71.1 111.02 6.13 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.859 -1.164 . . . . 0.0 107.859 -174.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.588 ' C ' HD12 ' A' ' 64' ' ' LEU . 42.6 mt -120.1 123.14 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.375 1.07 . . . . 0.0 111.985 -168.239 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.588 HD12 ' C ' ' A' ' 63' ' ' ILE . 5.0 mp -132.79 -178.72 5.07 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 129.004 2.921 . . . . 0.0 109.648 -171.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -56.53 50.56 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 130.898 3.679 . . . . 0.0 117.978 -171.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.75 13.75 17.55 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.255 1.407 . . . . 0.0 113.105 -169.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -134.24 144.56 48.48 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.835 0.826 . . . . 0.0 111.659 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -128.79 131.63 47.81 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 126.66 1.984 . . . . 0.0 107.059 169.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.482 ' HE1' HD13 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -122.74 82.4 1.98 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 172.462 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.602 HG22 HG13 ' A' ' 61' ' ' VAL . 1.7 t -68.94 158.2 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.11 -1.404 . . . . 0.0 107.784 175.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -154.62 142.04 19.65 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 120.964 -1.085 . . . . 0.0 108.443 -168.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.564 ' CE2' HD21 ' A' ' 34' ' ' LEU . 6.1 m-85 -124.75 163.79 21.35 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.776 0.673 . . . . 0.0 111.897 177.081 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -102.95 7.28 39.21 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.774 0.83 . . . . 0.0 112.641 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -148.02 137.51 22.31 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.395 1.478 . . . . 0.0 110.133 -168.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.05 -29.54 49.35 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 116.463 2.024 . . . . 0.0 116.463 -169.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.1 -32.44 73.59 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 120.458 1.481 . . . . 0.0 112.026 175.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.1 p -59.39 -40.9 88.03 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.825 0.85 . . . . 0.0 112.17 174.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.83 -45.86 56.14 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.508 -0.758 . . . . 0.0 111.03 175.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.52 -47.17 63.4 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 123.76 0.824 . . . . 0.0 111.849 174.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -69.68 -41.72 75.08 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-O 117.574 -1.203 . . . . 0.0 112.481 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.26 -44.67 84.12 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.08 1.309 . . . . 0.0 110.402 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.407 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 14.4 mt -53.73 -59.64 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 124.624 1.17 . . . . 0.0 110.398 172.494 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -63.97 -25.77 68.28 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -75.89 -41.19 52.77 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.606 1.563 . . . . 0.0 112.574 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.699 HG13 HG21 ' A' ' 97' ' ' VAL . 7.8 p -149.58 -0.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -166.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 12.8 t60 -67.32 120.13 13.33 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 119.359 -2.088 . . . . 0.0 112.556 169.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.35 -2.62 87.48 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.824 1.202 . . . . 0.0 112.176 172.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.68 143.39 40.09 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.787 2.035 . . . . 0.0 107.753 169.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.9 p -91.55 102.64 15.29 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.594 1.158 . . . . 0.0 112.581 -169.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.526 ' HB2' HD21 ' A' ' 95' ' ' LEU . 8.6 t80 -100.5 141.9 32.72 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.702 -0.624 . . . . 0.0 111.866 173.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 53.21 -56.46 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 129.271 3.028 . . . . 0.0 117.039 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -152.63 -10.38 0.18 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.735 2.014 . . . . 0.0 114.123 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -157.4 161.94 28.31 Favored Pre-proline 0 N--CA 1.474 0.728 0 CA-C-N 119.613 1.097 . . . . 0.0 111.988 -171.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.39 149.16 27.32 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 121.132 1.221 . . . . 0.0 114.702 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.543 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.4 mm? -70.23 161.59 30.02 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.05 2.14 . . . . 0.0 113.714 173.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -130.61 48.89 2.36 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 124.835 2.255 . . . . 0.0 109.662 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.699 HG21 HG13 ' A' ' 85' ' ' VAL . 53.1 t -65.26 98.08 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 127.778 2.431 . . . . 0.0 106.682 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.939 HG13 ' H ' ' A' ' 99' ' ' TYR 0.278 1.5 p -157.12 -112.88 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 121.267 1.849 . . . . 0.0 112.958 -163.688 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.939 ' H ' HG13 ' A' ' 98' ' ' VAL . 5.4 m-85 -119.61 12.18 12.22 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 128.798 2.839 . . . . 0.0 110.624 174.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.525 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.37 28.9 t . . . . . 0 CA--C 1.545 0.773 0 C-N-CA 129.837 3.255 . . . . 0.0 118.281 -175.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 m . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.522 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.8 OUTLIER 55.29 6.15 0.15 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.653 1.981 . . . . 0.0 115.608 -168.535 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.3 p -149.64 16.33 0.89 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 118.016 2.599 . . . . 0.0 118.016 -162.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.422 ' CB ' ' HB3' ' A' ' 100' ' ' SER . 56.1 mtt85 -137.5 127.86 26.43 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 125.469 2.557 . . . . 0.0 116.696 -166.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.507 ' HA ' ' H ' ' A' ' 98' ' ' VAL . 0.2 OUTLIER -100.25 97.19 8.01 Favored 'General case' 0 N--CA 1.426 -1.656 0 CA-C-N 113.174 -1.83 . . . . 0.0 110.7 -168.319 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -92.98 94.9 9.16 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 124.318 2.008 . . . . 0.0 110.067 -169.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -124.97 127.31 72.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 123.504 1.621 . . . . 0.0 108.363 -173.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.3 ptt85 -154.24 27.7 0.04 OUTLIER Pre-proline 0 CA--C 1.547 0.85 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -163.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.61 -30.32 6.45 Favored 'Trans proline' 0 C--N 1.354 0.828 0 CA-C-N 121.682 1.637 . . . . 0.0 112.669 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.02 163.75 66.12 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 126.075 1.75 . . . . 0.0 113.643 -168.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -84.54 -163.18 0.18 Allowed 'Trans proline' 0 CA--C 1.55 1.305 0 C-N-CA 123.545 2.83 . . . . 0.0 109.206 165.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 mp -55.29 -18.91 7.14 Favored 'General case' 0 CA--C 1.553 1.076 0 O-C-N 120.317 -1.489 . . . . 0.0 114.098 175.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.69 -17.15 63.83 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.443 2.297 . . . . 0.0 115.951 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.82 143.93 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 122.153 2.251 . . . . 0.0 110.738 170.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.27 173.46 11.94 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.321 0.582 . . . . 0.0 111.233 171.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.55 -27.97 18.89 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 176.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.6 m -73.96 -29.91 62.25 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.788 1.235 . . . . 0.0 113.126 175.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -75.1 -42.0 57.5 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 123.245 1.498 . . . . 0.0 108.559 176.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.6 mt -67.88 -32.66 73.31 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 114.074 -1.421 . . . . 0.0 109.882 173.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.63 -42.05 98.21 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 119.891 -1.756 . . . . 0.0 112.244 170.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -60.65 -36.95 79.96 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 173.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.0 mt -91.4 -32.97 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.848 0.859 . . . . 0.0 113.101 -173.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -109.47 -16.19 14.05 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.65 1.98 . . . . 0.0 112.864 -171.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.18 -33.25 37.72 Favored Glycine 0 CA--C 1.544 1.891 0 CA-C-O 117.319 -1.823 . . . . 0.0 114.366 167.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.88 -28.67 86.75 Favored 'Trans proline' 0 C--N 1.353 0.809 0 CA-C-N 121.701 2.751 . . . . 0.0 113.843 170.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -79.71 -55.06 5.28 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.595 1.158 . . . . 0.0 108.867 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.74 -67.75 0.33 Allowed Glycine 0 CA--C 1.535 1.323 0 N-CA-C 117.502 1.761 . . . . 0.0 117.502 167.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -79.24 27.11 0.53 Allowed 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.986 3.124 . . . . 0.0 116.077 -166.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -42.5 97.16 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 126.24 1.816 . . . . 0.0 112.292 172.206 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.6 -30.62 16.26 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 128.24 2.616 . . . . 0.0 111.306 -169.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -143.45 156.18 44.57 Favored 'General case' 0 CA--C 1.513 -0.47 0 C-N-CA 123.818 0.847 . . . . 0.0 110.062 169.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.6 t -151.15 63.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 -167.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -71.01 110.57 5.78 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -172.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.63 ' C ' HD12 ' A' ' 64' ' ' LEU . 11.1 mm -107.38 127.17 63.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.954 1.302 . . . . 0.0 109.588 -174.104 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.63 HD12 ' C ' ' A' ' 63' ' ' ILE . 0.5 OUTLIER -134.4 168.29 19.19 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 126.137 1.775 . . . . 0.0 108.667 176.142 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.67 96.27 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.937 1.295 . . . . 0.0 113.874 168.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.02 5.72 81.0 Favored Glycine 0 CA--C 1.536 1.353 0 N-CA-C 115.549 0.98 . . . . 0.0 115.549 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -130.16 148.97 52.06 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 118.661 1.23 . . . . 0.0 113.202 174.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.47 116.65 11.81 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 126.983 2.113 . . . . 0.0 107.798 172.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.528 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -109.68 82.54 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 175.363 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.405 ' HB ' ' HB2' ' A' ' 34' ' ' LEU . 1.6 t -70.1 159.92 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 114.217 -1.356 . . . . 0.0 107.417 171.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -157.66 153.31 26.53 Favored 'General case' 0 C--N 1.315 -0.927 0 O-C-N 120.779 -1.201 . . . . 0.0 109.219 -167.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.486 ' CE2' HD21 ' A' ' 34' ' ' LEU . 28.0 m-85 -129.36 168.21 16.6 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.852 1.261 . . . . 0.0 110.769 174.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -100.68 5.2 43.7 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 176.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.85 173.13 11.82 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.013 1.725 . . . . 0.0 110.86 170.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.81 -6.9 19.83 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 -171.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -72.91 -38.73 66.79 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.739 -1.226 . . . . 0.0 111.148 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.5 p -58.76 -46.85 86.53 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 126.872 2.069 . . . . 0.0 111.416 170.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.09 79.04 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.118 172.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.72 -49.51 65.26 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 119.142 0.883 . . . . 0.0 112.516 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.5 pttt -67.5 -43.35 81.1 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 118.064 -0.969 . . . . 0.0 113.257 175.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.54 -43.03 84.08 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.347 0.976 . . . . 0.0 109.89 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.0 mt -55.02 -60.41 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.25 0 C-N-CA 124.598 1.159 . . . . 0.0 110.205 173.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -62.3 -29.32 70.35 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.05 -41.97 73.48 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.038 1.335 . . . . 0.0 113.094 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.468 HG13 HG21 ' A' ' 97' ' ' VAL . 7.0 p -152.68 0.06 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -166.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -67.34 121.37 15.57 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 119.152 -2.218 . . . . 0.0 110.169 168.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.53 2.29 57.63 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.411 1.005 . . . . 0.0 112.409 172.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -96.06 130.46 43.07 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 127.149 2.18 . . . . 0.0 108.757 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.3 p -74.53 101.39 4.16 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 125.974 1.71 . . . . 0.0 112.211 -171.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -103.85 145.72 29.7 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.559 -0.713 . . . . 0.0 110.419 171.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 55.73 -55.28 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 128.351 2.66 . . . . 0.0 116.952 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -154.41 -10.5 0.13 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.808 2.043 . . . . 0.0 114.242 174.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -159.59 162.85 24.5 Favored Pre-proline 0 N--CA 1.474 0.759 0 CA-C-N 120.311 1.414 . . . . 0.0 112.054 -170.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.54 150.7 36.24 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 N-CA-C 116.014 1.505 . . . . 0.0 116.014 -176.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.33 143.3 38.88 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 128.793 2.837 . . . . 0.0 112.741 177.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -118.9 48.47 1.46 Allowed 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 125.625 2.631 . . . . 0.0 109.62 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.468 HG21 HG13 ' A' ' 85' ' ' VAL . 57.5 t -61.32 103.93 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 CA-C-N 112.956 -1.929 . . . . 0.0 107.749 176.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.73 HG13 ' H ' ' A' ' 99' ' ' TYR 0.303 0.5 OUTLIER -153.03 -128.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 117.733 -1.587 . . . . 0.0 114.156 -165.038 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.73 ' H ' HG13 ' A' ' 98' ' ' VAL . 15.0 m-30 -111.65 24.15 13.07 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 127.534 2.334 . . . . 0.0 110.029 169.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.422 ' HB3' ' CB ' ' A' ' 33' ' ' ARG 0.293 29.3 t . . . . . 0 CA--C 1.537 0.46 0 C-N-CA 130.869 3.668 . . . . 0.0 119.304 -169.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.47 0.531 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.558 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 20.0 m-20 56.19 11.41 0.77 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 127.317 2.247 . . . . 0.0 114.888 -172.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.0 p -150.31 17.77 0.84 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 117.376 2.361 . . . . 0.0 117.376 -164.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.463 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 49.1 mtt180 -138.75 134.24 33.24 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 123.587 2.903 . . . . 0.0 117.279 -168.047 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.748 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -110.67 103.08 11.6 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 113.897 -1.501 . . . . 0.0 109.582 -169.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -88.11 100.95 13.34 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 128.218 2.607 . . . . 0.0 105.0 -174.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.478 HG12 ' CE1' ' A' ' 39' ' ' PHE . 22.4 t -134.1 98.45 2.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 113.673 -1.603 . . . . 0.0 109.037 -160.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -132.19 23.75 0.1 OUTLIER Pre-proline 0 CA--C 1.55 0.965 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 -172.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.29 -11.24 24.78 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 CA-C-N 122.162 1.808 . . . . 0.0 113.915 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.478 ' CE1' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -103.6 162.77 18.99 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 125.477 1.511 . . . . 0.0 113.241 -168.706 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.38 -171.73 1.3 Allowed 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 122.838 2.358 . . . . 0.0 111.463 167.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.722 ' H ' HD22 ' A' ' 41' ' ' LEU . 1.5 mm? -47.48 -28.64 2.27 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.583 1.953 . . . . 0.0 113.635 176.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.7 -14.81 62.6 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.153 1.781 . . . . 0.0 115.11 -172.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.09 144.85 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 120.425 1.466 . . . . 0.0 109.031 168.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -150.37 170.86 18.02 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 124.246 1.018 . . . . 0.0 109.25 -175.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -54.42 -30.08 51.28 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.99 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -61.52 -36.6 81.0 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 120.343 1.428 . . . . 0.0 114.725 172.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -80.8 -41.88 22.61 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.398 1.479 . . . . 0.0 108.727 -177.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.495 HD13 HD11 ' A' ' 63' ' ' ILE . 4.6 mt -63.48 -34.92 78.82 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.97 170.364 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -64.13 -41.93 97.02 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 119.546 -1.971 . . . . 0.0 112.051 172.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -60.58 -38.84 85.9 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 173.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.0 mt -85.55 -37.55 12.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 123.762 0.825 . . . . 0.0 112.782 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.46 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 27.7 m-85 -106.3 -20.01 13.52 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.57 1.548 . . . . 0.0 113.516 -169.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.39 -33.12 31.62 Favored Glycine 0 CA--C 1.543 1.81 0 CA-C-O 117.568 -1.685 . . . . 0.0 115.034 168.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.09 -26.73 83.25 Favored 'Trans proline' 0 C--N 1.359 1.08 0 CA-C-N 121.489 2.645 . . . . 0.0 114.441 171.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.6 m-30 -81.48 -48.61 11.62 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.995 0.918 . . . . 0.0 110.725 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.02 -76.76 0.39 Allowed Glycine 0 CA--C 1.533 1.205 0 N-CA-C 115.757 1.063 . . . . 0.0 115.757 168.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -85.93 48.48 2.08 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 124.025 3.15 . . . . 0.0 114.488 -168.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.0 ptm -60.26 67.04 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 128.044 2.538 . . . . 0.0 112.794 168.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -32.55 67.38 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 130.053 3.341 . . . . 0.0 113.503 -176.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -150.32 160.15 43.93 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 122.247 1.022 . . . . 0.0 110.819 172.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.603 HG13 HG22 ' A' ' 70' ' ' VAL . 1.9 t -149.3 71.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 -170.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -71.14 103.94 2.91 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 -172.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.546 ' C ' HD12 ' A' ' 64' ' ' LEU . 36.3 mt -114.67 123.96 70.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.482 1.113 . . . . 0.0 112.299 -166.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.546 HD12 ' C ' ' A' ' 63' ' ' ILE . 5.2 mp -129.87 -175.78 3.72 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 129.029 2.932 . . . . 0.0 109.342 -173.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -58.64 56.07 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 129.568 3.147 . . . . 0.0 117.327 -170.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.74 -2.82 27.48 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.665 1.603 . . . . 0.0 113.13 -170.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -119.78 148.49 43.36 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.182 0.991 . . . . 0.0 110.778 -169.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.56 129.42 37.01 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 126.352 1.861 . . . . 0.0 107.428 169.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.439 ' CE2' HD13 ' A' ' 64' ' ' LEU . 3.6 m-85 -114.05 82.94 1.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 104.45 -2.426 . . . . 0.0 104.45 167.319 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.607 ' HB ' HD23 ' A' ' 34' ' ' LEU . 1.9 t -65.11 151.3 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 174.147 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -147.68 145.23 28.82 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -168.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.748 ' CE2' HD21 ' A' ' 34' ' ' LEU . 18.8 m-85 -123.32 166.37 15.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.947 0.879 . . . . 0.0 112.015 -178.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -105.24 13.01 31.21 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.015 1.326 . . . . 0.0 111.422 169.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -150.93 133.41 15.55 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.864 2.065 . . . . 0.0 110.164 -170.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.59 -17.71 47.34 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.993 0.917 . . . . 0.0 113.242 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -64.59 -37.91 89.2 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 169.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.3 t -65.72 -39.17 90.92 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 118.756 -0.64 . . . . 0.0 111.202 172.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.61 -49.58 72.78 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.084 0.856 . . . . 0.0 111.644 173.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.62 -49.98 64.02 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.348 1.059 . . . . 0.0 112.81 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -38.97 70.03 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 117.963 -1.018 . . . . 0.0 112.972 177.038 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.66 81.78 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.373 0.988 . . . . 0.0 109.308 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.464 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 17.8 mt -54.12 -58.45 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 124.146 0.978 . . . . 0.0 110.721 172.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -63.31 -21.15 66.08 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -87.75 -36.71 17.18 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.34 1.856 . . . . 0.0 112.983 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.697 HG13 HG21 ' A' ' 97' ' ' VAL . 12.4 p -152.52 -3.06 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -167.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.464 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 14.5 t60 -65.33 119.16 10.44 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 118.962 -2.336 . . . . 0.0 113.259 169.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.74 10.18 83.54 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 123.924 0.773 . . . . 0.0 113.31 168.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -75.09 -62.8 1.43 Allowed 'General case' 0 C--N 1.343 0.288 0 C-N-CA 125.837 1.655 . . . . 0.0 113.33 -169.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.2 t 120.54 114.49 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 131.274 3.83 . . . . 0.0 110.375 -178.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.509 ' HB2' HD21 ' A' ' 95' ' ' LEU . 16.5 t80 -123.87 148.17 47.02 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.004 1.322 . . . . 0.0 110.757 172.093 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.08 -59.72 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.739 2.416 . . . . 0.0 115.026 -170.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -156.1 -3.91 0.12 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.575 1.95 . . . . 0.0 114.566 170.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -156.28 156.23 29.98 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 119.82 1.191 . . . . 0.0 112.683 -167.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.79 166.07 27.6 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.544 2.163 . . . . 0.0 116.185 -171.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.652 ' HB3' HG23 ' A' ' 97' ' ' VAL . 2.5 mm? -100.42 156.87 17.02 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 128.161 2.584 . . . . 0.0 112.077 -174.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -119.13 50.19 1.25 Allowed 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 124.793 2.235 . . . . 0.0 110.008 172.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.697 HG21 HG13 ' A' ' 85' ' ' VAL . 60.3 t -64.04 99.76 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 126.8 2.04 . . . . 0.0 107.125 177.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.853 HG13 ' H ' ' A' ' 99' ' ' TYR 0.295 0.4 OUTLIER -155.32 -118.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.242 0.692 0 CA-C-N 121.02 1.736 . . . . 0.0 112.391 -164.999 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.853 ' H ' HG13 ' A' ' 98' ' ' VAL . 10.3 m-85 -115.73 9.2 15.12 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.708 2.403 . . . . 0.0 111.69 169.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.463 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.38 40.0 t . . . . . 0 CA--C 1.55 0.964 0 C-N-CA 129.434 3.093 . . . . 0.0 116.606 -171.526 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.492 ' HA ' ' CD1' ' A' ' 99' ' ' TYR 0.343 1.4 p30 45.77 -13.27 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 121.381 3.845 . . . . 0.0 121.381 176.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.435 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 70.9 p -146.48 27.83 1.1 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 -166.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.591 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 0.1 OUTLIER -134.27 125.19 27.21 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 117.022 2.23 . . . . 0.0 117.022 -165.028 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.847 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -104.12 109.45 21.26 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 120.889 -1.132 . . . . 0.0 111.293 -169.324 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.533 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 1.2 t80 -97.9 98.9 10.2 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 124.978 2.323 . . . . 0.0 106.734 -171.426 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.54 HG21 ' HZ ' ' A' ' 52' ' ' PHE 0.287 33.1 t -126.13 99.54 5.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 111.838 -2.437 . . . . 0.0 108.899 -158.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.472 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 16.4 ptt-85 -137.08 -2.88 0.03 OUTLIER Pre-proline 0 CA--C 1.556 1.179 0 N-CA-C 119.3 3.074 . . . . 0.0 119.3 -168.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.472 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 6.3 Cg_exo -48.66 -42.51 36.05 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 123.777 2.985 . . . . 0.0 117.419 173.176 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.79 152.32 69.07 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 125.19 1.396 . . . . 0.0 112.087 178.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -73.99 -151.3 0.03 OUTLIER 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 121.901 1.734 . . . . 0.0 109.351 165.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.804 ' H ' HD22 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -58.15 -17.73 20.53 Favored 'General case' 0 CA--C 1.553 1.091 0 O-C-N 120.348 -1.47 . . . . 0.0 113.262 172.306 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.32 37.12 0.07 Allowed 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 129.303 3.041 . . . . 0.0 116.063 -175.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.2 p -136.46 147.46 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.448 1.499 . . . . 0.0 111.237 171.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -158.94 -175.08 5.08 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.409 1.084 . . . . 0.0 111.235 172.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.11 -22.28 50.11 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 -175.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 p -71.76 -33.09 68.37 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 121.011 1.732 . . . . 0.0 114.081 171.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.6 -42.5 22.13 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.663 1.185 . . . . 0.0 108.519 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.61 HD12 HD11 ' A' ' 63' ' ' ILE . 28.8 mt -61.08 -36.11 78.76 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.917 168.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -62.38 -41.69 98.83 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 119.028 -2.295 . . . . 0.0 111.898 174.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -61.47 -38.04 85.8 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 173.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.2 mt -86.93 -37.73 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.932 0.893 . . . . 0.0 113.022 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.54 ' HZ ' HG21 ' A' ' 36' ' ' VAL . 30.0 m-85 -108.59 -22.95 12.04 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.763 2.025 . . . . 0.0 113.277 -169.03 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.83 -33.36 35.31 Favored Glycine 0 CA--C 1.544 1.871 0 CA-C-O 117.564 -1.687 . . . . 0.0 114.506 169.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.89 -27.28 84.56 Favored 'Trans proline' 0 C--N 1.356 0.926 0 CA-C-N 121.391 2.596 . . . . 0.0 114.503 169.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.415 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.8 m-30 -78.57 -48.36 15.35 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.868 0.867 . . . . 0.0 110.237 179.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.64 -74.17 0.41 Allowed Glycine 0 CA--C 1.539 1.572 0 N-CA-C 119.287 2.475 . . . . 0.0 119.287 165.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.4 -37.08 3.46 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 123.263 2.642 . . . . 0.0 117.914 -165.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.6 mtp 33.96 53.48 0.51 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 126.441 1.896 . . . . 0.0 114.897 -175.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.85 -30.24 44.6 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.204 1.802 . . . . 0.0 113.319 -172.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -152.0 156.55 40.21 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 122.276 1.036 . . . . 0.0 111.497 169.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.2 t -151.66 70.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 -167.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -75.34 121.71 22.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.61 HD11 HD12 ' A' ' 48' ' ' LEU . 14.9 mt -132.52 129.36 58.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-O 122.574 1.178 . . . . 0.0 110.395 -173.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.524 HD12 ' C ' ' A' ' 63' ' ' ILE . 5.0 mp -123.65 172.62 8.67 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 128.875 2.87 . . . . 0.0 107.62 -174.417 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -29.71 -58.25 0.17 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.428 1.891 . . . . 0.0 115.138 -169.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.96 38.68 1.68 Allowed Glycine 0 CA--C 1.532 1.127 0 C-N-CA 126.011 1.767 . . . . 0.0 113.233 169.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -138.59 153.56 48.67 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.767 1.227 . . . . 0.0 111.377 -178.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -137.25 141.2 42.01 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 126.236 1.814 . . . . 0.0 109.829 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.496 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -133.94 79.59 1.82 Allowed 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 105.561 -2.015 . . . . 0.0 105.561 177.369 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.57 ' HB ' HD23 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -70.53 158.79 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 112.288 -2.233 . . . . 0.0 106.7 174.438 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -156.89 150.07 24.03 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 120.999 -1.063 . . . . 0.0 108.863 -167.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.847 ' CE2' HD21 ' A' ' 34' ' ' LEU . 26.5 m-85 -131.62 159.77 37.31 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.707 1.203 . . . . 0.0 110.561 176.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -92.37 -3.58 55.11 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.0 163.16 33.44 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.188 1.395 . . . . 0.0 112.201 177.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.1 1.71 55.18 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -169.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -87.78 -46.03 9.81 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 124.473 1.109 . . . . 0.0 112.801 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -60.72 -36.26 78.38 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 168.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.435 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -65.71 -54.48 26.78 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 118.846 -0.597 . . . . 0.0 111.957 174.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.79 -47.06 71.15 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 123.833 0.853 . . . . 0.0 112.067 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.1 -41.7 77.1 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 117.746 -1.121 . . . . 0.0 112.756 175.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.86 77.51 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.761 1.164 . . . . 0.0 110.165 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.7 mt -51.91 -59.93 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.352 1.061 . . . . 0.0 110.679 172.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -64.3 -25.8 68.21 Favored 'General case' 0 CA--C 1.551 0.991 0 O-C-N 121.319 -0.863 . . . . 0.0 113.248 -177.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -79.23 -39.2 33.76 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.551 1.941 . . . . 0.0 112.848 -178.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.623 HG13 HG21 ' A' ' 97' ' ' VAL . 14.4 p -149.14 -3.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 -167.184 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -66.71 124.94 24.29 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 119.413 -2.054 . . . . 0.0 111.929 169.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.02 -3.38 87.32 Favored Glycine 0 N--CA 1.472 1.044 0 C-N-CA 123.87 0.747 . . . . 0.0 111.93 169.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -81.32 140.61 34.69 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.949 2.1 . . . . 0.0 108.328 169.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.7 p -85.31 92.65 8.5 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 124.897 1.279 . . . . 0.0 112.505 -169.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.55 ' HB2' HD21 ' A' ' 95' ' ' LEU . 8.7 t80 -84.26 137.76 33.3 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.868 -0.52 . . . . 0.0 112.015 173.222 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.1 -55.1 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 129.117 2.967 . . . . 0.0 116.479 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -152.88 -11.67 0.16 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.25 2.22 . . . . 0.0 113.203 -176.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -165.84 164.4 11.71 Favored Pre-proline 0 N--CA 1.479 1.003 0 CA-C-N 120.476 1.489 . . . . 0.0 112.966 -172.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -80.84 145.74 16.07 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 N-CA-C 116.211 1.581 . . . . 0.0 116.211 -174.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.668 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.9 mm? -62.68 161.67 11.95 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.314 2.245 . . . . 0.0 113.593 172.022 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -126.57 48.57 2.13 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-O 124.23 1.967 . . . . 0.0 109.434 169.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.668 HG23 ' HB3' ' A' ' 95' ' ' LEU . 53.9 t -64.23 99.07 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 127.635 2.374 . . . . 0.0 107.231 177.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.829 HG13 ' H ' ' A' ' 99' ' ' TYR 0.258 1.3 p -158.29 -122.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 120.878 1.672 . . . . 0.0 114.612 -163.283 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.829 ' H ' HG13 ' A' ' 98' ' ' VAL . 6.7 m-85 -114.49 67.37 0.68 Allowed 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 130.265 3.426 . . . . 0.0 106.078 168.579 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.591 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 15.3 t . . . . . 0 N--CA 1.471 0.619 0 O-C-N 120.668 -1.27 . . . . 0.0 110.133 177.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.469 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 1.0 OUTLIER 54.4 8.09 0.18 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 128.019 2.528 . . . . 0.0 115.525 -170.621 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.6 p -147.74 12.9 1.02 Allowed 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 117.234 2.309 . . . . 0.0 117.234 -163.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 43.3 mtt-85 -130.82 129.39 42.31 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 119.542 3.164 . . . . 0.0 119.542 -165.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.612 HD21 ' CZ ' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -100.53 101.94 12.99 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 114.197 -1.365 . . . . 0.0 110.354 -172.3 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.433 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 1.5 t80 -95.41 101.11 12.81 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 124.195 1.95 . . . . 0.0 109.688 -174.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.403 ' CG1' ' HG ' ' A' ' 95' ' ' LEU . 28.0 m -133.06 129.69 57.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.45 -1.25 . . . . 0.0 108.7 -168.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -151.61 17.57 0.02 OUTLIER Pre-proline 0 CA--C 1.552 1.031 0 N-CA-C 117.475 2.398 . . . . 0.0 117.475 -165.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 60.5 Cg_endo -73.76 -25.91 14.1 Favored 'Trans proline' 0 C--N 1.353 0.807 0 CA-C-N 122.679 1.992 . . . . 0.0 113.756 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.437 ' CD1' HG11 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -74.76 157.47 85.79 Favored Pre-proline 0 CA--C 1.538 0.488 0 C-N-CA 125.745 1.618 . . . . 0.0 113.003 -169.763 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.66 -175.69 1.21 Allowed 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.215 1.943 . . . . 0.0 110.364 166.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.653 ' H ' HD22 ' A' ' 41' ' ' LEU . 1.1 mm? -58.83 -16.46 17.31 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.048 1.339 . . . . 0.0 113.857 -176.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.86 -17.98 63.4 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.246 2.219 . . . . 0.0 115.897 -175.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.437 HG11 ' CD1' ' A' ' 39' ' ' PHE . 6.8 p -60.14 141.55 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 CA-C-N 120.845 1.657 . . . . 0.0 112.825 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -141.89 173.59 11.37 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.966 1.306 . . . . 0.0 111.23 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -51.06 -30.55 16.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.62 1.168 . . . . 0.0 113.21 173.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.88 -33.69 76.16 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 173.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -83.81 -39.94 19.35 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.61 1.564 . . . . 0.0 108.482 -176.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.5 mt -62.72 -38.51 90.74 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.07 168.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -59.93 -41.76 92.49 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.724 -1.235 . . . . 0.0 112.719 172.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -59.68 -37.19 78.11 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 171.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.8 mt -80.17 -40.41 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.355 1.062 . . . . 0.0 112.457 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.585 ' CE2' HG21 ' A' ' 70' ' ' VAL . 55.3 m-85 -105.84 -25.11 12.3 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.348 1.859 . . . . 0.0 114.802 -169.056 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.72 -32.19 24.67 Favored Glycine 0 CA--C 1.54 1.654 0 CA-C-O 117.367 -1.796 . . . . 0.0 116.043 171.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.24 -24.94 79.87 Favored 'Trans proline' 0 C--N 1.361 1.23 0 CA-C-N 121.828 2.814 . . . . 0.0 114.141 173.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.6 m-85 -89.96 -44.13 10.09 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.752 1.221 . . . . 0.0 111.564 -177.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.61 -70.69 0.28 Allowed Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.133 1.349 . . . . 0.0 114.512 169.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -63.61 21.2 0.06 OUTLIER 'Trans proline' 0 CA--C 1.545 1.052 1 C-N-CA 125.515 4.144 . . . . 0.0 120.171 -173.116 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.419 ' HE3' ' HB2' ' A' ' 52' ' ' PHE . 2.7 ptm -49.08 108.91 0.21 Allowed 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 121.487 1.949 . . . . 0.0 109.702 168.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.51 ' HE2' ' C ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -128.28 -21.66 3.52 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.998 1.319 . . . . 0.0 113.631 -164.877 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.37 153.56 47.69 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.621 0.768 . . . . 0.0 109.984 165.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 t -153.67 77.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 124.447 1.099 . . . . 0.0 108.468 -166.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 127.97 34.96 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 169.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.469 ' C ' HD12 ' A' ' 64' ' ' LEU . 30.8 mt -133.79 123.96 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 122.396 1.093 . . . . 0.0 109.528 176.005 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.524 HD13 ' CE1' ' A' ' 69' ' ' PHE . 1.2 mp -122.24 172.0 8.61 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 127.376 2.27 . . . . 0.0 107.813 -177.184 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -12.4 -70.24 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 128.861 2.864 . . . . 0.0 114.648 -176.35 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.99 36.44 1.92 Allowed Glycine 0 CA--C 1.54 1.609 0 C-N-CA 127.11 2.29 . . . . 0.0 112.707 169.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -134.74 149.74 50.48 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.672 1.589 . . . . 0.0 110.664 -173.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -142.09 139.78 32.33 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.7 1.2 . . . . 0.0 111.423 -177.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.524 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -137.71 82.81 1.94 Allowed 'General case' 0 C--O 1.235 0.303 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 -174.876 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.585 HG21 ' CE2' ' A' ' 52' ' ' PHE . 1.5 t -84.54 158.8 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 113.674 -1.603 . . . . 0.0 108.353 -174.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -144.52 149.73 36.38 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.924 1.238 . . . . 0.0 110.325 -169.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.612 ' CZ ' HD21 ' A' ' 34' ' ' LEU . 22.9 m-85 -128.1 154.53 45.62 Favored 'General case' 0 C--O 1.231 0.084 0 N-CA-C 115.382 1.623 . . . . 0.0 115.382 -177.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.406 ' N ' ' HE2' ' A' ' 59' ' ' LYS . 10.0 pt-20 -87.74 -7.62 57.11 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.092 1.357 . . . . 0.0 113.041 177.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -129.02 128.66 44.1 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.496 1.519 . . . . 0.0 110.443 169.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.3 -18.55 61.64 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.737 -0.602 . . . . 0.0 111.919 169.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -66.86 -27.54 67.62 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.339 1.056 . . . . 0.0 113.015 170.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.518 ' HA ' ' CE ' ' A' ' 80' ' ' LYS . 12.5 t -76.34 -33.24 58.98 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 119.67 1.123 . . . . 0.0 111.827 169.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.36 -51.11 68.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 118.476 -0.774 . . . . 0.0 109.627 170.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.9 -52.24 25.59 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 124.932 1.293 . . . . 0.0 113.255 171.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.518 ' CE ' ' HA ' ' A' ' 77' ' ' SER . 1.5 ptpt -67.25 -44.74 78.64 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-O 118.731 -0.652 . . . . 0.0 112.129 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.3 -39.76 88.11 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.785 0.72 . . . . 0.0 110.38 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.465 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 16.7 mt -55.89 -59.81 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 123.581 0.752 . . . . 0.0 109.993 173.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -61.69 -31.86 72.03 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -76.81 -40.36 48.31 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.646 1.579 . . . . 0.0 113.191 -176.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.573 HG13 HG21 ' A' ' 97' ' ' VAL . 8.2 p -150.84 2.78 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -165.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.465 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 9.6 t60 -71.1 127.35 32.29 Favored 'General case' 0 N--CA 1.481 1.104 0 O-C-N 119.123 -2.236 . . . . 0.0 111.815 168.435 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.31 -9.27 67.68 Favored Glycine 0 N--CA 1.471 0.97 0 C-N-CA 125.444 1.497 . . . . 0.0 112.06 171.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.495 ' HE2' ' HA ' ' A' ' 85' ' ' VAL . 1.9 mppt? -74.24 137.98 43.36 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 127.596 2.358 . . . . 0.0 109.051 169.131 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.0 p -85.46 105.49 16.12 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 125.395 1.478 . . . . 0.0 111.743 -169.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -103.14 146.91 27.68 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.287 0.635 . . . . 0.0 110.245 173.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 59.84 -66.42 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.665 1.986 . . . . 0.0 114.797 -172.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.46 -2.97 0.06 Allowed 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 128.506 2.722 . . . . 0.0 113.587 -178.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -153.82 160.41 30.97 Favored Pre-proline 0 N--CA 1.486 1.355 0 C-N-CA 125.086 1.354 . . . . 0.0 111.02 -170.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -80.48 163.58 21.7 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.794 1.663 . . . . 0.0 115.56 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.6 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.5 mp -101.57 133.45 46.22 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 128.976 2.91 . . . . 0.0 111.911 -173.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -103.05 51.06 0.8 Allowed 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 125.09 2.376 . . . . 0.0 109.596 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.6 HG23 ' HB3' ' A' ' 95' ' ' LEU . 57.7 t -65.06 101.26 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.66 0 C-N-CA 126.851 2.06 . . . . 0.0 106.877 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.671 HG13 ' H ' ' A' ' 99' ' ' TYR 0.285 0.7 OUTLIER -154.26 -128.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 117.331 -1.748 . . . . 0.0 113.562 -164.194 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.671 ' H ' HG13 ' A' ' 98' ' ' VAL . 11.2 m-30 -107.53 17.34 22.82 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 127.268 2.227 . . . . 0.0 109.547 166.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.459 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.449 14.0 t . . . . . 0 CA--C 1.543 0.703 0 C-N-CA 131.289 3.836 . . . . 0.0 119.485 -172.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 CA--C 1.539 0.557 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.477 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.8 OUTLIER 59.76 -11.49 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 127.371 2.268 . . . . 0.0 116.966 -169.683 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.6 p -138.88 22.69 2.64 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 117.524 2.416 . . . . 0.0 117.524 -165.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.546 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 21.8 mtt180 -133.14 141.36 48.1 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 121.698 2.044 . . . . 0.0 116.06 -167.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.769 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -114.74 109.89 18.88 Favored 'General case' 0 C--N 1.315 -0.931 0 O-C-N 120.271 -1.518 . . . . 0.0 111.436 -168.557 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.44 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 0.9 OUTLIER -94.59 102.14 14.05 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 -173.119 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.306 15.7 t -128.16 102.03 7.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-N 113.485 -1.689 . . . . 0.0 106.955 -160.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.471 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 19.4 ptt-85 -135.82 0.36 0.04 OUTLIER Pre-proline 0 CA--C 1.553 1.069 0 N-CA-C 121.022 3.712 . . . . 0.0 121.022 -165.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 59.3 Cg_exo -50.91 -36.04 51.61 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.149 2.566 . . . . 0.0 116.501 175.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -76.5 159.36 79.75 Favored Pre-proline 0 CA--C 1.536 0.412 0 C-N-CA 126.041 1.736 . . . . 0.0 113.964 -168.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -81.0 -167.15 0.47 Allowed 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.935 2.424 . . . . 0.0 111.467 166.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.71 ' H ' HD22 ' A' ' 41' ' ' LEU . 1.6 mm? -44.3 -28.16 0.5 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 127.113 2.165 . . . . 0.0 114.048 175.574 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.19 -22.24 66.87 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.844 2.057 . . . . 0.0 115.116 -173.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.0 p -68.73 133.83 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 120.896 1.68 . . . . 0.0 111.695 174.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -140.08 178.73 7.06 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.477 1.511 . . . . 0.0 109.267 176.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -22.68 29.81 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.2 m -74.51 -30.69 61.9 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.802 1.241 . . . . 0.0 113.072 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -83.8 -38.12 21.68 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.601 1.56 . . . . 0.0 107.876 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.576 HD12 HD11 ' A' ' 63' ' ' ILE . 55.5 mt -64.85 -34.87 79.4 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.082 167.079 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -61.05 -39.88 91.53 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 119.315 -2.116 . . . . 0.0 112.453 170.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.42 -39.67 80.41 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 171.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.2 mt -87.48 -41.76 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.638 1.175 . . . . 0.0 114.135 -176.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.447 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 56.5 m-85 -100.36 -21.7 15.33 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.4 2.28 . . . . 0.0 113.442 -169.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -47.58 -35.35 10.99 Favored Glycine 0 CA--C 1.543 1.785 0 CA-C-O 117.481 -1.733 . . . . 0.0 115.654 170.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -61.45 -25.51 79.92 Favored 'Trans proline' 0 C--N 1.355 0.898 0 CA-C-N 121.461 2.631 . . . . 0.0 114.254 173.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.401 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.4 m-30 -85.17 -49.24 8.39 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.899 0.88 . . . . 0.0 111.15 -174.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.7 -71.98 0.44 Allowed Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.129 1.347 . . . . 0.0 115.194 169.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -51.68 -52.25 9.42 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 124.17 3.247 . . . . 0.0 117.725 -169.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.3 ptp 22.53 62.68 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 127.573 2.349 . . . . 0.0 114.204 -173.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -33.97 74.21 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 128.676 2.791 . . . . 0.0 114.005 -167.3 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -145.03 161.25 39.87 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.297 0.57 . . . . 0.0 112.421 169.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 t -153.29 72.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.328 -163.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -69.3 126.1 28.74 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 170.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.576 HD11 HD12 ' A' ' 48' ' ' LEU . 9.5 mt -131.79 126.23 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 119.81 1.186 . . . . 0.0 110.378 177.041 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.525 HD13 ' CE1' ' A' ' 69' ' ' PHE . 3.4 mp -133.34 92.57 3.02 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 127.42 2.288 . . . . 0.0 109.692 -168.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 38.39 38.53 0.23 Allowed 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 117.12 2.267 . . . . 0.0 117.12 168.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.07 -34.78 2.56 Favored Glycine 0 N--CA 1.471 1.018 0 O-C-N 120.28 -1.513 . . . . 0.0 114.57 -175.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -96.58 147.09 24.23 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 124.759 1.223 . . . . 0.0 110.245 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.74 140.18 51.15 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 126.969 2.108 . . . . 0.0 108.076 173.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.525 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -133.35 81.06 1.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 176.61 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.447 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 1.3 t -74.35 163.28 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 112.78 -2.009 . . . . 0.0 107.701 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -153.4 152.7 31.35 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 121.139 -0.976 . . . . 0.0 109.891 -168.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.769 ' CE2' HD21 ' A' ' 34' ' ' LEU . 22.3 m-85 -129.8 160.47 33.36 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.058 1.343 . . . . 0.0 111.436 171.028 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -86.71 -8.53 57.33 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.87 156.85 47.94 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.486 1.914 . . . . 0.0 111.499 174.113 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.62 -4.09 47.18 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -74.23 -43.01 58.76 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 120.834 -1.166 . . . . 0.0 112.445 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 t -65.77 -32.37 73.87 Favored 'General case' 0 CA--C 1.514 -0.432 0 O-C-N 121.344 -0.848 . . . . 0.0 112.165 169.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.66 -48.04 76.26 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 118.359 -0.829 . . . . 0.0 111.303 172.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.2 -51.08 57.2 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 124.16 0.984 . . . . 0.0 112.462 172.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -68.64 -40.32 80.32 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.74 -43.77 85.61 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.436 0.694 . . . . 0.0 109.859 176.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.458 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 15.3 mt -56.15 -55.66 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 121.013 -1.054 . . . . 0.0 110.494 174.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.06 -24.06 66.86 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -88.58 -37.42 15.68 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.445 1.498 . . . . 0.0 113.704 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.806 HG13 HG21 ' A' ' 97' ' ' VAL . 10.9 p -148.51 -9.01 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 116.202 1.927 . . . . 0.0 116.202 -167.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.458 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 10.1 t60 -63.85 118.1 7.89 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 119.423 -2.048 . . . . 0.0 112.906 170.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.99 -1.96 87.76 Favored Glycine 0 N--CA 1.474 1.207 0 C-N-CA 124.474 1.035 . . . . 0.0 111.497 171.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.445 ' HE2' ' CA ' ' A' ' 85' ' ' VAL . 2.3 mppt? -79.76 147.44 31.86 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.98 1.712 . . . . 0.0 106.914 168.132 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.1 m -95.29 122.95 38.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.095 0.474 . . . . 0.0 111.6 -173.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.628 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.2 t80 -110.43 144.76 38.74 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.024 0.929 . . . . 0.0 111.652 169.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.92 -58.73 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 128.794 2.838 . . . . 0.0 115.69 -173.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -155.41 -4.39 0.14 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.771 2.028 . . . . 0.0 114.322 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -162.94 167.05 12.46 Favored Pre-proline 0 CA--C 1.549 0.909 0 CA-C-N 120.556 1.525 . . . . 0.0 112.83 -170.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -84.92 157.96 11.69 Favored 'Trans proline' 0 C--N 1.346 0.409 0 N-CA-C 118.035 2.283 . . . . 0.0 118.035 -170.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.628 HD21 ' HB2' ' A' ' 90' ' ' PHE . 1.5 mm? -82.35 153.73 25.62 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.565 2.346 . . . . 0.0 113.122 171.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -123.14 53.72 1.29 Allowed 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 125.479 2.562 . . . . 0.0 110.377 175.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.806 HG21 HG13 ' A' ' 85' ' ' VAL . 68.0 t -66.41 99.17 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 127.528 2.331 . . . . 0.0 107.677 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.819 HG13 ' H ' ' A' ' 99' ' ' TYR 0.298 0.3 OUTLIER -156.25 -104.46 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 CA-C-N 120.707 1.594 . . . . 0.0 113.284 -165.359 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.819 ' H ' HG13 ' A' ' 98' ' ' VAL . 8.7 m-85 -125.11 17.07 8.46 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 129.085 2.954 . . . . 0.0 110.526 176.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.546 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.47 1.4 p . . . . . 0 CA--C 1.54 0.582 2 C-N-CA 134.846 5.258 . . . . 0.0 122.266 -171.115 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.731 0.777 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.568 ' CD1' ' H ' ' A' ' 30' ' ' SER . 0.2 OUTLIER -145.26 -154.94 0.57 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 129.461 3.104 . . . . 0.0 104.68 171.023 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.568 ' H ' ' CD1' ' A' ' 29' ' ' LEU . 49.8 m -64.22 -15.81 60.75 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 120.171 -1.58 . . . . 0.0 112.575 166.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.468 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 21.9 m-20 51.6 -11.35 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 131.387 3.875 . . . . 0.0 118.834 177.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.413 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 25.4 p -146.77 22.88 1.25 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 -165.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.651 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 19.6 mtt180 -129.76 129.54 44.25 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -166.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.786 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -105.39 111.05 23.63 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.52 -170.406 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.499 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 1.8 t80 -100.12 93.74 5.88 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 125.162 2.411 . . . . 0.0 106.634 -169.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.43 HG12 ' HE1' ' A' ' 39' ' ' PHE 0.273 39.4 t -122.97 92.71 2.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 111.482 -2.599 . . . . 0.0 108.259 -160.095 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.9 ptt-85 -127.64 19.19 0.08 OUTLIER Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 117.581 2.437 . . . . 0.0 117.581 -168.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -72.14 -34.76 7.74 Favored 'Trans proline' 0 C--N 1.354 0.833 0 CA-C-N 122.555 1.948 . . . . 0.0 113.455 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.43 ' HE1' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -76.56 159.01 80.38 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 127.019 2.127 . . . . 0.0 113.021 -169.013 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -80.25 -159.96 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 122.385 2.057 . . . . 0.0 110.0 164.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.589 ' H ' HD22 ' A' ' 41' ' ' LEU . 2.1 mm? -54.27 -13.09 0.77 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.727 1.611 . . . . 0.0 114.79 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.14 -31.54 71.26 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.913 2.085 . . . . 0.0 114.95 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.0 p -69.28 137.29 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 119.95 1.25 . . . . 0.0 111.942 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -142.17 177.23 8.38 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.076 1.35 . . . . 0.0 109.413 171.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -55.96 -22.9 29.0 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -71.19 -33.01 69.56 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.315 1.416 . . . . 0.0 113.707 173.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -83.2 -37.04 24.16 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 125.648 1.579 . . . . 0.0 108.113 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.0 mt -66.11 -37.83 86.72 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.965 168.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -59.54 -39.29 83.46 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 119.68 -1.887 . . . . 0.0 112.477 172.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -60.96 -42.24 97.88 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 171.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.5 mt -84.07 -39.29 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.462 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 31.0 m-85 -100.94 -27.02 13.53 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.771 2.028 . . . . 0.0 112.808 -168.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -46.67 -36.78 8.42 Favored Glycine 0 CA--C 1.544 1.868 0 CA-C-O 117.921 -1.488 . . . . 0.0 115.622 170.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.8 -24.4 78.9 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 123.341 2.694 . . . . 0.0 115.125 173.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -73.94 -39.37 63.83 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.238 1.015 . . . . 0.0 111.098 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.97 -84.39 0.37 Allowed Glycine 0 CA--C 1.533 1.209 0 C-N-CA 125.756 1.646 . . . . 0.0 111.16 -174.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -62.77 164.88 17.45 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.168 2.579 . . . . 0.0 114.317 173.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.6 ptm 175.4 66.05 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 130.296 3.438 . . . . 0.0 107.968 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.41 -31.98 71.7 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 128.509 2.723 . . . . 0.0 113.514 -168.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -139.46 153.03 47.47 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 123.546 0.739 . . . . 0.0 110.339 168.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.1 t -152.13 64.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 124.251 1.02 . . . . 0.0 108.552 -166.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -70.79 117.79 12.75 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -175.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.624 ' C ' HD12 ' A' ' 64' ' ' LEU . 11.1 mm -110.62 125.44 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.985 1.314 . . . . 0.0 110.702 -176.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.624 HD12 ' C ' ' A' ' 63' ' ' ILE . 4.3 mp -133.29 178.77 6.65 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.737 2.415 . . . . 0.0 109.903 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -57.63 47.19 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 130.587 3.555 . . . . 0.0 118.026 -169.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.88 6.43 14.23 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 126.157 1.837 . . . . 0.0 112.806 -169.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -132.27 143.17 49.72 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 117.994 0.897 . . . . 0.0 110.901 -173.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.74 135.92 51.74 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 126.832 2.053 . . . . 0.0 107.21 173.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.597 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -127.63 84.74 2.28 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 175.003 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.462 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 2.0 t -77.94 162.27 4.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 112.938 -1.937 . . . . 0.0 107.62 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -156.61 152.73 27.55 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 121.36 -0.838 . . . . 0.0 109.896 -169.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.786 ' CE2' HD21 ' A' ' 34' ' ' LEU . 16.1 m-85 -130.75 161.57 31.42 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.329 1.051 . . . . 0.0 111.178 171.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -88.72 1.03 55.86 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.98 169.84 19.02 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.445 1.898 . . . . 0.0 111.775 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.8 -1.11 50.31 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 -169.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -83.66 -40.04 19.46 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.093 -1.004 . . . . 0.0 112.56 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -62.63 -35.0 78.19 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 117.936 0.335 . . . . 0.0 110.533 169.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -65.83 -51.04 62.3 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.517 -0.739 . . . . 0.0 112.058 173.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.71 -47.64 70.32 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 123.81 0.844 . . . . 0.0 112.46 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.7 -39.05 70.45 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 117.87 -1.062 . . . . 0.0 113.321 175.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.94 -46.2 74.94 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 119.569 1.077 . . . . 0.0 109.302 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.427 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 14.3 mt -54.13 -59.81 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.373 0 C-N-CA 124.553 1.141 . . . . 0.0 110.41 173.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -63.95 -23.0 67.17 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -80.33 -38.42 30.61 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.806 1.643 . . . . 0.0 112.881 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.58 HG13 HG21 ' A' ' 97' ' ' VAL . 7.1 p -152.46 -2.48 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 -166.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 13.4 t60 -63.16 116.84 5.77 Favored 'General case' 0 N--CA 1.483 1.197 0 O-C-N 118.928 -2.357 . . . . 0.0 112.769 169.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.58 -1.29 83.77 Favored Glycine 0 N--CA 1.472 1.087 0 C-N-CA 124.36 0.981 . . . . 0.0 112.658 169.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -74.73 142.72 44.35 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 126.703 2.001 . . . . 0.0 107.491 168.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.9 p -86.81 96.61 10.26 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.136 0.974 . . . . 0.0 112.026 -174.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.527 ' HB2' HD21 ' A' ' 95' ' ' LEU . 12.5 t80 -90.87 140.84 29.43 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.46 -0.775 . . . . 0.0 111.594 173.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.61 -59.26 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 128.536 2.734 . . . . 0.0 116.166 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -155.25 -8.68 0.12 Allowed 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 126.926 2.09 . . . . 0.0 113.287 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -162.38 164.6 16.79 Favored Pre-proline 0 CA--C 1.549 0.94 0 CA-C-N 120.123 1.329 . . . . 0.0 112.988 -176.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.93 157.8 30.96 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 N-CA-C 116.345 1.633 . . . . 0.0 116.345 -177.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.572 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.3 mm? -80.35 162.3 24.59 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.616 2.366 . . . . 0.0 114.133 175.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -130.63 51.34 2.13 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 124.882 2.277 . . . . 0.0 110.008 171.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.58 HG21 HG13 ' A' ' 85' ' ' VAL . 66.7 t -64.21 103.52 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 127.798 2.439 . . . . 0.0 107.337 177.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.516 HG13 ' N ' ' A' ' 99' ' ' TYR . 1.0 OUTLIER -159.95 -135.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.522 0 CA-C-N 121.415 1.916 . . . . 0.0 114.315 -163.221 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.516 ' N ' HG13 ' A' ' 98' ' ' VAL . 12.4 m-30 -106.0 68.34 0.77 Allowed 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 127.096 2.159 . . . . 0.0 106.092 165.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.651 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 41.5 t -44.22 137.28 3.56 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -170.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -69.01 15.97 0.06 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 128.435 2.694 . . . . 0.0 115.564 -169.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.2 mp -116.42 130.11 24.74 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 126.205 1.802 . . . . 0.0 109.816 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -84.41 -6.23 10.04 Favored 'Trans proline' 0 CA--C 1.548 1.209 0 C-N-CA 123.885 3.057 . . . . 0.0 114.274 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.306 0 C-N-CA 126.904 2.082 . . . . 0.0 111.979 -174.48 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 121.154 0.502 . . . . 0.0 110.769 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.454 ' CD1' ' H ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -143.36 -171.09 3.42 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.959 2.103 . . . . 0.0 108.91 -177.083 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.454 ' H ' ' CD1' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -66.57 -5.56 11.89 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.287 1.435 . . . . 0.0 114.14 170.521 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.569 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 24.7 m-20 45.55 -5.12 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.006 1 C-N-CA 132.017 4.127 . . . . 0.0 120.499 175.476 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.8 p -145.24 22.64 1.52 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.652 2.094 . . . . 0.0 116.652 -166.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.505 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 8.6 mpt_? -131.65 130.2 41.79 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.352 1.982 . . . . 0.0 116.352 -166.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.681 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -105.83 111.06 23.57 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 120.982 -1.074 . . . . 0.0 110.946 -170.725 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.416 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 3.2 t80 -103.33 103.6 13.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 125.167 2.413 . . . . 0.0 106.942 -170.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.439 HG12 ' HE1' ' A' ' 39' ' ' PHE 0.307 41.6 t -126.78 91.33 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 111.994 -2.366 . . . . 0.0 106.991 -159.788 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -126.02 19.67 0.08 OUTLIER Pre-proline 0 CA--C 1.553 1.094 0 N-CA-C 119.118 3.007 . . . . 0.0 119.118 -167.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HD2' ' CE1' ' A' ' 39' ' ' PHE . 81.3 Cg_endo -77.87 -28.49 5.05 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.361 2.041 . . . . 0.0 114.982 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.439 ' HE1' HG12 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -79.2 161.69 66.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 C-N-CA 125.208 1.403 . . . . 0.0 113.724 -167.711 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -73.21 -167.67 0.37 Allowed 'Trans proline' 0 N--CA 1.449 -1.141 0 C-N-CA 122.064 1.843 . . . . 0.0 113.514 164.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 mp -69.15 41.98 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 126.781 2.032 . . . . 0.0 113.047 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.2 p30 -129.97 1.46 4.79 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.323 2.249 . . . . 0.0 115.404 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -94.34 139.49 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.607 1.163 . . . . 0.0 109.853 169.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -146.55 175.93 10.21 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.42 1.488 . . . . 0.0 109.421 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -27.62 19.21 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 176.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.3 m -72.26 -32.22 66.48 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.512 1.125 . . . . 0.0 113.367 176.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -82.51 -37.02 25.86 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.893 1.277 . . . . 0.0 108.476 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.35 -37.34 87.17 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.317 167.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -61.82 -38.66 88.96 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 120.043 -1.661 . . . . 0.0 112.758 172.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -61.86 -39.38 91.69 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 170.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.3 mt -87.26 -36.01 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.518 1.127 . . . . 0.0 113.302 -174.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.403 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 29.4 m-85 -105.56 -21.37 13.22 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 127.561 2.344 . . . . 0.0 113.373 -171.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.26 -33.76 24.06 Favored Glycine 0 CA--C 1.544 1.891 0 CA-C-O 117.507 -1.719 . . . . 0.0 115.03 169.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -62.42 -26.66 76.75 Favored 'Trans proline' 0 C--N 1.358 1.063 0 CA-C-N 121.43 2.615 . . . . 0.0 114.091 171.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.403 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 3.0 m-30 -78.46 -50.14 12.18 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.734 1.214 . . . . 0.0 109.854 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.72 -66.47 0.41 Allowed Glycine 0 CA--C 1.536 1.357 0 N-CA-C 116.804 1.482 . . . . 0.0 116.804 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -86.45 21.07 1.12 Allowed 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.461 2.774 . . . . 0.0 116.197 -167.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.3 ptm -36.62 91.25 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 127.48 2.312 . . . . 0.0 112.323 170.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.78 -32.9 16.74 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 128.004 2.522 . . . . 0.0 113.213 -166.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.71 156.53 45.04 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.993 0.902 . . . . 0.0 111.998 172.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.6 t -153.45 116.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 113.505 -1.68 . . . . 0.0 108.697 -166.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.12 111.81 16.97 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 -174.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.592 ' C ' HD12 ' A' ' 64' ' ' LEU . 14.6 mm -109.38 123.95 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.981 1.312 . . . . 0.0 109.746 -172.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.592 HD12 ' C ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -135.23 175.73 9.32 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.434 1.894 . . . . 0.0 109.956 -179.09 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -39.35 100.74 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.718 1.607 . . . . 0.0 113.36 167.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.64 -4.53 7.03 Favored Glycine 0 CA--C 1.535 1.33 0 N-CA-C 115.601 1.0 . . . . 0.0 115.601 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -123.42 151.0 43.1 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 122.821 1.296 . . . . 0.0 113.251 -168.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.18 135.29 42.96 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 128.096 2.558 . . . . 0.0 107.293 171.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.575 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -128.83 91.19 3.17 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 173.852 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.4 165.52 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.139 -1.391 . . . . 0.0 108.198 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -158.51 153.98 25.97 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 121.37 -0.831 . . . . 0.0 110.421 -167.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.681 ' CE2' HD21 ' A' ' 34' ' ' LEU . 36.0 m-85 -130.86 166.84 20.01 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.649 1.58 . . . . 0.0 110.485 172.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -93.64 -5.25 49.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.75 -178.93 6.03 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.658 1.583 . . . . 0.0 111.298 170.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.81 -1.01 21.25 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -169.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -76.41 -37.35 57.23 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 120.38 -1.45 . . . . 0.0 111.105 173.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.8 p -59.33 -46.2 89.26 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.275 1.83 . . . . 0.0 111.976 169.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.64 -47.91 83.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 118.492 -0.766 . . . . 0.0 111.483 171.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.78 -47.82 67.27 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.384 0.993 . . . . 0.0 112.63 175.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -69.31 -40.77 77.46 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 118.597 -0.716 . . . . 0.0 112.667 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.29 -46.53 83.05 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.776 0.716 . . . . 0.0 109.661 178.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.45 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 15.7 mt -53.11 -58.43 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 124.637 1.175 . . . . 0.0 110.625 173.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -64.27 -22.8 67.07 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -83.21 -36.58 24.51 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.721 1.608 . . . . 0.0 113.19 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.77 HG13 HG21 ' A' ' 97' ' ' VAL . 11.0 p -151.73 -4.28 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 -167.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.45 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 14.2 t60 -64.27 119.05 9.54 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 119.016 -2.303 . . . . 0.0 112.868 169.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.03 -3.44 84.55 Favored Glycine 0 N--CA 1.474 1.233 0 C-N-CA 124.28 0.943 . . . . 0.0 112.259 169.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -72.78 142.63 48.09 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.915 2.086 . . . . 0.0 107.723 169.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.3 p -91.04 100.16 13.06 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.283 1.033 . . . . 0.0 111.954 -173.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.54 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.3 t80 -94.28 142.08 27.82 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.571 -0.705 . . . . 0.0 111.224 173.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 56.93 -62.38 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 128.117 2.567 . . . . 0.0 115.851 -176.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -153.72 -4.28 0.19 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.617 1.967 . . . . 0.0 114.001 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -159.12 160.91 28.7 Favored Pre-proline 0 CA--C 1.548 0.874 0 CA-C-N 119.74 1.155 . . . . 0.0 112.579 -172.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -80.53 158.44 22.22 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 N-CA-C 116.161 1.562 . . . . 0.0 116.161 -172.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.582 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.1 mm? -81.74 155.5 25.46 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.882 2.073 . . . . 0.0 113.096 174.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -124.86 48.1 2.04 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 125.011 2.339 . . . . 0.0 109.316 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.77 HG21 HG13 ' A' ' 85' ' ' VAL . 60.3 t -66.13 102.44 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 128.01 2.524 . . . . 0.0 107.129 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.659 HG13 ' H ' ' A' ' 99' ' ' TYR 0.266 1.6 p -157.82 -127.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 120.619 1.554 . . . . 0.0 114.025 -163.025 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.659 ' H ' HG13 ' A' ' 98' ' ' VAL . 14.5 m-30 -109.08 23.9 13.88 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.348 2.259 . . . . 0.0 110.404 168.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.505 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.276 32.6 t 13.04 88.38 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 129.115 2.966 . . . . 0.0 117.397 -168.65 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 pptp? -63.62 -172.77 0.06 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.328 1.451 . . . . 0.0 111.675 167.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.6 mt -49.39 149.53 3.86 Favored Pre-proline 0 CA--C 1.554 1.096 0 C-N-CA 124.52 1.128 . . . . 0.0 113.997 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.81 -11.68 3.78 Favored 'Trans proline' 0 CA--C 1.547 1.137 0 C-N-CA 125.069 3.846 . . . . 0.0 117.496 176.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.331 0 C-N-CA 125.378 1.471 . . . . 0.0 111.106 171.148 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 120.911 0.386 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.9 -57.59 0.24 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.664 1.586 . . . . 0.0 109.56 176.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 m -175.01 -27.76 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 129.763 3.225 . . . . 0.0 109.333 176.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.514 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.7 OUTLIER 63.3 2.57 1.16 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 128.608 2.763 . . . . 0.0 116.176 167.444 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.7 p -150.8 22.72 0.78 Allowed 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -164.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 36.1 mtt180 -135.84 136.46 40.64 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 121.742 2.065 . . . . 0.0 116.087 -164.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.733 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -115.55 118.88 34.38 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 120.514 -1.366 . . . . 0.0 112.512 -167.819 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -105.44 98.68 8.34 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 125.054 2.359 . . . . 0.0 106.182 -168.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.407 HG12 ' HE1' ' A' ' 39' ' ' PHE 0.31 25.2 t -126.42 95.69 3.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 111.961 -2.381 . . . . 0.0 107.076 -159.875 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.443 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -131.66 5.69 0.04 OUTLIER Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 120.94 3.681 . . . . 0.0 120.94 -164.179 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 65.0 Cg_exo -57.84 -41.32 70.7 Favored 'Trans proline' 0 C--N 1.353 0.789 0 CA-C-N 123.607 2.324 . . . . 0.0 115.848 175.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.407 ' HE1' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -70.34 164.01 57.43 Favored Pre-proline 0 CA--C 1.534 0.365 0 C-N-CA 126.076 1.751 . . . . 0.0 114.446 -167.283 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -84.2 -170.64 0.87 Allowed 'Trans proline' 0 CA--C 1.546 1.106 0 C-N-CA 122.732 2.288 . . . . 0.0 110.774 164.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 mp -53.64 -18.32 2.88 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.423 1.489 . . . . 0.0 114.094 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.06 -21.51 66.22 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.605 1.962 . . . . 0.0 114.942 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -66.65 135.76 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 120.567 1.53 . . . . 0.0 111.133 170.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -139.19 178.8 6.92 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.028 1.331 . . . . 0.0 109.45 176.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 pm0 -57.7 -22.53 46.84 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.794 -1.191 . . . . 0.0 113.865 174.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -32.08 71.69 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 120.135 1.334 . . . . 0.0 113.858 171.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -85.43 -38.5 18.6 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 125.721 1.608 . . . . 0.0 107.824 -176.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.446 ' CD1' HD11 ' A' ' 63' ' ' ILE . 78.6 mt -62.8 -39.03 92.98 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.894 166.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -59.54 -38.31 80.71 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 119.599 -1.938 . . . . 0.0 112.119 174.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -59.7 -42.75 93.71 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 172.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.6 mt -83.56 -44.94 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 C-N-CA 124.597 1.159 . . . . 0.0 113.877 -177.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.426 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 47.7 m-85 -94.34 -26.91 16.36 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 127.873 2.469 . . . . 0.0 113.316 -169.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -45.82 -36.74 6.77 Favored Glycine 0 CA--C 1.543 1.784 0 CA-C-O 117.596 -1.669 . . . . 0.0 115.762 173.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.04 -23.49 77.53 Favored 'Trans proline' 0 CA--C 1.545 1.055 0 CA-C-N 121.384 2.592 . . . . 0.0 114.766 174.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.426 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.4 m-30 -78.01 -37.73 46.45 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.904 0.882 . . . . 0.0 111.39 -176.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.49 -80.51 0.27 Allowed Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.332 1.444 . . . . 0.0 111.573 -173.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.93 157.44 28.89 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.293 2.662 . . . . 0.0 113.652 171.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.7 ptm 173.98 60.95 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 130.742 3.617 . . . . 0.0 107.786 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -67.57 -29.2 68.51 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 128.385 2.674 . . . . 0.0 114.353 -168.422 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.57 160.06 42.21 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.998 0.904 . . . . 0.0 111.811 170.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.9 t -153.34 115.2 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 126.709 2.003 . . . . 0.0 107.239 -166.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.21 109.37 14.4 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 -176.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.519 ' C ' HD12 ' A' ' 64' ' ' LEU . 42.9 mt -122.64 124.5 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-O 122.408 1.099 . . . . 0.0 110.832 -168.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.519 HD12 ' C ' ' A' ' 63' ' ' ILE . 3.7 mp -128.5 -176.9 3.96 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 129.292 3.037 . . . . 0.0 108.995 -170.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -51.63 39.21 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.328 1 C-N-CA 132.298 4.239 . . . . 0.0 118.862 -174.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.6 9.1 7.9 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 127.039 2.257 . . . . 0.0 113.257 -169.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -133.77 146.96 51.21 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.126 0.963 . . . . 0.0 111.756 -170.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -132.13 133.51 44.36 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 127.745 2.418 . . . . 0.0 108.427 173.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.434 ' HE1' HD13 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -123.74 93.59 3.98 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 171.071 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.433 ' HB ' HD23 ' A' ' 34' ' ' LEU . 1.9 t -86.39 162.58 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.117 -1.401 . . . . 0.0 108.033 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -151.68 150.53 30.34 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.33 -0.856 . . . . 0.0 110.443 -168.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.733 ' CE2' HD21 ' A' ' 34' ' ' LEU . 24.2 m-85 -127.09 160.84 29.96 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -98.22 9.94 41.78 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.796 1.638 . . . . 0.0 111.137 167.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -142.42 108.24 5.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.154 2.182 . . . . 0.0 109.225 -169.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.77 -26.94 67.61 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.558 -0.714 . . . . 0.0 112.708 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -70.71 -21.79 62.52 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.21 -0.931 . . . . 0.0 112.726 172.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.405 ' HA ' ' HE2' ' A' ' 80' ' ' LYS . 8.9 t -72.24 -40.54 67.64 Favored 'General case' 0 CA--C 1.511 -0.531 0 O-C-N 120.749 -1.219 . . . . 0.0 110.409 169.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.05 87.89 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.998 0.817 . . . . 0.0 111.339 170.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.57 -53.48 37.63 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 119.412 1.005 . . . . 0.0 113.042 174.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.405 ' HE2' ' HA ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -70.03 -38.4 75.88 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 118.392 -0.813 . . . . 0.0 112.932 178.288 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.53 -44.93 81.3 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.076 0.853 . . . . 0.0 109.317 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.423 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 14.7 mt -55.07 -58.5 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.191 0.996 . . . . 0.0 109.921 173.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -63.81 -23.46 67.37 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.78 -36.78 23.33 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.196 1.799 . . . . 0.0 113.105 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.714 HG13 HG21 ' A' ' 97' ' ' VAL . 7.1 p -150.06 -11.58 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 -167.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 7.5 t60 -63.84 116.77 6.1 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 119.207 -2.183 . . . . 0.0 111.114 168.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.05 3.17 55.87 Favored Glycine 0 N--CA 1.471 0.974 0 C-N-CA 123.827 0.727 . . . . 0.0 112.266 172.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -97.96 132.81 43.21 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 126.585 1.954 . . . . 0.0 108.505 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.2 p -78.87 98.75 6.47 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 124.619 1.168 . . . . 0.0 113.291 -169.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.544 ' HB2' HD21 ' A' ' 95' ' ' LEU . 3.5 t80 -97.99 143.7 28.29 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.504 -0.747 . . . . 0.0 110.665 169.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.01 -60.51 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 128.658 2.783 . . . . 0.0 117.087 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -150.83 -9.98 0.24 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.715 2.006 . . . . 0.0 113.988 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -158.19 163.38 24.66 Favored Pre-proline 0 N--CA 1.474 0.728 0 C-N-CA 124.522 1.129 . . . . 0.0 111.606 -171.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.8 150.37 30.57 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 CA-C-O 123.025 1.177 . . . . 0.0 114.42 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 90' ' ' PHE . 1.9 mm? -69.82 153.88 42.72 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 113.695 -1.593 . . . . 0.0 112.331 170.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -125.71 50.35 1.84 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 125.552 2.596 . . . . 0.0 109.666 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.714 HG21 HG13 ' A' ' 85' ' ' VAL . 55.1 t -68.19 110.54 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 128.561 2.744 . . . . 0.0 107.621 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.572 HG13 ' H ' ' A' ' 99' ' ' TYR 0.266 0.9 OUTLIER -158.94 -131.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 121.287 1.858 . . . . 0.0 115.389 -163.652 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.572 ' H ' HG13 ' A' ' 98' ' ' VAL . 17.5 m-30 -107.59 51.37 0.74 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.28 2.232 . . . . 0.0 107.766 167.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.594 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 13.5 m -52.76 151.26 4.57 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.727 1.611 . . . . 0.0 114.419 -169.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -149.69 148.62 29.49 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.647 0.779 . . . . 0.0 112.055 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -148.76 -175.33 0.46 Allowed Pre-proline 0 CA--C 1.558 1.27 0 C-N-CA 129.517 3.127 . . . . 0.0 107.918 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -51.97 -25.27 21.53 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 123.084 2.523 . . . . 0.0 116.4 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.355 1.862 . . . . 0.0 110.983 175.164 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.448 HD12 ' H ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -140.69 -174.26 3.92 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.2 1.4 . . . . 0.0 111.229 -178.493 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.448 ' H ' HD12 ' A' ' 29' ' ' LEU . 15.5 m -67.01 -18.14 65.24 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.275 1.83 . . . . 0.0 115.587 174.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.495 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 25.5 m-80 53.67 -6.44 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 129.107 2.963 . . . . 0.0 118.533 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.481 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 18.5 p -144.44 18.78 1.7 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 -166.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.623 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 28.9 mtt180 -126.0 126.68 44.69 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 116.782 2.141 . . . . 0.0 116.782 -165.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.731 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -105.02 107.62 18.7 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 121.065 -1.022 . . . . 0.0 110.818 -169.854 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.419 ' HB2' ' HB2' ' A' ' 100' ' ' SER 0.25 0.9 OUTLIER -97.18 93.78 6.74 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-O 126.03 2.824 . . . . 0.0 107.17 -170.614 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.326 21.5 t -120.49 102.77 12.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 110.658 -2.974 . . . . 0.0 106.853 -160.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.486 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 14.2 ptt-85 -134.49 -9.36 0.03 OUTLIER Pre-proline 0 CA--C 1.55 0.951 0 N-CA-C 120.131 3.382 . . . . 0.0 120.131 -165.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 7.4 Cg_exo -49.42 -33.99 31.39 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 124.033 3.155 . . . . 0.0 117.946 177.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.07 160.4 80.52 Favored Pre-proline 0 C--O 1.237 0.435 0 C-N-CA 125.771 1.628 . . . . 0.0 113.615 -170.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.97 -173.17 1.77 Allowed 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.013 1.808 . . . . 0.0 110.894 165.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.2 mp -56.44 -13.54 2.36 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.186 1.394 . . . . 0.0 114.595 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -68.12 -10.14 51.77 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.722 2.009 . . . . 0.0 115.442 177.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.78 148.7 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-N 120.331 1.423 . . . . 0.0 112.225 172.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -165.56 -169.1 1.48 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.287 1.435 . . . . 0.0 110.643 168.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.82 -20.98 17.24 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -175.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 t -71.82 -34.25 69.16 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.394 1.452 . . . . 0.0 113.104 172.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -85.92 -38.53 17.92 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 125.837 1.655 . . . . 0.0 107.888 -174.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.6 mt -63.44 -37.34 86.92 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.179 165.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.59 -44.42 85.36 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 119.862 -1.774 . . . . 0.0 112.623 171.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -60.84 -41.45 95.82 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.8 mt -83.3 -37.64 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.177 0.991 . . . . 0.0 112.912 -174.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.441 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 34.0 m-85 -101.97 -18.92 15.44 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.152 1.781 . . . . 0.0 113.438 -169.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -47.02 -34.49 7.57 Favored Glycine 0 CA--C 1.542 1.737 0 CA-C-O 117.685 -1.619 . . . . 0.0 115.555 169.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -63.58 -24.7 69.8 Favored 'Trans proline' 0 C--N 1.357 0.979 0 CA-C-N 121.546 2.673 . . . . 0.0 114.491 173.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.407 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.7 m-30 -87.93 -47.72 8.34 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.674 0.79 . . . . 0.0 111.081 -172.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.62 -74.94 0.37 Allowed Glycine 0 CA--C 1.538 1.498 0 N-CA-C 116.359 1.303 . . . . 0.0 116.359 169.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -81.74 33.66 0.53 Allowed 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 124.271 3.314 . . . . 0.0 116.503 -166.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.0 ptp -44.57 106.52 0.07 Allowed 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 120.11 1.323 . . . . 0.0 110.657 168.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -103.72 -44.09 5.17 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 125.346 1.458 . . . . 0.0 113.354 -167.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.03 157.15 43.8 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.202 170.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.433 HG12 HD11 ' A' ' 63' ' ' ILE . 2.9 t -154.2 65.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.184 -164.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -72.59 109.95 6.61 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.701 0.8 . . . . 0.0 109.435 -175.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.531 ' C ' HD12 ' A' ' 64' ' ' LEU . 7.1 mm -106.75 124.09 62.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.217 1.007 . . . . 0.0 109.647 -177.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.57 HD13 ' CE2' ' A' ' 69' ' ' PHE . 4.9 mp -133.82 95.5 3.47 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 124.507 1.123 . . . . 0.0 110.315 -177.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 53.48 -104.27 0.2 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.465 0.706 . . . . 0.0 110.616 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.14 -7.12 83.8 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 126.451 1.977 . . . . 0.0 116.183 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -109.68 155.14 21.89 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.278 1.539 . . . . 0.0 112.594 -169.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.39 130.72 28.83 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 126.56 1.944 . . . . 0.0 108.947 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.57 ' CE2' HD13 ' A' ' 64' ' ' LEU . 2.9 m-85 -121.55 85.44 2.41 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 167.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.461 ' HB ' HD23 ' A' ' 34' ' ' LEU . 2.1 t -70.74 160.94 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 113.833 -1.53 . . . . 0.0 108.096 172.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -150.79 151.13 31.87 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 124.102 0.961 . . . . 0.0 108.821 -172.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.731 ' CE2' HD21 ' A' ' 34' ' ' LEU . 24.0 m-85 -129.27 163.26 26.03 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.522 1.129 . . . . 0.0 112.439 174.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -91.72 -3.23 56.49 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 121.763 0.792 . . . . 0.0 110.58 165.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -121.38 101.86 7.9 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 128.101 2.56 . . . . 0.0 109.097 -169.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.4 -20.81 63.48 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 121.461 -0.774 . . . . 0.0 112.647 173.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -70.29 -24.72 63.08 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.998 -1.064 . . . . 0.0 112.337 169.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.526 ' HA ' ' CE ' ' A' ' 80' ' ' LYS . 9.1 t -77.61 -31.58 53.02 Favored 'General case' 0 CA--C 1.502 -0.871 0 O-C-N 120.876 -1.14 . . . . 0.0 111.702 169.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.481 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -62.38 -49.95 73.48 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 119.02 0.827 . . . . 0.0 109.779 169.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.68 -50.39 54.98 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.705 1.202 . . . . 0.0 113.073 171.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.526 ' CE ' ' HA ' ' A' ' 77' ' ' SER . 1.5 ptpt -69.94 -40.33 75.54 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.464 -0.773 . . . . 0.0 112.915 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.26 -43.49 92.46 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.907 0.883 . . . . 0.0 109.353 176.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.452 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 15.9 mt -55.75 -57.37 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 121.298 -0.876 . . . . 0.0 110.534 173.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -61.78 -24.51 66.89 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.84 -37.75 18.86 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.348 1.459 . . . . 0.0 113.01 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.638 HG13 HG21 ' A' ' 97' ' ' VAL . 13.8 p -152.48 -3.6 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -166.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.452 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 11.5 t60 -66.49 121.14 14.65 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 119.123 -2.235 . . . . 0.0 112.186 169.11 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.46 -2.74 83.31 Favored Glycine 0 N--CA 1.472 1.09 0 C-N-CA 123.859 0.742 . . . . 0.0 112.304 169.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -75.97 139.89 41.77 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 127.099 2.16 . . . . 0.0 107.936 169.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.9 p -86.16 89.42 7.83 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.956 0.903 . . . . 0.0 112.405 -171.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.552 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.9 t80 -80.85 140.09 35.59 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.587 -0.696 . . . . 0.0 111.065 174.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.23 -60.56 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 128.332 2.653 . . . . 0.0 115.378 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -155.1 -4.15 0.14 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.858 2.063 . . . . 0.0 114.252 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -159.13 162.61 25.83 Favored Pre-proline 0 N--CA 1.478 0.958 0 CA-C-N 120.192 1.36 . . . . 0.0 111.946 -171.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -84.5 146.89 11.0 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 N-CA-C 116.113 1.543 . . . . 0.0 116.113 -171.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' ' 90' ' ' PHE . 2.3 mm? -64.41 160.29 19.44 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.068 2.147 . . . . 0.0 113.278 169.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -129.98 52.08 2.03 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 124.764 2.221 . . . . 0.0 109.757 169.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.638 HG21 HG13 ' A' ' 85' ' ' VAL . 54.3 t -62.46 105.7 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 127.552 2.341 . . . . 0.0 107.519 175.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -158.89 -137.25 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-N 121.059 1.754 . . . . 0.0 113.422 -163.581 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.495 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 15.7 m-30 -106.71 53.22 0.7 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.616 1.966 . . . . 0.0 107.945 167.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.623 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 23.1 t -31.68 111.05 0.08 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.412 1.485 . . . . 0.0 114.497 -169.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 37.02 0.05 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.553 2.341 . . . . 0.0 116.491 -168.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.05 146.97 62.07 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 125.214 1.405 . . . . 0.0 112.658 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -80.78 -177.1 3.52 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 124.413 3.409 . . . . 0.0 112.337 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.148 0 C-N-CA 128.46 2.704 . . . . 0.0 114.763 178.404 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.523 ' CD ' ' H ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.764 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.523 ' H ' ' CD ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -142.54 -56.9 0.44 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 127.65 2.38 . . . . 0.0 108.407 -168.865 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 m -172.67 -17.09 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.598 1.959 . . . . 0.0 113.797 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.494 ' HA ' ' CD1' ' A' ' 99' ' ' TYR 0.339 6.8 p30 47.44 -7.02 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 119.876 3.288 . . . . 0.0 119.876 -176.714 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.45 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 7.5 p -144.07 20.01 1.77 Allowed 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 -169.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.624 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 13.3 mtt180 -125.23 130.57 52.35 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 117.597 2.443 . . . . 0.0 117.597 -165.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.696 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -109.74 115.42 29.83 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.103 -0.998 . . . . 0.0 110.22 -169.298 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -103.25 97.32 7.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 124.764 2.221 . . . . 0.0 105.525 -169.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.277 14.8 t -126.17 92.02 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 112.279 -2.237 . . . . 0.0 107.479 -160.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.525 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -128.17 -2.99 0.05 OUTLIER Pre-proline 0 CA--C 1.55 0.974 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 -165.848 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.525 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 73.4 Cg_exo -59.95 -22.01 67.07 Favored 'Trans proline' 0 C--N 1.354 0.83 0 CA-C-N 123.435 2.262 . . . . 0.0 117.82 177.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -79.19 164.21 55.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 C-N-CA 124.525 1.13 . . . . 0.0 112.88 -168.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -83.7 -179.25 4.03 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 121.418 1.412 . . . . 0.0 110.958 164.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 mp -51.75 -20.66 2.25 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.815 1.646 . . . . 0.0 113.94 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.52 -22.75 65.42 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.002 2.121 . . . . 0.0 115.184 176.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.68 144.48 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 CA-C-N 121.345 1.884 . . . . 0.0 111.59 175.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -150.35 172.28 15.64 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 124.574 1.15 . . . . 0.0 110.175 -173.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -47.3 -35.0 7.33 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.61 1.164 . . . . 0.0 112.515 169.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -66.82 -32.79 74.29 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 120.172 1.351 . . . . 0.0 114.594 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -84.39 -37.01 22.03 Favored 'General case' 0 C--N 1.34 0.192 0 O-C-N 120.149 -1.594 . . . . 0.0 109.388 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.6 mt -63.14 -37.73 88.38 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.855 -1.066 . . . . 0.0 108.899 167.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -62.24 -42.34 99.24 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 120.322 -1.486 . . . . 0.0 112.14 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -58.34 -41.52 84.81 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 172.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.9 mt -86.84 -39.15 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.239 1.016 . . . . 0.0 112.874 -172.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.48 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 29.9 m-85 -101.1 -22.43 14.71 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.617 1.967 . . . . 0.0 113.476 -171.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -47.05 -36.58 9.24 Favored Glycine 0 CA--C 1.539 1.593 0 CA-C-O 117.882 -1.51 . . . . 0.0 115.617 169.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.45 -25.22 79.53 Favored 'Trans proline' 0 C--N 1.356 0.934 0 CA-C-N 121.269 2.535 . . . . 0.0 114.456 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.9 m-30 -81.17 -42.12 21.33 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.937 0.895 . . . . 0.0 111.349 -177.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.63 -80.55 0.27 Allowed Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.536 1.541 . . . . 0.0 113.458 174.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_exo -67.86 41.79 0.23 Allowed 'Trans proline' 0 CA--C 1.546 1.09 0 C-N-CA 125.056 3.838 . . . . 0.0 118.458 -174.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.8 ptm -62.62 67.23 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 127.116 2.166 . . . . 0.0 113.035 168.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.41 -34.95 76.93 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 129.463 3.105 . . . . 0.0 115.145 -167.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -147.26 152.74 38.81 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 123.901 0.88 . . . . 0.0 112.331 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 t -152.76 88.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 114.437 -1.256 . . . . 0.0 110.749 -163.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -69.79 140.35 53.35 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 166.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.571 ' C ' HD22 ' A' ' 64' ' ' LEU . 10.1 mm -130.54 127.84 62.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.569 1.548 . . . . 0.0 109.6 175.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.571 HD22 ' C ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER -140.0 171.36 14.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 127.217 2.207 . . . . 0.0 109.88 -171.162 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.05 97.83 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.483 1.513 . . . . 0.0 113.552 167.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.86 -7.61 5.25 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 115.175 0.83 . . . . 0.0 115.175 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -122.69 148.58 45.13 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 122.861 1.315 . . . . 0.0 111.941 -168.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.57 137.04 45.31 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 127.384 2.273 . . . . 0.0 107.513 172.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -125.99 86.79 2.58 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 173.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.547 ' HB ' HD23 ' A' ' 34' ' ' LEU . 1.8 t -77.9 159.19 4.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 113.225 -1.807 . . . . 0.0 107.486 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -153.3 147.77 26.02 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -171.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.696 ' CE2' HD21 ' A' ' 34' ' ' LEU . 11.1 m-85 -127.45 164.8 21.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.984 0.897 . . . . 0.0 112.628 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -92.42 -6.87 49.1 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.893 0.877 . . . . 0.0 112.718 171.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -126.74 128.47 46.7 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.079 1.352 . . . . 0.0 111.826 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.94 -24.29 65.94 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.423 0.689 . . . . 0.0 112.293 169.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -65.61 -28.36 69.06 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.092 0.957 . . . . 0.0 112.678 172.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.55 ' HA ' ' CE ' ' A' ' 80' ' ' LYS . 10.5 t -73.3 -35.47 66.12 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 119.066 0.848 . . . . 0.0 111.732 169.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.45 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -63.37 -48.66 77.0 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 119.773 1.169 . . . . 0.0 110.869 171.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.76 -51.91 35.63 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.723 1.147 . . . . 0.0 112.926 172.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.55 ' CE ' ' HA ' ' A' ' 77' ' ' SER . 1.2 ptpt -69.31 -42.21 75.72 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.534 -0.729 . . . . 0.0 112.613 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.32 -42.46 91.46 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.101 0.96 . . . . 0.0 109.864 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.478 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 17.4 mt -55.63 -58.52 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.067 0.947 . . . . 0.0 109.901 174.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -63.0 -24.56 67.98 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -81.47 -38.49 26.28 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.18 1.392 . . . . 0.0 113.32 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.696 HG13 HG21 ' A' ' 97' ' ' VAL . 9.4 p -151.6 -6.41 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 116.334 1.976 . . . . 0.0 116.334 -167.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.478 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 9.4 t60 -66.23 122.52 17.66 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 119.077 -2.264 . . . . 0.0 112.227 169.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.54 -4.68 73.25 Favored Glycine 0 N--CA 1.472 1.099 0 C-N-CA 123.846 0.736 . . . . 0.0 111.979 169.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -78.69 140.97 38.28 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 127.074 2.15 . . . . 0.0 108.152 171.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 65.1 p -89.73 104.59 17.14 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.576 1.15 . . . . 0.0 112.542 -170.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.576 ' HB2' HD21 ' A' ' 95' ' ' LEU . 2.6 t80 -102.26 145.17 29.82 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.63 -0.669 . . . . 0.0 111.006 172.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 53.04 -58.51 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 128.724 2.81 . . . . 0.0 117.995 176.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -144.02 -13.05 0.64 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.624 1.569 . . . . 0.0 114.316 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -165.08 168.69 8.27 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 124.42 1.088 . . . . 0.0 112.069 -168.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -76.37 148.66 30.39 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 N-CA-C 116.417 1.661 . . . . 0.0 116.417 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.576 HD21 ' HB2' ' A' ' 90' ' ' PHE . 1.9 mm? -66.9 153.68 42.89 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 127.011 2.124 . . . . 0.0 112.311 169.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -129.88 50.06 2.21 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 125.268 2.461 . . . . 0.0 109.434 -176.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.696 HG21 HG13 ' A' ' 85' ' ' VAL . 55.6 t -68.1 104.41 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 128.181 2.592 . . . . 0.0 107.366 -178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 99' ' ' TYR . 1.5 p -159.37 -135.47 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 121.281 1.855 . . . . 0.0 114.01 -162.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.494 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 10.7 m-30 -107.92 68.51 0.71 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 103.635 -2.728 . . . . 0.0 103.635 164.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.624 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 13.6 t -34.73 130.52 0.39 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -167.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -64.0 20.13 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 129.294 3.038 . . . . 0.0 116.081 -173.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.6 tp -149.6 120.65 4.07 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 127.717 2.407 . . . . 0.0 107.66 174.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -85.51 17.4 1.77 Allowed 'Trans proline' 0 CA--C 1.556 1.583 0 C-N-CA 124.472 3.448 . . . . 0.0 113.802 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.167 0 C-N-CA 126.323 1.849 . . . . 0.0 111.644 -175.329 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 120.806 0.336 . . . . 0.0 111.843 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.43 176.48 10.55 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.605 1.962 . . . . 0.0 109.509 -177.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.3 m -73.68 -4.72 36.09 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.916 -1.115 . . . . 0.0 113.718 169.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.405 ' HA ' ' CG ' ' A' ' 99' ' ' TYR . 2.3 m-20 45.66 -2.37 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.21 1 C-N-CA 132.712 4.405 . . . . 0.0 120.469 174.549 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.7 p -144.66 27.26 1.36 Allowed 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.362 1.892 . . . . 0.0 114.867 -166.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.571 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 35.0 mtt180 -133.29 132.15 41.02 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 -165.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.599 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -108.61 106.21 16.17 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 113.892 -1.504 . . . . 0.0 109.935 -169.854 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.51 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 1.1 t80 -99.15 96.57 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 125.524 2.583 . . . . 0.0 106.637 -169.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.447 HG21 ' HZ ' ' A' ' 52' ' ' PHE 0.306 24.3 t -122.3 96.43 4.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 111.332 -2.667 . . . . 0.0 108.041 -159.299 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.7 ptt-85 -132.72 14.53 0.05 OUTLIER Pre-proline 0 CA--C 1.555 1.166 0 N-CA-C 119.766 3.247 . . . . 0.0 119.766 -166.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HD2' ' CE1' ' A' ' 39' ' ' PHE . 61.2 Cg_endo -69.4 -36.34 11.94 Favored 'Trans proline' 0 C--N 1.355 0.889 0 CA-C-N 123.574 2.312 . . . . 0.0 113.966 177.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.411 ' CE1' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -71.22 152.38 94.47 Favored Pre-proline 0 C--N 1.327 -0.384 0 C-N-CA 126.58 1.952 . . . . 0.0 112.156 -173.623 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.9 -157.08 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.127 0 C-N-CA 121.925 1.75 . . . . 0.0 110.014 164.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.522 ' H ' HD22 ' A' ' 41' ' ' LEU . 2.6 mm? -53.31 -12.7 0.44 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.59 1.556 . . . . 0.0 114.965 176.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.54 -31.4 70.5 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.315 1.846 . . . . 0.0 115.357 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.3 p -76.17 136.62 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 119.775 1.171 . . . . 0.0 111.973 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.0 172.61 12.44 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.258 1.423 . . . . 0.0 109.405 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -53.66 -29.67 39.59 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.92 0.888 . . . . 0.0 113.179 174.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -67.47 -33.86 75.99 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 172.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -82.67 -38.52 23.33 Favored 'General case' 0 C--N 1.334 -0.106 0 O-C-N 120.235 -1.54 . . . . 0.0 108.288 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.1 mt -64.62 -35.62 81.59 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.022 0.929 . . . . 0.0 109.806 168.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -59.79 -45.43 92.33 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 120.19 -1.569 . . . . 0.0 112.169 169.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -62.01 -35.34 78.25 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.3 mt -92.68 -31.28 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.326 1.05 . . . . 0.0 112.627 -172.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.447 ' HZ ' HG21 ' A' ' 36' ' ' VAL . 19.7 m-85 -108.41 -18.22 13.8 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.448 1.499 . . . . 0.0 113.375 -172.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.85 -33.51 28.2 Favored Glycine 0 CA--C 1.545 1.928 0 CA-C-O 117.325 -1.819 . . . . 0.0 114.452 167.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.76 -28.36 81.87 Favored 'Trans proline' 0 C--N 1.356 0.968 0 CA-C-N 121.781 2.79 . . . . 0.0 114.208 171.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -82.12 -51.83 7.6 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.355 1.062 . . . . 0.0 109.848 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.85 -75.11 0.4 Allowed Glycine 0 CA--C 1.536 1.368 0 N-CA-C 117.325 1.69 . . . . 0.0 117.325 167.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -78.19 32.29 0.45 Allowed 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 124.436 3.424 . . . . 0.0 116.024 -166.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -46.88 99.93 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.439 1.496 . . . . 0.0 111.412 168.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.424 ' HE2' ' C ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -109.79 -24.72 10.73 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 126.39 1.876 . . . . 0.0 112.469 -167.667 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -139.33 154.55 47.91 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.31 0.576 . . . . 0.0 109.848 163.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t -151.47 66.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 125.528 1.531 . . . . 0.0 107.497 -168.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.1 mtpp -65.82 120.73 13.56 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.601 ' C ' HD12 ' A' ' 64' ' ' LEU . 9.8 mm -114.1 124.67 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.214 1.006 . . . . 0.0 110.275 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.601 HD12 ' C ' ' A' ' 63' ' ' ILE . 3.6 mp -133.42 -179.66 5.65 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.412 2.285 . . . . 0.0 110.267 -178.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -54.35 44.49 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.348 1 C-N-CA 131.859 4.064 . . . . 0.0 118.233 -171.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.04 14.93 10.39 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 126.175 1.845 . . . . 0.0 112.551 -169.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -135.46 144.86 46.65 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.347 1.073 . . . . 0.0 111.376 -177.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.69 137.54 53.28 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 127.561 2.344 . . . . 0.0 107.801 172.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.585 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -130.67 82.75 2.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 175.384 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.538 ' HB ' HD23 ' A' ' 34' ' ' LEU . 1.7 t -73.31 159.51 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 113.782 -1.554 . . . . 0.0 107.974 177.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -153.19 147.64 25.98 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 121.14 -0.975 . . . . 0.0 110.135 -170.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.599 ' CE2' HD21 ' A' ' 34' ' ' LEU . 14.8 m-85 -130.64 162.3 29.68 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.283 1.033 . . . . 0.0 113.603 177.053 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.97 -8.83 59.85 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -175.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.55 179.58 7.7 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.251 1.82 . . . . 0.0 110.913 172.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.25 -2.18 34.48 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -174.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -76.09 -40.09 53.84 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 120.556 -1.34 . . . . 0.0 111.27 176.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 p -58.51 -44.03 89.35 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 126.221 1.809 . . . . 0.0 111.666 169.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.06 -46.38 89.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 117.997 -1.001 . . . . 0.0 111.363 171.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.26 -49.34 67.09 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.835 1.198 . . . . 0.0 112.459 176.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -67.95 -41.29 82.73 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 174.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.45 -44.41 89.22 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 119.24 0.927 . . . . 0.0 109.54 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.422 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 17.1 mt -53.23 -59.28 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.722 1.209 . . . . 0.0 109.948 172.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -61.05 -27.6 68.46 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -177.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.9 -38.27 28.28 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.223 1.409 . . . . 0.0 113.76 -178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.75 HG13 HG21 ' A' ' 97' ' ' VAL . 7.9 p -147.35 -4.81 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 -167.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 10.6 t60 -66.32 124.54 22.99 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 119.281 -2.137 . . . . 0.0 112.418 169.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.92 -2.25 87.77 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 125.12 1.343 . . . . 0.0 112.321 170.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.403 ' HE2' ' HA ' ' A' ' 85' ' ' VAL . 1.3 mppt? -77.01 143.27 39.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 126.419 1.888 . . . . 0.0 107.558 168.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.3 p -92.49 93.91 8.81 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 124.759 1.224 . . . . 0.0 112.141 -169.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.522 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.3 t80 -87.37 141.75 28.4 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 122.077 -0.39 . . . . 0.0 111.32 174.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.22 -62.55 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 128.31 2.644 . . . . 0.0 115.707 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -152.77 -5.18 0.21 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.131 1.772 . . . . 0.0 113.992 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -159.6 168.71 11.65 Favored Pre-proline 0 CA--C 1.552 1.051 0 CA-C-N 119.906 1.23 . . . . 0.0 112.148 -174.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -82.09 160.27 18.05 Favored 'Trans proline' 0 C--N 1.352 0.746 0 N-CA-C 116.784 1.801 . . . . 0.0 116.784 -171.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.608 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.1 mm? -82.82 153.47 25.17 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.024 2.129 . . . . 0.0 113.03 170.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -120.29 51.42 1.21 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 124.583 2.135 . . . . 0.0 109.816 170.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.75 HG21 HG13 ' A' ' 85' ' ' VAL . 62.0 t -62.7 104.01 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.923 2.089 . . . . 0.0 107.084 175.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.658 HG13 ' H ' ' A' ' 99' ' ' TYR 0.263 0.8 OUTLIER -158.26 -129.9 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 121.007 1.731 . . . . 0.0 112.975 -164.214 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.658 ' H ' HG13 ' A' ' 98' ' ' VAL . 15.8 m-30 -105.84 11.34 32.0 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.067 2.147 . . . . 0.0 111.445 168.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.571 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.34 21.3 t 35.35 -13.21 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.118 2 C-N-CA 133.202 4.601 . . . . 0.0 122.184 -169.62 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . 0.338 0.0 OUTLIER 52.58 -11.49 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 129.256 3.023 . . . . 0.0 118.356 -169.644 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.3 tp -67.03 123.55 86.53 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 124.938 1.295 . . . . 0.0 109.413 168.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -87.34 -7.43 6.82 Favored 'Trans proline' 0 CA--C 1.548 1.19 0 C-N-CA 123.472 2.781 . . . . 0.0 114.911 -171.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.09 0 C-N-CA 125.97 1.708 . . . . 0.0 111.804 -172.225 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.484 1.272 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.35 172.64 16.15 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.287 1.435 . . . . 0.0 109.651 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.3 m -52.02 -18.49 1.42 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 116.91 2.189 . . . . 0.0 116.91 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.54 ' HA ' ' CD1' ' A' ' 99' ' ' TYR 0.316 2.3 p30 52.37 -4.33 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 128.256 2.622 . . . . 0.0 117.839 -173.826 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.3 p -141.38 24.1 2.12 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 118.039 2.607 . . . . 0.0 118.039 -168.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -134.86 133.51 39.78 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 117.1 2.259 . . . . 0.0 117.1 -169.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.811 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -108.19 106.1 16.13 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.53 -170.87 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.465 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 3.5 t80 -93.77 99.99 12.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 125.07 2.367 . . . . 0.0 106.788 -173.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.303 24.8 t -128.03 83.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 111.807 -2.452 . . . . 0.0 107.563 -160.017 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.93 -6.08 0.08 OUTLIER Pre-proline 0 CA--C 1.553 1.077 0 N-CA-C 118.742 2.867 . . . . 0.0 118.742 -172.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HG2' HD13 ' A' ' 95' ' ' LEU . 1.1 Cg_exo -50.43 -26.03 15.35 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.855 3.037 . . . . 0.0 118.709 176.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.44 162.88 52.2 Favored Pre-proline 0 C--O 1.237 0.409 0 C-N-CA 125.1 1.36 . . . . 0.0 114.472 -169.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -84.27 -177.3 2.93 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 121.947 1.765 . . . . 0.0 110.173 163.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mp -57.93 -12.5 3.28 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.325 1.45 . . . . 0.0 114.331 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.36 -24.81 67.56 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.24 1.816 . . . . 0.0 114.024 171.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.7 151.52 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 119.98 1.263 . . . . 0.0 109.998 169.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.69 179.27 1.73 Allowed 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 125.441 1.496 . . . . 0.0 108.913 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -51.27 -29.51 14.92 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 124.098 0.959 . . . . 0.0 112.96 -174.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.6 p -68.77 -34.25 75.25 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.258 1.39 . . . . 0.0 114.737 173.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -77.02 -43.13 35.81 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 122.686 1.231 . . . . 0.0 108.486 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.472 HD13 HD11 ' A' ' 63' ' ' ILE . 4.9 mt -63.5 -34.87 78.73 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.805 173.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -63.09 -46.34 87.85 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 119.822 -1.799 . . . . 0.0 112.319 171.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -57.16 -37.24 71.78 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.4 mt -90.29 -39.46 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 123.791 0.836 . . . . 0.0 112.627 -174.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.433 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 24.5 m-85 -105.49 -21.67 13.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.78 1.632 . . . . 0.0 114.034 -169.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.01 -34.76 24.22 Favored Glycine 0 CA--C 1.541 1.716 0 CA-C-O 117.704 -1.609 . . . . 0.0 114.648 169.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.06 -26.61 82.91 Favored 'Trans proline' 0 C--N 1.359 1.097 0 CA-C-N 121.204 2.502 . . . . 0.0 114.592 170.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.0 OUTLIER -82.01 -50.36 9.2 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.039 0.836 . . . . 0.0 109.565 -179.373 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.12 -72.2 0.49 Allowed Glycine 0 CA--C 1.537 1.434 0 N-CA-C 119.003 2.361 . . . . 0.0 119.003 166.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -68.63 -35.73 16.21 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.759 2.306 . . . . 0.0 117.038 -165.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.2 mtp 31.65 51.36 0.17 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 126.73 2.012 . . . . 0.0 114.594 -176.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.64 -29.32 37.73 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 126.267 1.827 . . . . 0.0 112.845 -169.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -155.72 157.07 35.99 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 124.024 0.93 . . . . 0.0 111.607 169.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.505 HG13 HG22 ' A' ' 70' ' ' VAL . 2.9 t -151.52 68.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 -168.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -68.01 115.85 7.98 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -176.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.536 ' C ' HD12 ' A' ' 64' ' ' LEU . 44.5 mt -123.26 125.29 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.281 1.033 . . . . 0.0 110.804 -170.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.536 HD12 ' C ' ' A' ' 63' ' ' ILE . 4.0 mp -135.45 94.62 3.13 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 127.407 2.283 . . . . 0.0 109.339 -168.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 48.16 -101.66 0.08 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 125.256 1.422 . . . . 0.0 112.451 -174.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.68 -4.16 87.67 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 126.023 1.773 . . . . 0.0 115.584 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -117.89 151.92 36.43 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 118.986 1.393 . . . . 0.0 112.402 -168.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.28 139.22 45.56 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 126.585 1.954 . . . . 0.0 109.12 174.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.433 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -130.8 79.9 1.92 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 175.578 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.505 HG22 HG13 ' A' ' 61' ' ' VAL . 2.0 t -71.45 156.22 7.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 113.445 -1.707 . . . . 0.0 107.41 178.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -151.13 148.11 27.88 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -169.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.811 ' CE2' HD21 ' A' ' 34' ' ' LEU . 28.0 m-85 -126.62 157.89 37.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.882 170.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -84.77 -4.81 59.23 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.78 -0.575 . . . . 0.0 112.341 173.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.39 163.97 31.5 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.197 1.399 . . . . 0.0 112.611 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.5 -8.23 53.3 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -171.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -79.76 -40.06 29.61 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.364 1.438 . . . . 0.0 111.814 -178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.1 t -61.86 -36.53 81.51 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.425 0.557 . . . . 0.0 110.95 168.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.7 -49.58 67.98 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.598 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.79 -50.61 63.25 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.641 1.176 . . . . 0.0 112.155 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -68.18 -41.33 81.62 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 117.668 -1.158 . . . . 0.0 112.55 175.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.08 78.09 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.587 1.085 . . . . 0.0 109.833 177.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.431 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 13.9 mt -53.0 -60.2 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.618 1.167 . . . . 0.0 110.247 173.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -63.34 -25.07 68.13 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -79.33 -39.33 33.01 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.058 1.743 . . . . 0.0 112.824 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.682 HG13 HG21 ' A' ' 97' ' ' VAL . 10.7 p -150.65 -2.28 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 116.613 2.079 . . . . 0.0 116.613 -167.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.431 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 15.2 t60 -66.09 121.73 15.81 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 119.169 -2.207 . . . . 0.0 112.434 168.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.95 -3.98 83.03 Favored Glycine 0 N--CA 1.47 0.906 0 C-N-CA 124.061 0.839 . . . . 0.0 112.461 169.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -75.73 143.37 42.1 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 126.869 2.068 . . . . 0.0 106.982 168.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.411 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 42.5 t -91.38 120.89 32.63 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.239 0.543 . . . . 0.0 112.178 -177.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.595 ' HB2' HD21 ' A' ' 95' ' ' LEU . 4.4 t80 -112.73 142.47 45.31 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.237 170.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 58.21 -53.43 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 129.389 3.075 . . . . 0.0 115.247 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -157.29 -9.96 0.09 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.621 1.968 . . . . 0.0 114.346 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -159.46 161.73 26.71 Favored Pre-proline 0 CA--C 1.55 0.954 0 CA-C-N 120.148 1.34 . . . . 0.0 111.555 -169.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 89' ' ' SER . 58.7 Cg_endo -78.75 146.05 20.71 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 N-CA-C 117.002 1.885 . . . . 0.0 117.002 -172.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.617 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.6 mm? -66.26 152.35 45.1 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.939 2.096 . . . . 0.0 112.556 172.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -122.57 50.56 1.48 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 124.904 2.288 . . . . 0.0 109.565 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.682 HG21 HG13 ' A' ' 85' ' ' VAL . 59.2 t -67.49 99.47 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 127.974 2.51 . . . . 0.0 107.053 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.855 HG13 ' H ' ' A' ' 99' ' ' TYR 0.286 1.2 p -156.52 -115.76 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 120.692 1.587 . . . . 0.0 113.488 -163.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.855 ' H ' HG13 ' A' ' 98' ' ' VAL . 5.7 m-85 -117.0 13.96 14.94 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 128.556 2.742 . . . . 0.0 110.189 171.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.465 ' CB ' ' HB2' ' A' ' 35' ' ' PHE 0.312 18.1 t 39.74 84.59 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 130.105 3.362 . . . . 0.0 116.686 -170.379 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -54.26 95.7 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.981 2.113 . . . . 0.0 111.656 168.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -49.4 -45.46 77.1 Favored Pre-proline 0 CA--C 1.554 1.113 0 C-N-CA 125.181 1.392 . . . . 0.0 114.526 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -70.93 90.87 0.63 Allowed 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 122.783 2.322 . . . . 0.0 113.176 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 C-N-CA 129.376 3.07 . . . . 0.0 115.416 171.154 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 119.034 -0.507 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.9 -63.6 0.38 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 127.19 2.196 . . . . 0.0 113.849 169.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -165.9 -16.24 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 128.908 2.883 . . . . 0.0 112.013 175.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.467 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.6 OUTLIER 65.21 -12.77 0.13 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 128.498 2.719 . . . . 0.0 117.178 179.759 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 p -141.65 25.4 2.0 Allowed 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 117.779 2.511 . . . . 0.0 117.779 -164.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 77.6 mtt180 -126.71 126.16 43.03 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -168.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.688 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -106.61 103.18 12.57 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.56 -1.2 . . . . 0.0 109.356 -170.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.421 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 6.9 t80 -93.35 101.02 13.25 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 124.633 2.159 . . . . 0.0 107.465 -172.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.475 HG12 ' HE1' ' A' ' 39' ' ' PHE 0.254 49.2 t -130.51 91.69 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 112.01 -2.359 . . . . 0.0 109.156 -158.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -126.26 16.13 0.07 OUTLIER Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -169.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -69.85 -30.52 21.74 Favored 'Trans proline' 0 C--N 1.354 0.823 0 CA-C-N 122.574 1.955 . . . . 0.0 114.032 -176.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.475 ' HE1' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -83.57 162.38 53.46 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 125.677 1.591 . . . . 0.0 113.654 -168.327 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -77.78 -169.79 0.82 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 122.652 2.235 . . . . 0.0 111.01 165.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.748 ' H ' HD22 ' A' ' 41' ' ' LEU . 1.1 mm? -50.31 -23.35 2.25 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.288 1.835 . . . . 0.0 114.037 177.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.54 -16.09 63.76 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.873 1.669 . . . . 0.0 115.097 -175.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.7 p -68.96 139.47 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-N 120.889 1.677 . . . . 0.0 109.163 168.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -149.97 172.01 15.9 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.726 1.21 . . . . 0.0 108.722 -177.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.42 -31.76 55.94 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 118.705 -0.664 . . . . 0.0 112.065 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -60.32 -36.75 78.64 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 172.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -80.65 -41.27 24.1 Favored 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 125.443 1.497 . . . . 0.0 108.737 -176.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' CD1' HD11 ' A' ' 63' ' ' ILE . 7.6 mt -63.57 -35.85 81.85 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.174 170.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.78 -42.31 97.77 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 119.925 -1.735 . . . . 0.0 111.816 172.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -62.31 -39.74 94.0 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 174.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.1 mt -84.88 -36.4 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 123.658 0.783 . . . . 0.0 111.98 -173.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.427 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 19.9 m-85 -106.4 -21.71 13.01 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.52 1.528 . . . . 0.0 113.398 -170.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.73 -33.61 35.04 Favored Glycine 0 CA--C 1.544 1.857 0 CA-C-O 117.588 -1.673 . . . . 0.0 114.927 168.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.24 -26.62 83.04 Favored 'Trans proline' 0 C--N 1.358 1.038 0 CA-C-N 121.482 2.641 . . . . 0.0 114.203 170.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.8 m-30 -78.92 -44.73 22.03 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.609 0.763 . . . . 0.0 109.987 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.65 -80.21 0.34 Allowed Glycine 0 CA--C 1.528 0.882 0 CA-C-N 114.723 -1.126 . . . . 0.0 113.122 167.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -58.61 137.17 78.68 Favored 'Trans proline' 0 CA--C 1.548 1.209 0 C-N-CA 122.821 2.347 . . . . 0.0 111.849 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.4 mtp -153.24 53.82 0.75 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 127.955 2.502 . . . . 0.0 109.803 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -29.49 11.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 113.336 -1.757 . . . . 0.0 114.248 -174.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.49 158.32 37.02 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-O 122.18 0.99 . . . . 0.0 111.693 176.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.419 HG13 HG22 ' A' ' 70' ' ' VAL . 2.2 t -153.77 70.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 112.933 -1.94 . . . . 0.0 107.325 -167.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.86 117.73 11.81 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.49 HD11 ' CD1' ' A' ' 48' ' ' LEU . 77.9 mt -124.74 120.5 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.843 0.857 . . . . 0.0 109.756 -173.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.497 HD13 ' CE1' ' A' ' 69' ' ' PHE . 4.8 mp -127.99 96.74 4.57 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 126.933 2.093 . . . . 0.0 109.353 -167.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 52.21 -90.79 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.217 1.407 . . . . 0.0 112.362 -173.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.95 4.03 35.91 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 126.652 2.072 . . . . 0.0 115.918 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -115.96 150.99 36.28 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.135 1.468 . . . . 0.0 111.211 -172.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.21 139.51 49.72 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 126.043 1.737 . . . . 0.0 109.958 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.497 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -134.81 79.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 176.817 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.579 ' HB ' HD23 ' A' ' 34' ' ' LEU . 1.5 t -69.61 156.27 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 113.258 -1.792 . . . . 0.0 107.415 176.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -154.8 141.99 19.42 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.896 -1.149 . . . . 0.0 107.896 -168.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.688 ' CE2' HD21 ' A' ' 34' ' ' LEU . 15.3 m-85 -127.66 154.73 44.93 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 122.625 1.202 . . . . 0.0 114.033 -173.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -78.67 -11.14 59.96 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.444 1.898 . . . . 0.0 114.187 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.99 173.81 13.42 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.857 2.063 . . . . 0.0 111.172 175.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.66 8.65 44.28 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -171.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -93.37 -42.01 9.52 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.67 1.188 . . . . 0.0 112.702 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.5 t -60.86 -36.13 78.38 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 167.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.12 -51.38 54.76 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.805 174.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.06 -48.21 67.84 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.446 1.021 . . . . 0.0 112.233 176.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -37.99 69.91 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 117.487 -1.244 . . . . 0.0 113.174 175.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.85 -45.47 78.44 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 119.866 1.212 . . . . 0.0 109.677 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.444 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 17.0 mt -53.87 -59.4 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.442 1.097 . . . . 0.0 110.54 172.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -63.55 -22.04 66.68 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -85.52 -37.15 19.98 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.415 1.886 . . . . 0.0 112.887 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.652 HG13 HG21 ' A' ' 97' ' ' VAL . 10.0 p -151.84 -4.8 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 N-CA-C 116.38 1.992 . . . . 0.0 116.38 -167.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 15.9 t60 -65.03 119.41 10.71 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 118.844 -2.41 . . . . 0.0 112.604 168.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.88 0.02 78.77 Favored Glycine 0 N--CA 1.473 1.161 0 C-N-CA 123.673 0.654 . . . . 0.0 112.092 169.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -82.0 137.68 35.05 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 127.152 2.181 . . . . 0.0 107.98 171.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.9 p -82.66 92.91 7.25 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 124.356 1.063 . . . . 0.0 112.096 -172.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.54 ' HB2' HD21 ' A' ' 95' ' ' LEU . 8.0 t80 -86.75 138.37 31.67 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.544 -0.722 . . . . 0.0 111.256 173.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 56.17 -55.62 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 129.241 3.016 . . . . 0.0 116.323 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -153.57 -12.3 0.15 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.989 2.115 . . . . 0.0 113.747 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -157.5 160.97 30.01 Favored Pre-proline 0 N--CA 1.478 0.943 0 CA-C-N 119.82 1.191 . . . . 0.0 112.008 -171.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -77.69 152.96 29.65 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 N-CA-C 115.359 1.254 . . . . 0.0 115.359 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.614 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.3 mm? -75.92 158.57 31.87 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.577 1.951 . . . . 0.0 113.345 173.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -123.11 50.79 1.51 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 124.447 2.07 . . . . 0.0 109.947 169.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.652 HG21 HG13 ' A' ' 85' ' ' VAL . 55.5 t -63.58 99.52 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 126.532 1.933 . . . . 0.0 106.58 175.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.717 HG13 ' H ' ' A' ' 99' ' ' TYR 0.258 0.8 OUTLIER -157.43 -127.32 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 121.008 1.731 . . . . 0.0 112.659 -164.533 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.717 ' H ' HG13 ' A' ' 98' ' ' VAL . 10.7 m-30 -104.69 13.82 30.81 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.711 2.404 . . . . 0.0 110.067 166.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.433 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.311 28.6 t 40.94 80.43 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 129.721 3.208 . . . . 0.0 114.347 -168.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -46.68 -47.73 20.27 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.345 1.458 . . . . 0.0 114.381 -168.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 164.88 157.56 0.08 OUTLIER Pre-proline 0 CA--C 1.554 1.129 1 C-N-CA 132.266 4.226 . . . . 0.0 108.99 -176.582 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -58.81 -1.66 0.85 Allowed 'Trans proline' 0 CA--C 1.548 1.202 0 C-N-CA 125.27 3.98 . . . . 0.0 119.442 -173.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.227 0 C-N-CA 125.413 1.485 . . . . 0.0 113.155 -178.548 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 110.806 -0.072 . . . . 0.0 110.806 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.411 ' CD1' ' H ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -146.92 170.56 16.82 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.73 1.612 . . . . 0.0 110.232 -179.43 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.411 ' H ' ' CD1' ' A' ' 29' ' ' LEU . 6.7 m -58.69 -10.78 2.52 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.301 1.84 . . . . 0.0 115.302 173.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.28 7.0 p30 48.22 0.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 130.824 3.65 . . . . 0.0 120.315 169.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.43 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 20.5 p -145.38 18.3 1.53 Allowed 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.234 1.379 . . . . 0.0 114.201 -170.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.574 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 46.3 mtt180 -125.99 134.17 51.56 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 -163.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.655 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -111.4 104.06 12.48 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 113.273 -1.785 . . . . 0.0 110.848 -167.44 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -97.47 99.62 11.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 124.343 2.021 . . . . 0.0 108.687 -169.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 m -136.3 129.69 46.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.076 -1.42 . . . . 0.0 108.822 -168.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.551 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -145.63 8.25 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.941 0 N-CA-C 119.938 3.31 . . . . 0.0 119.938 -167.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.551 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 72.3 Cg_exo -47.76 -49.29 13.88 Favored 'Trans proline' 0 C--N 1.355 0.917 0 CA-C-N 123.99 2.461 . . . . 0.0 115.636 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.13 141.71 98.37 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 128.959 2.904 . . . . 0.0 115.348 -168.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -60.38 -162.47 0.03 OUTLIER 'Trans proline' 0 CA--C 1.554 1.486 0 C-N-CA 124.745 3.63 . . . . 0.0 113.273 164.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.456 ' H ' HD22 ' A' ' 41' ' ' LEU . 1.9 mm? -66.61 31.82 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.836 2.054 . . . . 0.0 113.635 172.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -126.37 -19.33 4.68 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 116.48 2.03 . . . . 0.0 116.48 -169.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.2 p -63.21 151.88 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-N 119.666 1.121 . . . . 0.0 109.649 168.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -142.78 165.69 26.7 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 123.71 0.804 . . . . 0.0 110.372 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.21 -24.29 6.99 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 169.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.7 m -72.7 -34.88 67.44 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.718 1.607 . . . . 0.0 113.477 172.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -73.93 -42.78 60.09 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 120.861 -1.149 . . . . 0.0 108.067 177.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.587 ' CD1' HD11 ' A' ' 63' ' ' ILE . 6.1 mt -67.54 -31.15 71.05 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.605 173.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.47 -41.4 97.18 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 119.013 -2.305 . . . . 0.0 112.069 169.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -65.43 -34.84 79.23 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 172.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.4 mt -86.06 -39.89 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.709 0.804 . . . . 0.0 112.676 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.456 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 48.4 m-85 -108.36 -22.15 12.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.403 1.881 . . . . 0.0 113.39 -169.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.58 -33.36 47.87 Favored Glycine 0 CA--C 1.542 1.742 0 CA-C-O 117.583 -1.676 . . . . 0.0 115.057 168.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -58.86 -28.07 86.11 Favored 'Trans proline' 0 C--N 1.359 1.118 0 CA-C-N 121.305 2.553 . . . . 0.0 114.336 170.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.456 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.0 m-30 -80.85 -43.72 19.53 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.798 0.839 . . . . 0.0 110.749 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.69 -69.83 0.41 Allowed Glycine 0 CA--C 1.533 1.202 0 N-CA-C 116.475 1.35 . . . . 0.0 116.475 168.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -85.55 36.05 0.52 Allowed 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.431 2.754 . . . . 0.0 115.545 -166.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.7 ptp -48.07 103.83 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 CA-C-N 120.092 1.315 . . . . 0.0 110.253 167.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.95 -27.92 8.99 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 127.659 2.384 . . . . 0.0 112.271 -166.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -141.85 153.59 44.57 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 123.652 0.781 . . . . 0.0 110.115 168.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 t -151.56 65.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 -168.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -70.47 118.03 12.76 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.587 HD11 ' CD1' ' A' ' 48' ' ' LEU . 76.0 mt -126.54 125.81 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-O 122.04 0.924 . . . . 0.0 110.437 -174.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.544 HD12 ' C ' ' A' ' 63' ' ' ILE . 3.3 mp -130.88 -173.68 3.16 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 128.488 2.715 . . . . 0.0 109.207 -172.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -48.8 41.5 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.371 1 C-N-CA 133.301 4.64 . . . . 0.0 118.518 -173.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.87 22.11 9.68 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 126.281 1.896 . . . . 0.0 112.21 -167.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -133.17 148.16 52.06 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.508 1.154 . . . . 0.0 111.194 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.13 131.17 36.53 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 126.055 1.742 . . . . 0.0 108.502 173.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.503 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -121.92 79.8 1.62 Allowed 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 104.45 -2.426 . . . . 0.0 104.45 174.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.533 ' HB ' HD23 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -68.74 163.33 3.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 113.256 -1.793 . . . . 0.0 107.428 172.387 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -156.48 155.2 31.6 Favored 'General case' 0 C--N 1.313 -1.0 0 O-C-N 121.295 -0.878 . . . . 0.0 108.96 -173.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.655 ' CE2' HD21 ' A' ' 34' ' ' LEU . 14.1 m-85 -128.66 165.34 21.03 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 124.539 1.135 . . . . 0.0 111.134 173.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -97.64 17.26 18.22 Favored 'General case' 0 CA--C 1.557 1.212 0 CA-C-O 121.935 0.874 . . . . 0.0 109.916 167.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -139.05 103.01 4.67 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 128.298 2.639 . . . . 0.0 109.927 -169.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.49 -30.57 63.11 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.025 0.93 . . . . 0.0 112.799 173.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -69.0 -23.08 64.05 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.094 -1.004 . . . . 0.0 112.944 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.535 ' HB3' ' CD2' ' A' ' 72' ' ' PHE . 7.2 t -76.22 -34.1 59.25 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 119.174 0.897 . . . . 0.0 111.921 169.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -61.45 -48.48 80.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.148 169.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.85 -51.37 30.04 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.758 1.163 . . . . 0.0 112.745 171.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -68.96 -42.92 76.0 Favored 'General case' 0 C--N 1.346 0.417 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.7 88.82 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.269 1.028 . . . . 0.0 109.555 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.407 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 18.3 mt -56.98 -58.77 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 124.316 1.046 . . . . 0.0 109.943 174.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -63.4 -27.18 69.13 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -177.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.99 -44.61 47.18 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.855 1.262 . . . . 0.0 112.482 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.494 HG13 HG21 ' A' ' 97' ' ' VAL . 9.4 p -152.83 10.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 -165.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 9.1 t60 -74.28 121.45 21.31 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 119.377 -2.077 . . . . 0.0 111.242 168.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.61 -3.45 86.25 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 125.023 1.297 . . . . 0.0 111.999 176.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.29 136.23 35.76 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 127.699 2.4 . . . . 0.0 108.302 171.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.7 p -77.95 116.52 18.51 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 125.408 1.483 . . . . 0.0 111.963 -173.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -114.25 142.93 45.65 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.973 -0.455 . . . . 0.0 111.464 169.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.25 -59.15 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 128.268 2.627 . . . . 0.0 116.921 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -155.08 -1.15 0.16 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.232 2.213 . . . . 0.0 113.504 -172.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.92 165.2 1.86 Allowed Pre-proline 0 N--CA 1.487 1.417 0 CA-C-N 120.001 1.273 . . . . 0.0 112.786 -178.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -76.68 165.95 27.97 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 122.081 1.854 . . . . 0.0 116.454 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.407 ' CD1' ' HG2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -104.85 145.76 29.94 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.228 3.011 . . . . 0.0 112.935 -171.115 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.15 52.6 0.86 Allowed 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 124.998 2.333 . . . . 0.0 110.686 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.494 HG21 HG13 ' A' ' 85' ' ' VAL . 59.0 t -60.06 107.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 113.482 -1.69 . . . . 0.0 107.981 172.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.498 HG13 ' N ' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -158.81 -140.44 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 117.609 -1.636 . . . . 0.0 115.401 -165.259 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.498 ' N ' HG13 ' A' ' 98' ' ' VAL . 7.0 m-85 -106.53 67.57 0.73 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 104.303 -2.481 . . . . 0.0 104.303 165.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.574 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 17.2 t -35.08 140.28 0.08 Allowed 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 117.325 2.342 . . . . 0.0 117.325 -168.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -67.82 43.63 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 128.028 2.531 . . . . 0.0 113.835 171.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.1 tp -145.62 123.36 6.29 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.827 1.651 . . . . 0.0 109.77 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -90.46 -5.33 4.7 Favored 'Trans proline' 0 CA--C 1.549 1.238 0 C-N-CA 123.856 3.038 . . . . 0.0 115.039 -174.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.413 0 C-N-CA 126.02 1.728 . . . . 0.0 111.704 -173.411 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.583 ' N ' HD21 ' A' ' 31' ' ' ASN . 8.4 tp10 . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 119.348 -0.358 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.91 -65.91 0.2 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 128.495 2.718 . . . . 0.0 113.192 178.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.441 ' H ' ' H ' ' A' ' 31' ' ' ASN . 20.6 m -165.59 -12.85 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 128.505 2.722 . . . . 0.0 111.815 175.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.583 HD21 ' N ' ' A' ' 28' ' ' GLU 0.301 0.4 OUTLIER 53.02 -13.57 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 119.368 3.099 . . . . 0.0 119.368 175.383 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.451 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 58.1 p -144.13 31.91 1.24 Allowed 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 116.774 2.138 . . . . 0.0 116.774 -167.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.56 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 7.0 mtt180 -136.15 129.77 32.25 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 120.958 1.708 . . . . 0.0 114.827 -167.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.842 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -111.5 120.41 42.03 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.886 -1.134 . . . . 0.0 112.585 -169.137 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.419 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 81.8 t80 -108.3 102.28 11.42 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 125.04 2.353 . . . . 0.0 105.483 -169.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.308 12.6 t -128.16 103.32 9.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 111.788 -2.46 . . . . 0.0 106.66 -160.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.513 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 29.8 ptt85 -138.28 1.25 0.03 OUTLIER Pre-proline 0 CA--C 1.555 1.157 0 N-CA-C 120.054 3.353 . . . . 0.0 120.054 -164.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 99.0 Cg_exo -54.46 -38.47 89.78 Favored 'Trans proline' 0 C--N 1.356 0.936 0 CA-C-N 123.899 2.428 . . . . 0.0 116.431 176.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.87 162.09 76.15 Favored Pre-proline 0 CA--C 1.535 0.366 0 C-N-CA 126.925 2.09 . . . . 0.0 113.752 -168.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -79.6 -175.39 2.7 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 122.21 1.94 . . . . 0.0 111.535 166.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.6 mp -50.91 -21.93 1.98 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.531 1.933 . . . . 0.0 113.958 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -63.56 -19.68 65.0 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.404 1.882 . . . . 0.0 114.529 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.08 140.0 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 120.821 1.646 . . . . 0.0 111.422 173.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -150.32 171.99 16.1 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 126.247 1.819 . . . . 0.0 109.587 -170.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.41 -29.3 34.2 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-O 118.306 -0.854 . . . . 0.0 112.205 173.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.3 p -66.89 -35.0 79.02 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 120.604 1.547 . . . . 0.0 114.318 173.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.34 -45.4 39.67 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 124.536 2.112 . . . . 0.0 107.996 -176.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.78 -37.25 86.97 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 112.569 -2.105 . . . . 0.0 109.696 171.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -61.68 -40.35 94.67 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.255 -1.528 . . . . 0.0 111.861 173.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -61.24 -40.73 95.14 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 172.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 91.6 mt -82.44 -41.04 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -176.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.499 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 37.3 m-85 -102.02 -23.82 14.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.158 2.183 . . . . 0.0 114.008 -169.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -48.74 -33.41 12.66 Favored Glycine 0 CA--C 1.543 1.829 0 CA-C-O 117.583 -1.676 . . . . 0.0 115.144 171.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -63.06 -22.73 73.62 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 CA-C-N 121.544 2.672 . . . . 0.0 114.89 172.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -80.25 -53.31 6.77 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.077 0.853 . . . . 0.0 111.93 -172.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.25 -118.0 0.8 Allowed Glycine 0 CA--C 1.536 1.38 0 CA-C-O 119.001 -0.888 . . . . 0.0 115.159 -168.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -77.77 -34.92 1.63 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.067 2.511 . . . . 0.0 117.186 -166.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.8 ptm 33.63 60.67 0.49 Allowed 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 123.717 1.723 . . . . 0.0 112.795 -170.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -30.95 70.1 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 127.989 2.516 . . . . 0.0 114.935 -167.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -141.2 152.23 44.45 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.456 0.646 . . . . 0.0 110.692 168.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.6 t -151.2 76.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 124.413 1.085 . . . . 0.0 108.421 -166.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -83.23 123.01 29.16 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.158 -173.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.64 ' C ' HD12 ' A' ' 64' ' ' LEU . 8.5 mm -116.17 126.46 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.674 1.59 . . . . 0.0 111.627 -169.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.64 HD12 ' C ' ' A' ' 63' ' ' ILE . 2.2 mp -135.63 -177.37 4.64 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 127.384 2.274 . . . . 0.0 110.142 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -53.75 40.59 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.476 1 C-N-CA 132.317 4.247 . . . . 0.0 118.634 -170.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.99 6.24 12.71 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 126.45 1.976 . . . . 0.0 112.026 -168.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -130.14 147.18 51.85 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 118.141 0.971 . . . . 0.0 111.424 -170.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.56 135.29 40.21 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 126.671 1.988 . . . . 0.0 108.438 177.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.62 ' CE1' HD13 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -127.69 83.12 2.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 177.683 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.499 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 1.8 t -76.3 160.6 4.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 113.217 -1.81 . . . . 0.0 107.763 178.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -156.73 149.55 23.75 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 121.506 -0.746 . . . . 0.0 109.619 -168.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.842 ' CE2' HD21 ' A' ' 34' ' ' LEU . 38.9 m-85 -128.66 152.9 47.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.629 1.204 . . . . 0.0 112.263 174.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -75.12 -13.69 60.5 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 114.422 -1.263 . . . . 0.0 112.507 169.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -136.13 146.14 46.62 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.32 1.848 . . . . 0.0 113.511 -169.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.29 -24.46 54.41 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -175.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -70.35 -38.27 74.77 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.43 1.014 . . . . 0.0 111.554 -177.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.445 ' HA ' ' HE3' ' A' ' 80' ' ' LYS . 4.9 t -65.32 -34.55 78.61 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 121.472 -0.768 . . . . 0.0 112.576 170.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.451 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -68.76 -50.5 50.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 118.988 0.813 . . . . 0.0 111.838 175.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.1 -47.83 68.28 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.594 1.157 . . . . 0.0 112.1 173.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 77' ' ' SER . 3.2 ptpt -68.83 -40.65 79.33 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 118.202 -0.904 . . . . 0.0 112.519 177.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.66 -46.16 81.23 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 119.162 0.892 . . . . 0.0 110.133 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 9.6 mt -53.9 -57.62 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 121.268 -0.895 . . . . 0.0 110.35 173.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -65.14 -23.94 67.27 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -82.85 -35.49 26.25 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.954 1.702 . . . . 0.0 112.957 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.669 HG13 HG21 ' A' ' 97' ' ' VAL . 12.1 p -150.96 -8.78 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 -166.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -62.76 114.93 3.9 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 119.203 -2.185 . . . . 0.0 112.106 169.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.05 0.01 62.08 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.236 0.922 . . . . 0.0 112.507 170.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -84.22 137.57 33.42 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 127.164 2.186 . . . . 0.0 108.211 175.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.4 p -83.41 97.14 8.8 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.702 1.201 . . . . 0.0 111.96 -171.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.567 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.9 t80 -91.12 142.94 27.2 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.16 -0.963 . . . . 0.0 112.027 170.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.36 -63.54 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 128.389 2.676 . . . . 0.0 115.774 -175.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -151.79 -1.25 0.32 Allowed 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.152 1.781 . . . . 0.0 114.426 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -159.56 162.67 24.89 Favored Pre-proline 0 N--CA 1.477 0.886 0 CA-C-N 119.843 1.201 . . . . 0.0 111.908 -174.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -81.16 152.8 18.59 Favored 'Trans proline' 0 C--N 1.349 0.569 0 N-CA-C 116.013 1.505 . . . . 0.0 116.013 -174.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.568 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.9 mm? -72.32 158.68 35.36 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.368 1.867 . . . . 0.0 112.475 169.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -135.37 52.88 2.0 Allowed 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 125.606 2.622 . . . . 0.0 108.641 -176.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.669 HG21 HG13 ' A' ' 85' ' ' VAL . 51.7 t -73.42 106.92 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 129.626 3.17 . . . . 0.0 108.008 -175.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.77 HG13 ' H ' ' A' ' 99' ' ' TYR 0.279 2.1 p -157.91 -121.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 121.5 1.955 . . . . 0.0 115.807 -162.2 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.77 ' H ' HG13 ' A' ' 98' ' ' VAL . 10.5 m-30 -116.12 45.3 1.78 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 128.498 2.719 . . . . 0.0 108.649 172.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.56 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 17.4 m -49.42 114.47 1.04 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 117.843 2.535 . . . . 0.0 117.843 -167.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp 35.79 87.03 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 128.019 2.528 . . . . 0.0 115.843 167.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.7 tt -43.04 -57.84 4.68 Favored Pre-proline 0 CA--C 1.553 1.07 0 C-N-CA 126.294 1.838 . . . . 0.0 114.876 177.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.74 121.23 8.12 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.093 1.862 . . . . 0.0 112.353 -173.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 C-N-CA 127.087 2.155 . . . . 0.0 114.125 -173.295 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 119.042 -0.504 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.47 -77.29 0.28 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.149 0.98 . . . . 0.0 109.299 168.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.3 m -178.9 -35.72 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 128.21 2.604 . . . . 0.0 111.004 170.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.481 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.7 OUTLIER 61.65 6.26 1.5 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.393 2.277 . . . . 0.0 114.989 -171.015 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.6 p -148.21 22.6 1.07 Allowed 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 -165.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.61 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 4.8 mpt_? -136.64 124.23 22.29 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 123.273 2.76 . . . . 0.0 116.261 -170.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.696 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -104.15 107.36 18.22 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 120.139 -1.601 . . . . 0.0 112.514 -167.84 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -102.6 97.3 7.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 124.377 2.036 . . . . 0.0 111.239 -169.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -128.14 127.28 67.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 122.855 1.312 . . . . 0.0 108.636 -169.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 ptt-85 -147.08 20.79 0.04 OUTLIER Pre-proline 0 CA--C 1.55 0.98 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 -165.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 56.4 Cg_endo -75.5 -21.64 14.74 Favored 'Trans proline' 0 C--N 1.352 0.754 0 CA-C-N 122.478 1.921 . . . . 0.0 114.304 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.457 ' CD1' HG11 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -88.57 159.02 47.6 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 125.747 1.619 . . . . 0.0 113.611 -168.098 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.38 -178.33 3.59 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 123.147 2.565 . . . . 0.0 110.489 167.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mp -55.44 -17.46 5.15 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.11 1.364 . . . . 0.0 114.101 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.17 -21.49 65.12 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.474 1.909 . . . . 0.0 114.973 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.457 HG11 ' CD1' ' A' ' 39' ' ' PHE . 12.8 p -64.7 145.09 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 120.372 1.442 . . . . 0.0 111.326 173.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -164.46 176.02 9.4 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 124.751 1.22 . . . . 0.0 110.3 -175.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.09 -30.19 64.12 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 117.666 -1.159 . . . . 0.0 113.249 -169.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 p -64.13 -33.29 75.45 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 121.446 1.93 . . . . 0.0 114.422 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -81.52 -42.44 20.2 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 125.888 1.675 . . . . 0.0 108.222 -176.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.66 -36.43 83.8 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.479 -1.237 . . . . 0.0 109.994 169.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -62.53 -41.59 98.97 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 119.978 -1.701 . . . . 0.0 112.134 173.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -59.73 -40.5 88.24 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 172.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.3 mt -83.8 -42.09 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -175.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.411 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 35.8 m-85 -103.54 -25.8 13.07 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.288 1.835 . . . . 0.0 113.735 -169.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -48.92 -34.7 16.24 Favored Glycine 0 CA--C 1.544 1.898 0 CA-C-O 117.589 -1.673 . . . . 0.0 114.846 171.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.01 -26.14 81.58 Favored 'Trans proline' 0 C--N 1.359 1.114 0 CA-C-N 121.42 2.61 . . . . 0.0 114.966 171.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.411 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 3.4 m-30 -74.29 -40.42 62.29 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.155 0.888 . . . . 0.0 111.035 -178.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.34 -76.72 0.37 Allowed Glycine 0 CA--C 1.529 0.958 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.515 169.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -78.77 159.22 28.02 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.416 2.744 . . . . 0.0 111.706 175.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 48.4 mtp -150.87 55.8 0.9 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.39 2.276 . . . . 0.0 108.003 168.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.476 ' HB3' ' HA ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -48.59 -31.65 6.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 113.121 -1.854 . . . . 0.0 112.457 -174.521 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -158.27 159.47 36.02 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.79 0.805 . . . . 0.0 112.413 171.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.459 HG13 HG22 ' A' ' 70' ' ' VAL . 1.7 t -151.59 80.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 -168.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 119.6 17.81 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 175.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.569 ' C ' HD12 ' A' ' 64' ' ' LEU . 58.4 mt -129.22 126.75 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.829 1.195 . . . . 0.0 111.938 -173.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.569 HD12 ' C ' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -135.53 -168.17 2.15 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 127.84 2.456 . . . . 0.0 110.034 -172.435 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -45.82 29.76 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.65 1 C-N-CA 134.828 5.251 . . . . 0.0 120.223 -172.086 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.24 13.5 8.27 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 127.169 2.319 . . . . 0.0 110.89 -166.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -129.88 146.21 51.6 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.226 0.611 . . . . 0.0 111.627 -168.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.93 129.98 26.61 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 125.077 1.351 . . . . 0.0 109.38 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.478 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -125.48 78.64 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 179.043 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.541 ' HB ' HD23 ' A' ' 34' ' ' LEU . 1.7 t -70.79 161.2 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 113.428 -1.714 . . . . 0.0 107.849 178.189 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -152.01 148.31 27.56 Favored 'General case' 0 C--O 1.244 0.803 0 O-C-N 121.263 -0.898 . . . . 0.0 109.418 -170.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.696 ' CE2' HD21 ' A' ' 34' ' ' LEU . 21.6 m-85 -127.55 166.57 17.75 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.134 1.374 . . . . 0.0 113.013 -177.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -113.04 17.03 19.13 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.795 1.638 . . . . 0.0 110.243 167.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -139.91 99.26 3.65 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 128.094 2.558 . . . . 0.0 108.165 -171.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.22 -27.5 67.23 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.585 -0.697 . . . . 0.0 112.829 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -65.85 -26.75 67.79 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.492 -0.755 . . . . 0.0 112.527 171.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.556 ' HA ' ' HE3' ' A' ' 80' ' ' LYS . 8.5 t -74.1 -36.09 64.23 Favored 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 121.108 -0.995 . . . . 0.0 112.083 170.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.44 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 119.569 1.077 . . . . 0.0 110.454 172.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.84 -51.0 55.48 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.254 1.022 . . . . 0.0 112.835 172.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.556 ' HE3' ' HA ' ' A' ' 77' ' ' SER . 1.8 ptpt -70.14 -40.36 74.84 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.62 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.61 -42.79 83.97 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 118.943 0.792 . . . . 0.0 109.619 176.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.448 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 14.1 mt -56.57 -59.62 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.962 0.905 . . . . 0.0 110.263 173.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -62.69 -28.09 69.7 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -177.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.52 -42.81 58.26 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.515 1.526 . . . . 0.0 112.592 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.8 p -155.58 6.1 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -165.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.448 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 8.2 t60 -68.9 120.29 14.56 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 119.324 -2.11 . . . . 0.0 111.814 168.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.05 -5.63 81.7 Favored Glycine 0 N--CA 1.473 1.144 0 C-N-CA 124.932 1.254 . . . . 0.0 112.429 170.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -73.74 136.77 43.7 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 127.668 2.387 . . . . 0.0 108.26 168.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.0 p -77.47 100.54 6.06 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.954 1.302 . . . . 0.0 111.115 -178.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -94.82 146.68 24.03 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.625 -0.672 . . . . 0.0 110.534 171.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.99 -61.32 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 127.14 2.176 . . . . 0.0 114.996 -176.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -155.31 -2.81 0.15 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.322 1.849 . . . . 0.0 114.585 170.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -159.89 163.05 23.54 Favored Pre-proline 0 CA--C 1.55 0.961 0 CA-C-N 120.541 1.519 . . . . 0.0 111.827 -172.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -81.39 167.02 17.69 Favored 'Trans proline' 0 C--N 1.348 0.505 0 N-CA-C 118.043 2.286 . . . . 0.0 118.043 -169.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.428 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 1.3 mp -102.85 144.81 30.69 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 130.067 3.347 . . . . 0.0 112.267 -173.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -119.32 50.68 1.21 Allowed 'General case' 0 N--CA 1.481 1.113 0 CA-C-O 124.795 2.236 . . . . 0.0 110.26 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.04 105.02 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 C-N-CA 126.612 1.965 . . . . 0.0 108.301 174.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.761 HG13 ' H ' ' A' ' 99' ' ' TYR 0.301 0.8 OUTLIER -153.27 -127.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.532 0 C-N-CA 117.572 -1.651 . . . . 0.0 114.664 -165.712 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.761 ' H ' HG13 ' A' ' 98' ' ' VAL . 12.8 m-85 -115.21 18.01 16.38 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 127.611 2.364 . . . . 0.0 110.526 173.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.61 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 22.7 t 7.77 56.72 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 130.735 3.614 . . . . 0.0 118.329 -171.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -162.19 168.14 22.94 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.378 -1.451 . . . . 0.0 112.041 176.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -74.69 162.98 71.32 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 124.113 0.965 . . . . 0.0 111.289 168.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -64.45 102.56 0.4 Allowed 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 123.694 2.929 . . . . 0.0 111.222 170.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.986 0 C-N-CA 127.454 2.302 . . . . 0.0 109.75 -178.762 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 120.43 0.157 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.521 HD11 ' HA ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -141.85 167.43 22.15 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.209 1.803 . . . . 0.0 110.44 177.121 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.8 m -68.08 -14.75 63.22 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.874 1.67 . . . . 0.0 114.825 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.572 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 26.6 m-20 49.84 11.69 0.06 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 129.828 3.251 . . . . 0.0 117.78 177.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.405 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 82.3 p -150.27 25.55 0.8 Allowed 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -166.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.526 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 17.6 mtt180 -138.73 127.92 24.14 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 -166.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.628 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -100.69 104.43 15.72 Favored 'General case' 0 N--CA 1.443 -0.805 0 O-C-N 120.941 -1.099 . . . . 0.0 110.172 -170.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -98.28 103.1 15.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 123.941 1.829 . . . . 0.0 110.059 -172.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -138.14 127.64 33.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 122.774 1.273 . . . . 0.0 109.139 -167.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.97 22.28 0.04 OUTLIER Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 -167.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -70.02 -36.8 9.47 Favored 'Trans proline' 0 C--N 1.353 0.78 0 CA-C-N 121.997 1.749 . . . . 0.0 113.392 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -73.36 155.92 89.39 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 126.751 2.02 . . . . 0.0 114.258 -168.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -75.12 -173.64 1.66 Allowed 'Trans proline' 0 CA--C 1.549 1.227 0 C-N-CA 123.429 2.752 . . . . 0.0 110.544 166.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 mp -53.82 -18.02 2.9 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.724 1.61 . . . . 0.0 114.237 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.55 -23.05 66.79 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.802 2.041 . . . . 0.0 115.147 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.5 p -65.89 138.73 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 CA-C-N 120.519 1.509 . . . . 0.0 112.036 174.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -142.06 174.29 10.74 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.845 1.258 . . . . 0.0 109.731 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -59.7 -20.67 57.85 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 120.952 -1.093 . . . . 0.0 113.765 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -67.98 -35.25 78.03 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.086 1.354 . . . . 0.0 113.955 169.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -82.22 -39.4 23.14 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.331 1.453 . . . . 0.0 107.835 -177.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.445 ' CD1' HD11 ' A' ' 63' ' ' ILE . 8.1 mt -66.91 -29.96 69.98 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.368 169.41 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -61.68 -43.82 98.13 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 120.261 -1.524 . . . . 0.0 111.715 168.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -60.08 -34.39 73.39 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 170.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.0 mt -85.12 -40.77 15.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 123.635 0.774 . . . . 0.0 112.524 -174.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.548 ' CE2' HG21 ' A' ' 70' ' ' VAL . 69.7 m-85 -109.3 -22.65 11.96 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.658 1.583 . . . . 0.0 114.598 -169.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.04 -32.58 35.29 Favored Glycine 0 CA--C 1.541 1.66 0 CA-C-O 117.346 -1.808 . . . . 0.0 115.455 169.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -60.53 -24.39 78.02 Favored 'Trans proline' 0 C--N 1.361 1.2 0 CA-C-N 121.552 2.676 . . . . 0.0 114.574 173.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 3.4 m-85 -91.9 -45.04 8.57 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.643 1.177 . . . . 0.0 110.834 -177.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 129.43 -74.59 0.44 Allowed Glycine 0 CA--C 1.532 1.103 0 N-CA-C 117.337 1.695 . . . . 0.0 117.337 166.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -82.43 39.09 0.8 Allowed 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 123.771 2.98 . . . . 0.0 116.209 -165.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.04 97.59 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 125.366 1.466 . . . . 0.0 110.214 167.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.443 ' HE2' ' C ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -110.27 -24.0 10.91 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.181 1.792 . . . . 0.0 112.966 -167.11 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -142.46 156.96 45.22 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.348 1.059 . . . . 0.0 109.825 166.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 t -154.99 71.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 126.28 1.832 . . . . 0.0 107.756 -165.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -69.71 126.65 30.37 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 171.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.445 HD11 ' CD1' ' A' ' 48' ' ' LEU . 48.6 mt -128.52 123.27 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.915 0.886 . . . . 0.0 110.542 -178.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -115.65 179.32 4.0 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 128.799 2.839 . . . . 0.0 109.028 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -57.03 47.51 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 130.1 3.36 . . . . 0.0 117.412 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.18 5.27 15.11 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 126.575 2.035 . . . . 0.0 113.492 -169.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -127.48 148.23 50.31 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.331 1.565 . . . . 0.0 110.584 -174.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -142.33 134.11 26.98 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 124.685 1.194 . . . . 0.0 109.795 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -129.11 81.77 2.04 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 -178.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.548 HG21 ' CE2' ' A' ' 52' ' ' PHE . 1.3 t -78.08 155.24 5.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 112.999 -1.909 . . . . 0.0 106.438 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -150.69 146.76 26.67 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 120.753 -1.217 . . . . 0.0 110.156 -166.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.628 ' CE2' HD21 ' A' ' 34' ' ' LEU . 16.6 m-85 -133.11 168.88 17.71 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -173.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -95.98 -11.06 27.11 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -170.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.3 144.32 21.88 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.132 1.373 . . . . 0.0 110.276 -177.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.46 -16.39 64.19 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -170.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -51.4 -45.12 62.41 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.284 1.433 . . . . 0.0 113.967 168.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.1 p -67.31 -44.09 80.02 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 124.98 1.312 . . . . 0.0 112.0 -175.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.405 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -63.69 -49.42 73.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 117.904 -1.046 . . . . 0.0 110.911 170.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.33 -49.82 60.62 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 119.686 1.13 . . . . 0.0 111.897 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -44.5 76.51 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-O 118.169 -0.92 . . . . 0.0 112.84 175.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.25 85.67 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 119.671 1.123 . . . . 0.0 110.571 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.6 mt -54.6 -59.91 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 125.038 1.335 . . . . 0.0 110.596 171.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.42 -33.33 69.56 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -79.76 -39.03 31.9 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.631 1.572 . . . . 0.0 113.674 -174.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.515 HG13 HG21 ' A' ' 97' ' ' VAL . 13.6 p -149.2 1.61 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -166.209 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -73.45 130.09 39.37 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 119.575 -1.953 . . . . 0.0 111.395 168.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.72 -9.17 72.52 Favored Glycine 0 N--CA 1.472 1.079 0 C-N-CA 125.316 1.436 . . . . 0.0 111.73 172.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.439 ' HE2' ' HA ' ' A' ' 85' ' ' VAL . 1.8 mppt? -76.82 136.95 38.95 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 127.7 2.4 . . . . 0.0 108.973 169.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.2 p -83.75 110.04 17.99 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 125.64 1.576 . . . . 0.0 111.921 -171.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -106.93 144.44 33.56 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 122.005 -0.434 . . . . 0.0 109.924 172.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 53.85 -60.87 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 128.099 2.56 . . . . 0.0 116.299 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -156.6 -5.31 0.11 Allowed 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 126.571 1.949 . . . . 0.0 113.685 -175.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -161.09 165.01 17.85 Favored Pre-proline 0 N--CA 1.476 0.848 0 CA-C-N 120.192 1.36 . . . . 0.0 112.479 177.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -75.09 152.77 40.76 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 N-CA-C 116.478 1.684 . . . . 0.0 116.478 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.506 ' HB3' HG23 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -83.8 141.58 31.27 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 129.87 3.268 . . . . 0.0 112.291 179.775 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -115.15 50.91 0.95 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 125.898 2.761 . . . . 0.0 109.742 -178.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.515 HG21 HG13 ' A' ' 85' ' ' VAL . 54.8 t -67.18 104.21 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.505 -0.755 0 C-N-CA 127.584 2.354 . . . . 0.0 106.733 -177.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.664 HG13 ' H ' ' A' ' 99' ' ' TYR 0.3 1.1 p -153.76 -128.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.259 0 C-N-CA 116.754 -1.978 . . . . 0.0 114.592 -164.016 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.664 ' H ' HG13 ' A' ' 98' ' ' VAL . 13.0 m-30 -109.58 16.02 22.48 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 127.661 2.384 . . . . 0.0 110.041 168.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.526 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.345 31.3 t 36.67 14.61 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 131.605 3.962 . . . . 0.0 120.118 -170.759 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.521 ' HA ' HD11 ' A' ' 29' ' ' LEU . 91.9 mttt 60.84 5.57 0.99 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 116.211 1.93 . . . . 0.0 116.211 173.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -155.92 151.45 21.82 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 125.405 1.482 . . . . 0.0 112.832 176.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -88.87 -24.23 0.81 Allowed 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.677 2.918 . . . . 0.0 114.492 -178.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.847 0 C-N-CA 125.512 1.525 . . . . 0.0 111.745 178.55 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 67.93 -64.7 0.27 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 128.101 2.56 . . . . 0.0 112.173 -177.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.4 m -164.4 -20.38 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 128.526 2.731 . . . . 0.0 111.686 170.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.467 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 1.7 m-80 64.27 -15.85 0.08 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.612 2.365 . . . . 0.0 115.886 -177.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.4 p -138.45 32.16 2.31 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 119.054 2.983 . . . . 0.0 119.054 -165.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 6.1 mpt_? -132.92 135.53 45.61 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 121.293 1.861 . . . . 0.0 113.087 -174.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.739 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -114.05 125.74 54.33 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 119.951 -1.718 . . . . 0.0 112.911 -168.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -112.64 109.31 18.77 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 124.233 1.968 . . . . 0.0 105.943 -167.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.297 6.8 t -135.1 100.11 2.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 112.876 -1.965 . . . . 0.0 107.348 -159.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -141.79 7.73 0.03 OUTLIER Pre-proline 0 CA--C 1.551 1.003 0 N-CA-C 119.952 3.315 . . . . 0.0 119.952 -165.244 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.492 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 76.0 Cg_exo -53.06 -41.91 68.45 Favored 'Trans proline' 0 C--N 1.356 0.963 0 CA-C-N 123.642 2.336 . . . . 0.0 114.843 170.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.88 154.49 94.64 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 126.53 1.932 . . . . 0.0 112.231 -170.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -78.13 -167.49 0.5 Allowed 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 121.597 1.532 . . . . 0.0 110.076 165.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mp -52.47 -14.23 0.46 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.012 1.725 . . . . 0.0 114.836 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -58.42 -33.2 69.42 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.173 2.189 . . . . 0.0 115.558 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -68.35 139.7 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 120.24 1.382 . . . . 0.0 111.967 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -143.16 175.57 9.77 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.817 1.247 . . . . 0.0 110.182 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -53.32 -32.36 48.57 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-O 118.131 -0.938 . . . . 0.0 112.836 176.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.9 p -65.96 -34.27 77.71 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.773 1.624 . . . . 0.0 114.289 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -80.65 -39.65 26.95 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.361 1.064 . . . . 0.0 108.734 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.8 mt -62.85 -39.16 93.53 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.694 168.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.05 -39.98 91.91 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.126 1.33 . . . . 0.0 112.052 174.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -62.21 -42.59 99.44 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 171.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 82.1 mt -80.55 -36.88 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.162 0.985 . . . . 0.0 112.947 -174.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.424 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 47.7 m-85 -106.28 -21.0 13.22 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.662 1.985 . . . . 0.0 114.006 -169.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -48.31 -33.11 10.69 Favored Glycine 0 CA--C 1.543 1.832 0 CA-C-O 117.218 -1.879 . . . . 0.0 115.0 169.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -63.0 -22.85 73.99 Favored 'Trans proline' 0 CA--C 1.546 1.094 0 CA-C-N 121.851 2.826 . . . . 0.0 114.433 172.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.9 m-30 -87.75 -40.83 13.76 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.352 1.061 . . . . 0.0 111.059 -173.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.62 -88.37 0.26 Allowed Glycine 0 CA--C 1.535 1.303 0 N-CA-C 118.491 2.156 . . . . 0.0 118.491 165.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -63.24 -35.57 62.41 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 N-CA-C 118.099 2.307 . . . . 0.0 118.099 -165.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.9 mtp 31.55 50.88 0.15 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 127.34 2.256 . . . . 0.0 114.448 -170.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -25.82 52.66 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 126.997 2.119 . . . . 0.0 113.42 -173.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -152.17 156.51 39.94 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.067 0.461 . . . . 0.0 112.028 169.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 t -154.35 68.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.322 0 C-N-CA 125.177 1.391 . . . . 0.0 108.202 -171.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -66.52 122.44 17.57 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.137 -0.977 . . . . 0.0 108.447 177.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.598 ' C ' HD12 ' A' ' 64' ' ' LEU . 13.6 mm -113.69 124.37 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.46 1.104 . . . . 0.0 110.329 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.604 HD13 ' CE1' ' A' ' 69' ' ' PHE . 4.4 mp -132.56 177.9 7.25 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.777 2.431 . . . . 0.0 109.863 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -58.23 49.66 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 130.305 3.442 . . . . 0.0 117.725 -169.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.01 3.18 18.07 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.985 1.755 . . . . 0.0 113.148 -169.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -132.74 140.96 48.3 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 118.267 1.034 . . . . 0.0 110.831 -171.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.04 135.66 53.74 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 126.4 1.88 . . . . 0.0 107.585 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.604 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -128.76 83.89 2.19 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 177.004 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.424 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 2.1 t -79.22 166.44 2.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 113.299 -1.773 . . . . 0.0 108.342 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.564 ' CD ' ' HE ' ' A' ' 33' ' ' ARG . 26.3 tt0 -160.22 154.74 23.83 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.14 -0.975 . . . . 0.0 110.938 -171.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.739 ' CE2' HD21 ' A' ' 34' ' ' LEU . 25.9 m-85 -132.45 165.53 24.09 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 113.703 -1.589 . . . . 0.0 111.437 169.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -98.71 2.77 47.39 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.21 149.97 42.08 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.159 1.384 . . . . 0.0 111.617 -177.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.81 -23.01 59.61 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -177.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -58.97 -52.67 64.74 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.588 1.086 . . . . 0.0 113.798 174.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.519 ' HB2' ' CG ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -56.36 -46.79 79.84 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 126.55 1.94 . . . . 0.0 112.122 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.83 -47.47 65.95 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 175.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.62 -46.42 77.38 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.411 1.085 . . . . 0.0 112.016 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.2 -39.33 78.71 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-O 117.844 -1.075 . . . . 0.0 112.72 173.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.99 -46.0 78.83 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.468 1.031 . . . . 0.0 110.303 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.9 mt -52.82 -59.25 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.57 0 C-N-CA 124.35 1.06 . . . . 0.0 109.99 172.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -63.32 -25.22 68.21 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.06 -35.0 29.19 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.861 1.665 . . . . 0.0 113.401 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.624 HG13 HG21 ' A' ' 97' ' ' VAL . 7.2 p -147.95 -12.33 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.856 1.799 . . . . 0.0 115.856 -168.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -63.42 119.69 10.21 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 119.44 -2.037 . . . . 0.0 110.777 168.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.05 2.9 58.07 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 123.614 0.626 . . . . 0.0 112.211 171.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -96.64 132.51 42.21 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 126.585 1.954 . . . . 0.0 108.464 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.7 p -79.6 96.75 6.25 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 124.744 1.218 . . . . 0.0 113.267 -169.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.56 ' HB2' HD21 ' A' ' 95' ' ' LEU . 2.6 t80 -95.14 142.01 28.09 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.997 -0.439 . . . . 0.0 111.096 170.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 55.09 -59.97 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 128.574 2.75 . . . . 0.0 117.11 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -151.57 -10.23 0.21 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 126.872 2.069 . . . . 0.0 114.227 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -158.88 164.19 21.83 Favored Pre-proline 0 N--CA 1.475 0.817 0 CA-C-N 119.432 1.015 . . . . 0.0 111.311 -171.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.78 151.62 31.93 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 121.016 1.144 . . . . 0.0 114.754 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.56 HD21 ' HB2' ' A' ' 90' ' ' PHE . 2.0 mm? -69.92 154.25 42.2 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 113.683 -1.599 . . . . 0.0 111.728 169.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -129.07 49.68 2.21 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 125.545 2.593 . . . . 0.0 109.554 -171.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.624 HG21 HG13 ' A' ' 85' ' ' VAL . 50.8 t -72.28 106.29 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 129.086 2.954 . . . . 0.0 107.192 -173.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.873 HG13 ' H ' ' A' ' 99' ' ' TYR 0.282 1.9 p -157.31 -114.39 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 121.43 1.923 . . . . 0.0 114.816 -162.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.873 ' H ' HG13 ' A' ' 98' ' ' VAL . 7.8 m-30 -117.28 11.39 14.02 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.884 2.474 . . . . 0.0 112.121 173.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.594 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 18.1 m 0.25 -56.02 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.003 2 C-N-CA 133.856 4.862 . . . . 0.0 122.224 -175.804 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.64 161.91 41.94 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 119.963 1.256 . . . . 0.0 113.834 -168.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.587 ' H ' ' HD2' ' A' ' 103' ' ' PRO . 2.8 tt -143.56 -50.55 0.02 OUTLIER Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 125.309 1.444 . . . . 0.0 112.894 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.587 ' HD2' ' H ' ' A' ' 102' ' ' LEU . 44.7 Cg_endo -79.43 27.79 0.52 Allowed 'Trans proline' 0 CA--C 1.553 1.464 0 C-N-CA 123.13 2.553 . . . . 0.0 113.966 -176.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 C-N-CA 127.058 2.143 . . . . 0.0 111.681 -176.587 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 119.947 -0.073 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.57 -64.24 0.15 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.186 1.395 . . . . 0.0 110.214 -175.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.1 m -175.04 -32.52 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 130.11 3.364 . . . . 0.0 109.592 175.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.538 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 1.9 m-20 61.53 10.65 3.35 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 128.718 2.807 . . . . 0.0 115.029 172.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.424 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 70.1 p -151.8 20.66 0.7 Allowed 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 -164.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.624 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 92.7 mtt180 -134.52 139.04 45.15 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 122.273 2.306 . . . . 0.0 115.857 -164.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.614 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -117.22 109.04 16.39 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 120.2 -1.563 . . . . 0.0 113.649 -167.636 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.486 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 1.1 t80 -102.14 98.89 8.99 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-O 123.725 1.726 . . . . 0.0 109.124 -169.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.7 127.29 58.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 122.853 1.311 . . . . 0.0 107.818 -170.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.597 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 19.6 ptt-85 -147.35 11.41 0.02 OUTLIER Pre-proline 0 CA--C 1.554 1.126 0 N-CA-C 119.698 3.222 . . . . 0.0 119.698 -163.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.597 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 78.2 Cg_exo -54.45 -42.46 67.66 Favored 'Trans proline' 0 C--N 1.356 0.923 0 CA-C-N 123.444 2.266 . . . . 0.0 115.105 172.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.59 137.69 58.9 Favored Pre-proline 0 N--CA 1.448 -0.57 0 C-N-CA 126.839 2.055 . . . . 0.0 113.484 -168.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -65.65 -167.48 0.11 Allowed 'Trans proline' 0 CA--C 1.556 1.615 0 C-N-CA 123.16 2.573 . . . . 0.0 110.991 163.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.7 mp -61.98 -4.9 1.8 Allowed 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -175.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -69.9 -11.49 60.91 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 174.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 p -79.8 146.9 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 119.674 1.124 . . . . 0.0 110.847 169.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -161.73 -169.45 2.25 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.626 1.17 . . . . 0.0 110.784 168.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.68 -36.58 57.3 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -169.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -64.36 -29.73 70.8 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 121.411 1.914 . . . . 0.0 114.34 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -85.14 -41.02 16.08 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 125.095 1.358 . . . . 0.0 108.832 -176.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.67 -39.95 95.54 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.296 169.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -58.23 -44.5 88.26 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 120.789 -1.194 . . . . 0.0 112.066 171.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -60.14 -36.48 77.6 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 173.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.9 mt -84.07 -42.63 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 124.585 1.154 . . . . 0.0 112.659 -175.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.574 ' CE2' HG21 ' A' ' 70' ' ' VAL . 66.9 m-85 -101.8 -31.75 10.6 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.482 1.913 . . . . 0.0 114.248 -171.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.04 -34.52 23.96 Favored Glycine 0 CA--C 1.544 1.88 0 CA-C-O 117.274 -1.848 . . . . 0.0 114.877 174.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -59.15 -25.76 79.24 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 CA-C-N 121.816 2.808 . . . . 0.0 114.779 172.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 4.9 m-85 -81.15 -28.24 35.13 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.075 1.35 . . . . 0.0 112.442 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.79 -83.56 0.31 Allowed Glycine 0 CA--C 1.534 1.271 0 C-N-CA 123.887 0.756 . . . . 0.0 113.095 172.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -81.36 166.03 18.35 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.586 2.858 . . . . 0.0 113.253 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mtp -155.11 97.27 1.91 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 129.64 3.176 . . . . 0.0 104.772 166.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.5 -23.06 15.69 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 125.483 1.513 . . . . 0.0 111.847 -168.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.43 156.82 32.84 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.952 1.701 . . . . 0.0 110.188 167.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.418 HG13 HG22 ' A' ' 70' ' ' VAL . 2.3 t -155.76 78.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 125.494 1.518 . . . . 0.0 107.695 -166.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.73 122.38 24.64 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 174.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.486 ' C ' HD22 ' A' ' 64' ' ' LEU . 49.5 mt -130.41 123.86 56.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.315 1.046 . . . . 0.0 110.004 -174.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.486 HD22 ' C ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -132.97 -175.13 3.68 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 127.637 2.375 . . . . 0.0 110.066 -169.146 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -52.21 46.07 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.33 1 C-N-CA 132.417 4.287 . . . . 0.0 118.206 -173.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.72 24.37 9.31 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 126.373 1.939 . . . . 0.0 112.589 -168.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -136.19 148.75 48.28 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.83 0.852 . . . . 0.0 111.019 -177.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.04 136.19 35.02 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.615 1.166 . . . . 0.0 109.5 169.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -126.45 82.64 2.09 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 126.429 1.891 . . . . 0.0 106.023 174.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.574 HG21 ' CE2' ' A' ' 52' ' ' PHE . 1.8 t -75.57 164.02 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 113.192 -1.822 . . . . 0.0 108.259 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -155.66 145.13 21.02 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 120.95 -1.094 . . . . 0.0 108.965 -168.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.614 ' CE2' HD21 ' A' ' 34' ' ' LEU . 10.6 m-85 -127.61 171.34 11.74 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.999 1.32 . . . . 0.0 111.937 178.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -109.11 10.02 26.09 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.202 1.001 . . . . 0.0 113.019 173.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -131.67 111.41 11.66 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.144 2.178 . . . . 0.0 108.617 -173.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.55 -30.39 69.74 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 120.283 -1.511 . . . . 0.0 113.019 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -65.81 -24.38 66.9 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.384 1.074 . . . . 0.0 113.327 172.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.412 ' HA ' ' HE2' ' A' ' 80' ' ' LYS . 52.9 p -76.16 -38.27 56.9 Favored 'General case' 0 CA--C 1.516 -0.334 0 O-C-N 121.387 -0.821 . . . . 0.0 111.509 178.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -66.85 -44.14 81.79 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.638 167.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.75 -51.72 54.09 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.688 1.131 . . . . 0.0 112.097 177.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' A' ' 77' ' ' SER . 0.2 OUTLIER -66.93 -42.86 84.6 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 118.133 -0.937 . . . . 0.0 112.472 174.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.11 79.28 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.437 1.017 . . . . 0.0 110.633 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.2 mt -56.54 -61.12 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.448 0 C-N-CA 125.002 1.321 . . . . 0.0 110.028 172.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -60.96 -30.48 70.27 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -176.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -71.92 -43.83 64.67 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.962 1.705 . . . . 0.0 113.184 -177.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.506 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 8.6 p -150.08 4.21 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 -166.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -70.45 123.9 22.89 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 119.388 -2.07 . . . . 0.0 111.097 168.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.46 -10.11 72.93 Favored Glycine 0 N--CA 1.471 1.024 0 C-N-CA 125.711 1.624 . . . . 0.0 112.147 173.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.506 ' HE2' ' HA ' ' A' ' 85' ' ' VAL . 2.2 mppt? -75.34 142.61 43.15 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 127.489 2.315 . . . . 0.0 108.064 168.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.465 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 49.5 m -92.9 127.85 38.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.812 0.815 . . . . 0.0 111.953 -174.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -114.82 147.65 39.55 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.68 171.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 55.48 -59.45 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 127.69 2.396 . . . . 0.0 115.73 -174.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -156.54 -6.95 0.1 Allowed 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 127.127 2.171 . . . . 0.0 114.613 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -163.01 165.37 14.91 Favored Pre-proline 0 N--CA 1.482 1.152 0 CA-C-N 119.816 1.189 . . . . 0.0 111.69 -169.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.465 ' HA ' ' HA ' ' A' ' 89' ' ' SER . 60.9 Cg_endo -82.4 161.12 17.3 Favored 'Trans proline' 0 C--N 1.345 0.346 0 N-CA-C 118.301 2.385 . . . . 0.0 118.301 -171.075 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.42 ' CD1' ' HG2' ' A' ' 38' ' ' PRO . 1.0 OUTLIER -96.21 139.82 31.81 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 130.001 3.32 . . . . 0.0 111.482 -176.813 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -115.76 48.71 1.18 Allowed 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 124.693 2.187 . . . . 0.0 109.02 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.401 HG21 HG13 ' A' ' 85' ' ' VAL . 72.1 t -62.34 109.39 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 C-N-CA 125.975 1.71 . . . . 0.0 108.005 174.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.483 HG13 ' H ' ' A' ' 99' ' ' TYR 0.297 0.5 OUTLIER -156.1 -136.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 N-CA-C 117.539 2.422 . . . . 0.0 117.539 -164.658 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.538 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 16.0 m-30 -105.99 49.26 0.81 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.287 2.235 . . . . 0.0 105.91 165.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.624 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 25.2 m -47.99 145.98 2.75 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.395 1.878 . . . . 0.0 113.54 -171.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -137.05 144.07 42.99 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 123.34 1.543 . . . . 0.0 115.136 -170.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.7 tt -149.94 158.13 37.27 Favored Pre-proline 0 CA--C 1.56 1.334 1 C-N-CA 132.472 4.309 . . . . 0.0 104.539 175.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -53.15 11.22 0.02 OUTLIER 'Trans proline' 0 CA--C 1.556 1.616 0 C-N-CA 125.22 3.947 . . . . 0.0 121.312 -172.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.17 0 C-N-CA 126.487 1.915 . . . . 0.0 111.645 172.012 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 119.337 -0.363 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 70.19 -63.63 0.39 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.359 2.263 . . . . 0.0 113.694 171.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.414 ' H ' ' H ' ' A' ' 31' ' ' ASN . 58.0 m -166.96 -18.8 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 129.036 2.934 . . . . 0.0 111.915 173.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.414 ' H ' ' H ' ' A' ' 30' ' ' SER . 0.8 OUTLIER 64.13 -24.34 0.07 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 127.067 2.147 . . . . 0.0 116.139 -177.588 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.3 p -140.26 44.74 1.87 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 116.768 2.136 . . . . 0.0 116.768 -166.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.525 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 5.3 mpt_? -136.55 123.5 21.44 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 123.504 1.621 . . . . 0.0 114.999 176.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.564 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -100.31 105.04 16.54 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 120.839 -1.163 . . . . 0.0 110.368 -171.304 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.456 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 4.4 t80 -92.81 97.62 10.88 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 125.349 2.5 . . . . 0.0 106.821 -172.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.485 HG12 ' HE1' ' A' ' 39' ' ' PHE 0.286 40.2 t -126.53 91.72 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 111.627 -2.533 . . . . 0.0 107.213 -160.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.4 ptt85 -125.79 14.83 0.06 OUTLIER Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 118.419 2.748 . . . . 0.0 118.419 -166.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -71.9 -32.13 11.72 Favored 'Trans proline' 0 C--N 1.351 0.673 0 CA-C-N 122.437 1.906 . . . . 0.0 113.042 -177.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.485 ' HE1' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -79.9 157.67 73.69 Favored Pre-proline 0 C--N 1.323 -0.565 0 C-N-CA 125.918 1.687 . . . . 0.0 112.613 -169.258 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -81.83 -159.35 0.11 Allowed 'Trans proline' 0 CA--C 1.548 1.206 0 C-N-CA 122.446 2.097 . . . . 0.0 110.177 165.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.628 ' H ' HD22 ' A' ' 41' ' ' LEU . 1.8 mm? -52.35 -22.89 5.05 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.356 1.463 . . . . 0.0 113.741 174.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -71.28 31.28 0.05 OUTLIER 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 127.878 2.471 . . . . 0.0 115.245 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.9 p -128.67 139.79 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.238 1.415 . . . . 0.0 111.265 168.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -149.34 169.72 20.17 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.123 1.369 . . . . 0.0 109.338 -169.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -30.24 56.84 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -64.39 -33.15 75.18 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.145 -1.597 . . . . 0.0 114.568 172.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -81.96 -40.03 22.83 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 120.269 -1.519 . . . . 0.0 109.208 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.5 HD13 HD11 ' A' ' 63' ' ' ILE . 4.7 mt -65.49 -33.54 76.17 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.693 171.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -62.82 -44.76 95.3 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 119.784 -1.822 . . . . 0.0 111.84 169.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -58.28 -37.53 75.19 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.3 mt -91.98 -34.54 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.056 0.942 . . . . 0.0 112.892 -172.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.482 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 30.0 m-85 -107.76 -18.96 13.69 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.571 1.548 . . . . 0.0 113.581 -172.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.11 -33.13 29.49 Favored Glycine 0 CA--C 1.541 1.697 0 CA-C-O 117.688 -1.618 . . . . 0.0 114.643 168.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -62.32 -25.0 76.25 Favored 'Trans proline' 0 C--N 1.358 1.077 0 CA-C-N 121.538 2.669 . . . . 0.0 114.51 171.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.402 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.9 m-30 -84.5 -49.82 8.29 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.553 0.741 . . . . 0.0 111.312 -175.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.71 -73.1 0.29 Allowed Glycine 0 CA--C 1.54 1.602 0 CA-C-O 118.265 -1.297 . . . . 0.0 115.398 169.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -68.16 32.56 0.15 Allowed 'Trans proline' 0 CA--C 1.548 1.201 0 C-N-CA 124.498 3.466 . . . . 0.0 118.706 -173.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.4 ptm -57.18 69.3 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 127.742 2.417 . . . . 0.0 114.369 170.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -65.28 -36.93 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 130.219 3.408 . . . . 0.0 112.996 -178.348 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -147.77 156.39 42.69 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 121.934 0.873 . . . . 0.0 110.65 173.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.602 HG13 HG22 ' A' ' 70' ' ' VAL . 2.4 t -150.3 72.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 -168.172 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -71.1 111.02 6.13 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.859 -1.164 . . . . 0.0 107.859 -174.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.588 ' C ' HD12 ' A' ' 64' ' ' LEU . 42.6 mt -120.1 123.14 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.375 1.07 . . . . 0.0 111.985 -168.239 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.588 HD12 ' C ' ' A' ' 63' ' ' ILE . 5.0 mp -132.79 -178.72 5.07 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 129.004 2.921 . . . . 0.0 109.648 -171.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -56.53 50.56 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 130.898 3.679 . . . . 0.0 117.978 -171.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.75 13.75 17.55 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.255 1.407 . . . . 0.0 113.105 -169.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -134.24 144.56 48.48 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.835 0.826 . . . . 0.0 111.659 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -128.79 131.63 47.81 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 126.66 1.984 . . . . 0.0 107.059 169.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.482 ' HE1' HD13 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -122.74 82.4 1.98 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 172.462 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.602 HG22 HG13 ' A' ' 61' ' ' VAL . 1.7 t -68.94 158.2 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.11 -1.404 . . . . 0.0 107.784 175.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -154.62 142.04 19.65 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 120.964 -1.085 . . . . 0.0 108.443 -168.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.564 ' CE2' HD21 ' A' ' 34' ' ' LEU . 6.1 m-85 -124.75 163.79 21.35 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.776 0.673 . . . . 0.0 111.897 177.081 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -102.95 7.28 39.21 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.774 0.83 . . . . 0.0 112.641 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -148.02 137.51 22.31 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.395 1.478 . . . . 0.0 110.133 -168.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.05 -29.54 49.35 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 116.463 2.024 . . . . 0.0 116.463 -169.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.1 -32.44 73.59 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 120.458 1.481 . . . . 0.0 112.026 175.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.1 p -59.39 -40.9 88.03 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.825 0.85 . . . . 0.0 112.17 174.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.83 -45.86 56.14 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.508 -0.758 . . . . 0.0 111.03 175.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.52 -47.17 63.4 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 123.76 0.824 . . . . 0.0 111.849 174.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -69.68 -41.72 75.08 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-O 117.574 -1.203 . . . . 0.0 112.481 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.26 -44.67 84.12 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.08 1.309 . . . . 0.0 110.402 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.407 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 14.4 mt -53.73 -59.64 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 124.624 1.17 . . . . 0.0 110.398 172.494 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -63.97 -25.77 68.28 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -75.89 -41.19 52.77 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.606 1.563 . . . . 0.0 112.574 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.699 HG13 HG21 ' A' ' 97' ' ' VAL . 7.8 p -149.58 -0.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -166.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 12.8 t60 -67.32 120.13 13.33 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 119.359 -2.088 . . . . 0.0 112.556 169.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.35 -2.62 87.48 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.824 1.202 . . . . 0.0 112.176 172.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.68 143.39 40.09 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.787 2.035 . . . . 0.0 107.753 169.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.9 p -91.55 102.64 15.29 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.594 1.158 . . . . 0.0 112.581 -169.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.526 ' HB2' HD21 ' A' ' 95' ' ' LEU . 8.6 t80 -100.5 141.9 32.72 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.702 -0.624 . . . . 0.0 111.866 173.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 53.21 -56.46 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 129.271 3.028 . . . . 0.0 117.039 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -152.63 -10.38 0.18 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.735 2.014 . . . . 0.0 114.123 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -157.4 161.94 28.31 Favored Pre-proline 0 N--CA 1.474 0.728 0 CA-C-N 119.613 1.097 . . . . 0.0 111.988 -171.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.39 149.16 27.32 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 121.132 1.221 . . . . 0.0 114.702 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.543 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.4 mm? -70.23 161.59 30.02 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.05 2.14 . . . . 0.0 113.714 173.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -130.61 48.89 2.36 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 124.835 2.255 . . . . 0.0 109.662 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.699 HG21 HG13 ' A' ' 85' ' ' VAL . 53.1 t -65.26 98.08 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 127.778 2.431 . . . . 0.0 106.682 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.939 HG13 ' H ' ' A' ' 99' ' ' TYR 0.278 1.5 p -157.12 -112.88 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 121.267 1.849 . . . . 0.0 112.958 -163.688 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.939 ' H ' HG13 ' A' ' 98' ' ' VAL . 5.4 m-85 -119.61 12.18 12.22 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 128.798 2.839 . . . . 0.0 110.624 174.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.525 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.37 28.9 t 39.88 53.82 2.61 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 129.837 3.255 . . . . 0.0 118.281 -175.486 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -156.83 142.87 17.97 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.591 1.557 . . . . 0.0 108.057 165.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 93.5 mt -52.54 157.86 2.33 Favored Pre-proline 0 CA--C 1.553 1.07 0 C-N-CA 125.002 1.321 . . . . 0.0 111.828 171.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -66.85 2.09 2.32 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 123.741 2.961 . . . . 0.0 114.935 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 C-N-CA 126.964 2.105 . . . . 0.0 109.609 170.215 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 119.905 -0.093 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 tp -151.54 178.5 9.25 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.204 1.401 . . . . 0.0 110.51 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 m -66.04 -21.94 66.41 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -170.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.522 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.8 OUTLIER 55.29 6.15 0.15 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.653 1.981 . . . . 0.0 115.608 -168.535 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.3 p -149.64 16.33 0.89 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 118.016 2.599 . . . . 0.0 118.016 -162.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.422 ' CB ' ' HB3' ' A' ' 100' ' ' SER . 56.1 mtt85 -137.5 127.86 26.43 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 125.469 2.557 . . . . 0.0 116.696 -166.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.507 ' HA ' ' H ' ' A' ' 98' ' ' VAL . 0.2 OUTLIER -100.25 97.19 8.01 Favored 'General case' 0 N--CA 1.426 -1.656 0 CA-C-N 113.174 -1.83 . . . . 0.0 110.7 -168.319 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -92.98 94.9 9.16 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 124.318 2.008 . . . . 0.0 110.067 -169.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -124.97 127.31 72.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 123.504 1.621 . . . . 0.0 108.363 -173.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.3 ptt85 -154.24 27.7 0.04 OUTLIER Pre-proline 0 CA--C 1.547 0.85 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -163.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.61 -30.32 6.45 Favored 'Trans proline' 0 C--N 1.354 0.828 0 CA-C-N 121.682 1.637 . . . . 0.0 112.669 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.02 163.75 66.12 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 126.075 1.75 . . . . 0.0 113.643 -168.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -84.54 -163.18 0.18 Allowed 'Trans proline' 0 CA--C 1.55 1.305 0 C-N-CA 123.545 2.83 . . . . 0.0 109.206 165.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 mp -55.29 -18.91 7.14 Favored 'General case' 0 CA--C 1.553 1.076 0 O-C-N 120.317 -1.489 . . . . 0.0 114.098 175.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.69 -17.15 63.83 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.443 2.297 . . . . 0.0 115.951 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.82 143.93 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 122.153 2.251 . . . . 0.0 110.738 170.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.27 173.46 11.94 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.321 0.582 . . . . 0.0 111.233 171.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.55 -27.97 18.89 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 176.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.6 m -73.96 -29.91 62.25 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.788 1.235 . . . . 0.0 113.126 175.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -75.1 -42.0 57.5 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 123.245 1.498 . . . . 0.0 108.559 176.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.6 mt -67.88 -32.66 73.31 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 114.074 -1.421 . . . . 0.0 109.882 173.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.63 -42.05 98.21 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 119.891 -1.756 . . . . 0.0 112.244 170.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -60.65 -36.95 79.96 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 173.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.0 mt -91.4 -32.97 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.848 0.859 . . . . 0.0 113.101 -173.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -109.47 -16.19 14.05 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.65 1.98 . . . . 0.0 112.864 -171.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.18 -33.25 37.72 Favored Glycine 0 CA--C 1.544 1.891 0 CA-C-O 117.319 -1.823 . . . . 0.0 114.366 167.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.88 -28.67 86.75 Favored 'Trans proline' 0 C--N 1.353 0.809 0 CA-C-N 121.701 2.751 . . . . 0.0 113.843 170.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -79.71 -55.06 5.28 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.595 1.158 . . . . 0.0 108.867 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.74 -67.75 0.33 Allowed Glycine 0 CA--C 1.535 1.323 0 N-CA-C 117.502 1.761 . . . . 0.0 117.502 167.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -79.24 27.11 0.53 Allowed 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.986 3.124 . . . . 0.0 116.077 -166.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -42.5 97.16 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 126.24 1.816 . . . . 0.0 112.292 172.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.6 -30.62 16.26 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 128.24 2.616 . . . . 0.0 111.306 -169.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -143.45 156.18 44.57 Favored 'General case' 0 CA--C 1.513 -0.47 0 C-N-CA 123.818 0.847 . . . . 0.0 110.062 169.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.6 t -151.15 63.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 -167.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -71.01 110.57 5.78 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -172.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.63 ' C ' HD12 ' A' ' 64' ' ' LEU . 11.1 mm -107.38 127.17 63.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.954 1.302 . . . . 0.0 109.588 -174.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.63 HD12 ' C ' ' A' ' 63' ' ' ILE . 0.5 OUTLIER -134.4 168.29 19.19 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 126.137 1.775 . . . . 0.0 108.667 176.142 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.67 96.27 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.937 1.295 . . . . 0.0 113.874 168.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.02 5.72 81.0 Favored Glycine 0 CA--C 1.536 1.353 0 N-CA-C 115.549 0.98 . . . . 0.0 115.549 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -130.16 148.97 52.06 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 118.661 1.23 . . . . 0.0 113.202 174.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.47 116.65 11.81 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 126.983 2.113 . . . . 0.0 107.798 172.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.528 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -109.68 82.54 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 175.363 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.405 ' HB ' ' HB2' ' A' ' 34' ' ' LEU . 1.6 t -70.1 159.92 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 114.217 -1.356 . . . . 0.0 107.417 171.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -157.66 153.31 26.53 Favored 'General case' 0 C--N 1.315 -0.927 0 O-C-N 120.779 -1.201 . . . . 0.0 109.219 -167.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.486 ' CE2' HD21 ' A' ' 34' ' ' LEU . 28.0 m-85 -129.36 168.21 16.6 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.852 1.261 . . . . 0.0 110.769 174.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -100.68 5.2 43.7 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 176.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.85 173.13 11.82 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.013 1.725 . . . . 0.0 110.86 170.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.81 -6.9 19.83 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 -171.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -72.91 -38.73 66.79 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.739 -1.226 . . . . 0.0 111.148 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.5 p -58.76 -46.85 86.53 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 126.872 2.069 . . . . 0.0 111.416 170.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.09 79.04 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.118 172.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.72 -49.51 65.26 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 119.142 0.883 . . . . 0.0 112.516 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.5 pttt -67.5 -43.35 81.1 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 118.064 -0.969 . . . . 0.0 113.257 175.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.54 -43.03 84.08 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.347 0.976 . . . . 0.0 109.89 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.0 mt -55.02 -60.41 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.25 0 C-N-CA 124.598 1.159 . . . . 0.0 110.205 173.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -62.3 -29.32 70.35 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.05 -41.97 73.48 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.038 1.335 . . . . 0.0 113.094 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.468 HG13 HG21 ' A' ' 97' ' ' VAL . 7.0 p -152.68 0.06 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -166.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -67.34 121.37 15.57 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 119.152 -2.218 . . . . 0.0 110.169 168.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.53 2.29 57.63 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.411 1.005 . . . . 0.0 112.409 172.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -96.06 130.46 43.07 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 127.149 2.18 . . . . 0.0 108.757 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.3 p -74.53 101.39 4.16 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 125.974 1.71 . . . . 0.0 112.211 -171.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -103.85 145.72 29.7 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.559 -0.713 . . . . 0.0 110.419 171.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 55.73 -55.28 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 128.351 2.66 . . . . 0.0 116.952 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -154.41 -10.5 0.13 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.808 2.043 . . . . 0.0 114.242 174.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -159.59 162.85 24.5 Favored Pre-proline 0 N--CA 1.474 0.759 0 CA-C-N 120.311 1.414 . . . . 0.0 112.054 -170.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.54 150.7 36.24 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 N-CA-C 116.014 1.505 . . . . 0.0 116.014 -176.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.33 143.3 38.88 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 128.793 2.837 . . . . 0.0 112.741 177.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -118.9 48.47 1.46 Allowed 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 125.625 2.631 . . . . 0.0 109.62 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.468 HG21 HG13 ' A' ' 85' ' ' VAL . 57.5 t -61.32 103.93 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 CA-C-N 112.956 -1.929 . . . . 0.0 107.749 176.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.73 HG13 ' H ' ' A' ' 99' ' ' TYR 0.303 0.5 OUTLIER -153.03 -128.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 117.733 -1.587 . . . . 0.0 114.156 -165.038 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.73 ' H ' HG13 ' A' ' 98' ' ' VAL . 15.0 m-30 -111.65 24.15 13.07 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 127.534 2.334 . . . . 0.0 110.029 169.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.422 ' HB3' ' CB ' ' A' ' 33' ' ' ARG 0.293 29.3 t 27.9 91.37 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 130.869 3.668 . . . . 0.0 119.304 -169.747 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -73.96 177.92 5.3 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.402 1.081 . . . . 0.0 109.16 164.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.547 ' H ' ' HD2' ' A' ' 103' ' ' PRO . 36.8 tp -153.48 -47.41 0.01 OUTLIER Pre-proline 0 CA--C 1.555 1.156 0 CA-C-O 117.463 -1.256 . . . . 0.0 114.183 169.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.547 ' HD2' ' H ' ' A' ' 102' ' ' LEU . 67.4 Cg_endo -80.79 -5.06 13.06 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 122.445 2.097 . . . . 0.0 114.134 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.21 0 C-N-CA 127.954 2.502 . . . . 0.0 110.109 -179.881 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 120.848 0.356 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.26 -171.18 3.84 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.906 2.082 . . . . 0.0 109.147 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.3 m -57.29 -26.79 61.42 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 174.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.558 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 20.0 m-20 56.19 11.41 0.77 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 127.317 2.247 . . . . 0.0 114.888 -172.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.0 p -150.31 17.77 0.84 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 117.376 2.361 . . . . 0.0 117.376 -164.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.463 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 49.1 mtt180 -138.75 134.24 33.24 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 123.587 2.903 . . . . 0.0 117.279 -168.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.748 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -110.67 103.08 11.6 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 113.897 -1.501 . . . . 0.0 109.582 -169.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -88.11 100.95 13.34 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 128.218 2.607 . . . . 0.0 105.0 -174.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.478 HG12 ' CE1' ' A' ' 39' ' ' PHE . 22.4 t -134.1 98.45 2.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 113.673 -1.603 . . . . 0.0 109.037 -160.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -132.19 23.75 0.1 OUTLIER Pre-proline 0 CA--C 1.55 0.965 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 -172.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.29 -11.24 24.78 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 CA-C-N 122.162 1.808 . . . . 0.0 113.915 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.478 ' CE1' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -103.6 162.77 18.99 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 125.477 1.511 . . . . 0.0 113.241 -168.706 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.38 -171.73 1.3 Allowed 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 122.838 2.358 . . . . 0.0 111.463 167.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.722 ' H ' HD22 ' A' ' 41' ' ' LEU . 1.5 mm? -47.48 -28.64 2.27 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.583 1.953 . . . . 0.0 113.635 176.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.7 -14.81 62.6 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.153 1.781 . . . . 0.0 115.11 -172.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.09 144.85 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 120.425 1.466 . . . . 0.0 109.031 168.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -150.37 170.86 18.02 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 124.246 1.018 . . . . 0.0 109.25 -175.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -54.42 -30.08 51.28 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.99 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -61.52 -36.6 81.0 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 120.343 1.428 . . . . 0.0 114.725 172.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -80.8 -41.88 22.61 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.398 1.479 . . . . 0.0 108.727 -177.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.495 HD13 HD11 ' A' ' 63' ' ' ILE . 4.6 mt -63.48 -34.92 78.82 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.97 170.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -64.13 -41.93 97.02 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 119.546 -1.971 . . . . 0.0 112.051 172.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -60.58 -38.84 85.9 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 173.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.0 mt -85.55 -37.55 12.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 123.762 0.825 . . . . 0.0 112.782 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.46 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 27.7 m-85 -106.3 -20.01 13.52 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.57 1.548 . . . . 0.0 113.516 -169.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.39 -33.12 31.62 Favored Glycine 0 CA--C 1.543 1.81 0 CA-C-O 117.568 -1.685 . . . . 0.0 115.034 168.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.09 -26.73 83.25 Favored 'Trans proline' 0 C--N 1.359 1.08 0 CA-C-N 121.489 2.645 . . . . 0.0 114.441 171.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.6 m-30 -81.48 -48.61 11.62 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.995 0.918 . . . . 0.0 110.725 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.02 -76.76 0.39 Allowed Glycine 0 CA--C 1.533 1.205 0 N-CA-C 115.757 1.063 . . . . 0.0 115.757 168.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -85.93 48.48 2.08 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 124.025 3.15 . . . . 0.0 114.488 -168.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.0 ptm -60.26 67.04 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 128.044 2.538 . . . . 0.0 112.794 168.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -32.55 67.38 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 130.053 3.341 . . . . 0.0 113.503 -176.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -150.32 160.15 43.93 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 122.247 1.022 . . . . 0.0 110.819 172.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.603 HG13 HG22 ' A' ' 70' ' ' VAL . 1.9 t -149.3 71.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 -170.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -71.14 103.94 2.91 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 -172.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.546 ' C ' HD12 ' A' ' 64' ' ' LEU . 36.3 mt -114.67 123.96 70.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.482 1.113 . . . . 0.0 112.299 -166.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.546 HD12 ' C ' ' A' ' 63' ' ' ILE . 5.2 mp -129.87 -175.78 3.72 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 129.029 2.932 . . . . 0.0 109.342 -173.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -58.64 56.07 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 129.568 3.147 . . . . 0.0 117.327 -170.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.74 -2.82 27.48 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.665 1.603 . . . . 0.0 113.13 -170.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -119.78 148.49 43.36 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.182 0.991 . . . . 0.0 110.778 -169.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.56 129.42 37.01 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 126.352 1.861 . . . . 0.0 107.428 169.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.439 ' CE2' HD13 ' A' ' 64' ' ' LEU . 3.6 m-85 -114.05 82.94 1.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 104.45 -2.426 . . . . 0.0 104.45 167.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.607 ' HB ' HD23 ' A' ' 34' ' ' LEU . 1.9 t -65.11 151.3 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 174.147 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -147.68 145.23 28.82 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -168.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.748 ' CE2' HD21 ' A' ' 34' ' ' LEU . 18.8 m-85 -123.32 166.37 15.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.947 0.879 . . . . 0.0 112.015 -178.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -105.24 13.01 31.21 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.015 1.326 . . . . 0.0 111.422 169.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -150.93 133.41 15.55 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.864 2.065 . . . . 0.0 110.164 -170.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.59 -17.71 47.34 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.993 0.917 . . . . 0.0 113.242 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -64.59 -37.91 89.2 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 169.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.3 t -65.72 -39.17 90.92 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 118.756 -0.64 . . . . 0.0 111.202 172.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.61 -49.58 72.78 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.084 0.856 . . . . 0.0 111.644 173.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.62 -49.98 64.02 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.348 1.059 . . . . 0.0 112.81 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -38.97 70.03 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 117.963 -1.018 . . . . 0.0 112.972 177.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.66 81.78 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.373 0.988 . . . . 0.0 109.308 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.464 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 17.8 mt -54.12 -58.45 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 124.146 0.978 . . . . 0.0 110.721 172.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -63.31 -21.15 66.08 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -87.75 -36.71 17.18 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.34 1.856 . . . . 0.0 112.983 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.697 HG13 HG21 ' A' ' 97' ' ' VAL . 12.4 p -152.52 -3.06 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -167.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.464 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 14.5 t60 -65.33 119.16 10.44 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 118.962 -2.336 . . . . 0.0 113.259 169.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.74 10.18 83.54 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 123.924 0.773 . . . . 0.0 113.31 168.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -75.09 -62.8 1.43 Allowed 'General case' 0 C--N 1.343 0.288 0 C-N-CA 125.837 1.655 . . . . 0.0 113.33 -169.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.2 t 120.54 114.49 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 131.274 3.83 . . . . 0.0 110.375 -178.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.509 ' HB2' HD21 ' A' ' 95' ' ' LEU . 16.5 t80 -123.87 148.17 47.02 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.004 1.322 . . . . 0.0 110.757 172.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.08 -59.72 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.739 2.416 . . . . 0.0 115.026 -170.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -156.1 -3.91 0.12 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.575 1.95 . . . . 0.0 114.566 170.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -156.28 156.23 29.98 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 119.82 1.191 . . . . 0.0 112.683 -167.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.79 166.07 27.6 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.544 2.163 . . . . 0.0 116.185 -171.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.652 ' HB3' HG23 ' A' ' 97' ' ' VAL . 2.5 mm? -100.42 156.87 17.02 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 128.161 2.584 . . . . 0.0 112.077 -174.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -119.13 50.19 1.25 Allowed 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 124.793 2.235 . . . . 0.0 110.008 172.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.697 HG21 HG13 ' A' ' 85' ' ' VAL . 60.3 t -64.04 99.76 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 126.8 2.04 . . . . 0.0 107.125 177.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.853 HG13 ' H ' ' A' ' 99' ' ' TYR 0.295 0.4 OUTLIER -155.32 -118.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.242 0.692 0 CA-C-N 121.02 1.736 . . . . 0.0 112.391 -164.999 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.853 ' H ' HG13 ' A' ' 98' ' ' VAL . 10.3 m-85 -115.73 9.2 15.12 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.708 2.403 . . . . 0.0 111.69 169.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.463 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.38 40.0 t 42.96 -176.92 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 129.434 3.093 . . . . 0.0 116.606 -171.526 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -167.58 -174.45 2.5 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 128.053 2.541 . . . . 0.0 111.122 -174.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.6 mt -56.59 150.51 34.93 Favored Pre-proline 0 CA--C 1.555 1.142 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.57 168.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -53.88 5.45 0.03 OUTLIER 'Trans proline' 0 CA--C 1.55 1.308 1 C-N-CA 126.191 4.594 . . . . 0.0 120.05 -176.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.189 0 C-N-CA 126.366 1.866 . . . . 0.0 113.261 175.635 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.417 ' N ' HD21 ' A' ' 31' ' ' ASN . 9.6 pm0 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 119.949 -0.072 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.32 -73.84 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 127.76 2.424 . . . . 0.0 113.913 -178.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -166.28 -8.73 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 129.206 3.002 . . . . 0.0 112.289 175.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.492 ' HA ' ' CD1' ' A' ' 99' ' ' TYR 0.343 1.4 p30 45.77 -13.27 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 121.381 3.845 . . . . 0.0 121.381 176.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.435 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 70.9 p -146.48 27.83 1.1 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 -166.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.591 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 0.1 OUTLIER -134.27 125.19 27.21 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 117.022 2.23 . . . . 0.0 117.022 -165.028 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.847 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -104.12 109.45 21.26 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 120.889 -1.132 . . . . 0.0 111.293 -169.324 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.533 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 1.2 t80 -97.9 98.9 10.2 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 124.978 2.323 . . . . 0.0 106.734 -171.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.54 HG21 ' HZ ' ' A' ' 52' ' ' PHE 0.287 33.1 t -126.13 99.54 5.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 111.838 -2.437 . . . . 0.0 108.899 -158.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.472 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 16.4 ptt-85 -137.08 -2.88 0.03 OUTLIER Pre-proline 0 CA--C 1.556 1.179 0 N-CA-C 119.3 3.074 . . . . 0.0 119.3 -168.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.472 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 6.3 Cg_exo -48.66 -42.51 36.05 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 123.777 2.985 . . . . 0.0 117.419 173.176 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.79 152.32 69.07 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 125.19 1.396 . . . . 0.0 112.087 178.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -73.99 -151.3 0.03 OUTLIER 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 121.901 1.734 . . . . 0.0 109.351 165.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.804 ' H ' HD22 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -58.15 -17.73 20.53 Favored 'General case' 0 CA--C 1.553 1.091 0 O-C-N 120.348 -1.47 . . . . 0.0 113.262 172.306 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.32 37.12 0.07 Allowed 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 129.303 3.041 . . . . 0.0 116.063 -175.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.2 p -136.46 147.46 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.448 1.499 . . . . 0.0 111.237 171.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -158.94 -175.08 5.08 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.409 1.084 . . . . 0.0 111.235 172.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.11 -22.28 50.11 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 -175.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 p -71.76 -33.09 68.37 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 121.011 1.732 . . . . 0.0 114.081 171.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.6 -42.5 22.13 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.663 1.185 . . . . 0.0 108.519 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.61 HD12 HD11 ' A' ' 63' ' ' ILE . 28.8 mt -61.08 -36.11 78.76 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.917 168.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -62.38 -41.69 98.83 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 119.028 -2.295 . . . . 0.0 111.898 174.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -61.47 -38.04 85.8 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 173.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.2 mt -86.93 -37.73 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.932 0.893 . . . . 0.0 113.022 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.54 ' HZ ' HG21 ' A' ' 36' ' ' VAL . 30.0 m-85 -108.59 -22.95 12.04 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.763 2.025 . . . . 0.0 113.277 -169.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.83 -33.36 35.31 Favored Glycine 0 CA--C 1.544 1.871 0 CA-C-O 117.564 -1.687 . . . . 0.0 114.506 169.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.89 -27.28 84.56 Favored 'Trans proline' 0 C--N 1.356 0.926 0 CA-C-N 121.391 2.596 . . . . 0.0 114.503 169.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.415 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.8 m-30 -78.57 -48.36 15.35 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.868 0.867 . . . . 0.0 110.237 179.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.64 -74.17 0.41 Allowed Glycine 0 CA--C 1.539 1.572 0 N-CA-C 119.287 2.475 . . . . 0.0 119.287 165.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.4 -37.08 3.46 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 123.263 2.642 . . . . 0.0 117.914 -165.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.6 mtp 33.96 53.48 0.51 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 126.441 1.896 . . . . 0.0 114.897 -175.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.85 -30.24 44.6 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.204 1.802 . . . . 0.0 113.319 -172.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -152.0 156.55 40.21 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 122.276 1.036 . . . . 0.0 111.497 169.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.2 t -151.66 70.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 -167.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -75.34 121.71 22.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.61 HD11 HD12 ' A' ' 48' ' ' LEU . 14.9 mt -132.52 129.36 58.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-O 122.574 1.178 . . . . 0.0 110.395 -173.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.524 HD12 ' C ' ' A' ' 63' ' ' ILE . 5.0 mp -123.65 172.62 8.67 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 128.875 2.87 . . . . 0.0 107.62 -174.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -29.71 -58.25 0.17 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.428 1.891 . . . . 0.0 115.138 -169.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.96 38.68 1.68 Allowed Glycine 0 CA--C 1.532 1.127 0 C-N-CA 126.011 1.767 . . . . 0.0 113.233 169.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -138.59 153.56 48.67 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.767 1.227 . . . . 0.0 111.377 -178.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -137.25 141.2 42.01 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 126.236 1.814 . . . . 0.0 109.829 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.496 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -133.94 79.59 1.82 Allowed 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 105.561 -2.015 . . . . 0.0 105.561 177.369 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.57 ' HB ' HD23 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -70.53 158.79 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 112.288 -2.233 . . . . 0.0 106.7 174.438 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -156.89 150.07 24.03 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 120.999 -1.063 . . . . 0.0 108.863 -167.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.847 ' CE2' HD21 ' A' ' 34' ' ' LEU . 26.5 m-85 -131.62 159.77 37.31 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.707 1.203 . . . . 0.0 110.561 176.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -92.37 -3.58 55.11 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.0 163.16 33.44 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.188 1.395 . . . . 0.0 112.201 177.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.1 1.71 55.18 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -169.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -87.78 -46.03 9.81 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 124.473 1.109 . . . . 0.0 112.801 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -60.72 -36.26 78.38 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 168.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.435 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -65.71 -54.48 26.78 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 118.846 -0.597 . . . . 0.0 111.957 174.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.79 -47.06 71.15 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 123.833 0.853 . . . . 0.0 112.067 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.1 -41.7 77.1 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 117.746 -1.121 . . . . 0.0 112.756 175.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.86 77.51 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.761 1.164 . . . . 0.0 110.165 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.7 mt -51.91 -59.93 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.352 1.061 . . . . 0.0 110.679 172.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -64.3 -25.8 68.21 Favored 'General case' 0 CA--C 1.551 0.991 0 O-C-N 121.319 -0.863 . . . . 0.0 113.248 -177.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -79.23 -39.2 33.76 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.551 1.941 . . . . 0.0 112.848 -178.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.623 HG13 HG21 ' A' ' 97' ' ' VAL . 14.4 p -149.14 -3.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 -167.184 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -66.71 124.94 24.29 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 119.413 -2.054 . . . . 0.0 111.929 169.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.02 -3.38 87.32 Favored Glycine 0 N--CA 1.472 1.044 0 C-N-CA 123.87 0.747 . . . . 0.0 111.93 169.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -81.32 140.61 34.69 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.949 2.1 . . . . 0.0 108.328 169.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.7 p -85.31 92.65 8.5 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 124.897 1.279 . . . . 0.0 112.505 -169.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.55 ' HB2' HD21 ' A' ' 95' ' ' LEU . 8.7 t80 -84.26 137.76 33.3 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.868 -0.52 . . . . 0.0 112.015 173.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.1 -55.1 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 129.117 2.967 . . . . 0.0 116.479 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -152.88 -11.67 0.16 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.25 2.22 . . . . 0.0 113.203 -176.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -165.84 164.4 11.71 Favored Pre-proline 0 N--CA 1.479 1.003 0 CA-C-N 120.476 1.489 . . . . 0.0 112.966 -172.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -80.84 145.74 16.07 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 N-CA-C 116.211 1.581 . . . . 0.0 116.211 -174.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.668 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.9 mm? -62.68 161.67 11.95 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.314 2.245 . . . . 0.0 113.593 172.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -126.57 48.57 2.13 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-O 124.23 1.967 . . . . 0.0 109.434 169.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.668 HG23 ' HB3' ' A' ' 95' ' ' LEU . 53.9 t -64.23 99.07 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 127.635 2.374 . . . . 0.0 107.231 177.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.829 HG13 ' H ' ' A' ' 99' ' ' TYR 0.258 1.3 p -158.29 -122.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 120.878 1.672 . . . . 0.0 114.612 -163.283 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.829 ' H ' HG13 ' A' ' 98' ' ' VAL . 6.7 m-85 -114.49 67.37 0.68 Allowed 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 130.265 3.426 . . . . 0.0 106.078 168.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.591 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 15.3 t -51.67 129.22 25.55 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.668 -1.27 . . . . 0.0 110.133 177.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.1 mmtm -59.79 142.38 53.42 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.711 1.205 . . . . 0.0 111.063 -167.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 96.1 mt -48.11 -37.09 12.81 Favored Pre-proline 0 CA--C 1.556 1.176 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 -172.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -60.96 -16.93 48.34 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 124.045 3.163 . . . . 0.0 117.281 173.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.215 0 C-N-CA 125.962 1.705 . . . . 0.0 111.662 -169.603 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 110.552 -0.166 . . . . 0.0 110.552 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.63 177.62 8.36 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.001 1.72 . . . . 0.0 110.154 -177.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -55.35 -27.22 45.84 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.054 1.742 . . . . 0.0 114.484 173.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.469 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 1.0 OUTLIER 54.4 8.09 0.18 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 128.019 2.528 . . . . 0.0 115.525 -170.621 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.6 p -147.74 12.9 1.02 Allowed 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 117.234 2.309 . . . . 0.0 117.234 -163.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 43.3 mtt-85 -130.82 129.39 42.31 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 119.542 3.164 . . . . 0.0 119.542 -165.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.612 HD21 ' CZ ' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -100.53 101.94 12.99 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 114.197 -1.365 . . . . 0.0 110.354 -172.3 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.433 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 1.5 t80 -95.41 101.11 12.81 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 124.195 1.95 . . . . 0.0 109.688 -174.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.403 ' CG1' ' HG ' ' A' ' 95' ' ' LEU . 28.0 m -133.06 129.69 57.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.45 -1.25 . . . . 0.0 108.7 -168.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -151.61 17.57 0.02 OUTLIER Pre-proline 0 CA--C 1.552 1.031 0 N-CA-C 117.475 2.398 . . . . 0.0 117.475 -165.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 60.5 Cg_endo -73.76 -25.91 14.1 Favored 'Trans proline' 0 C--N 1.353 0.807 0 CA-C-N 122.679 1.992 . . . . 0.0 113.756 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.437 ' CD1' HG11 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -74.76 157.47 85.79 Favored Pre-proline 0 CA--C 1.538 0.488 0 C-N-CA 125.745 1.618 . . . . 0.0 113.003 -169.763 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.66 -175.69 1.21 Allowed 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.215 1.943 . . . . 0.0 110.364 166.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.653 ' H ' HD22 ' A' ' 41' ' ' LEU . 1.1 mm? -58.83 -16.46 17.31 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.048 1.339 . . . . 0.0 113.857 -176.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.86 -17.98 63.4 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.246 2.219 . . . . 0.0 115.897 -175.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.437 HG11 ' CD1' ' A' ' 39' ' ' PHE . 6.8 p -60.14 141.55 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 CA-C-N 120.845 1.657 . . . . 0.0 112.825 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -141.89 173.59 11.37 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.966 1.306 . . . . 0.0 111.23 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -51.06 -30.55 16.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.62 1.168 . . . . 0.0 113.21 173.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.88 -33.69 76.16 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 173.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -83.81 -39.94 19.35 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.61 1.564 . . . . 0.0 108.482 -176.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.5 mt -62.72 -38.51 90.74 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.07 168.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -59.93 -41.76 92.49 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.724 -1.235 . . . . 0.0 112.719 172.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -59.68 -37.19 78.11 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 171.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.8 mt -80.17 -40.41 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.355 1.062 . . . . 0.0 112.457 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.585 ' CE2' HG21 ' A' ' 70' ' ' VAL . 55.3 m-85 -105.84 -25.11 12.3 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.348 1.859 . . . . 0.0 114.802 -169.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.72 -32.19 24.67 Favored Glycine 0 CA--C 1.54 1.654 0 CA-C-O 117.367 -1.796 . . . . 0.0 116.043 171.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.24 -24.94 79.87 Favored 'Trans proline' 0 C--N 1.361 1.23 0 CA-C-N 121.828 2.814 . . . . 0.0 114.141 173.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.6 m-85 -89.96 -44.13 10.09 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.752 1.221 . . . . 0.0 111.564 -177.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.61 -70.69 0.28 Allowed Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.133 1.349 . . . . 0.0 114.512 169.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -63.61 21.2 0.06 OUTLIER 'Trans proline' 0 CA--C 1.545 1.052 1 C-N-CA 125.515 4.144 . . . . 0.0 120.171 -173.116 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.419 ' HE3' ' HB2' ' A' ' 52' ' ' PHE . 2.7 ptm -49.08 108.91 0.21 Allowed 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 121.487 1.949 . . . . 0.0 109.702 168.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.51 ' HE2' ' C ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -128.28 -21.66 3.52 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.998 1.319 . . . . 0.0 113.631 -164.877 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.37 153.56 47.69 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.621 0.768 . . . . 0.0 109.984 165.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 t -153.67 77.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 124.447 1.099 . . . . 0.0 108.468 -166.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 127.97 34.96 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 169.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.469 ' C ' HD12 ' A' ' 64' ' ' LEU . 30.8 mt -133.79 123.96 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 122.396 1.093 . . . . 0.0 109.528 176.005 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.524 HD13 ' CE1' ' A' ' 69' ' ' PHE . 1.2 mp -122.24 172.0 8.61 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 127.376 2.27 . . . . 0.0 107.813 -177.184 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -12.4 -70.24 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 128.861 2.864 . . . . 0.0 114.648 -176.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.99 36.44 1.92 Allowed Glycine 0 CA--C 1.54 1.609 0 C-N-CA 127.11 2.29 . . . . 0.0 112.707 169.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -134.74 149.74 50.48 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.672 1.589 . . . . 0.0 110.664 -173.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -142.09 139.78 32.33 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.7 1.2 . . . . 0.0 111.423 -177.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.524 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -137.71 82.81 1.94 Allowed 'General case' 0 C--O 1.235 0.303 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 -174.876 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.585 HG21 ' CE2' ' A' ' 52' ' ' PHE . 1.5 t -84.54 158.8 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 113.674 -1.603 . . . . 0.0 108.353 -174.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -144.52 149.73 36.38 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.924 1.238 . . . . 0.0 110.325 -169.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.612 ' CZ ' HD21 ' A' ' 34' ' ' LEU . 22.9 m-85 -128.1 154.53 45.62 Favored 'General case' 0 C--O 1.231 0.084 0 N-CA-C 115.382 1.623 . . . . 0.0 115.382 -177.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.406 ' N ' ' HE2' ' A' ' 59' ' ' LYS . 10.0 pt-20 -87.74 -7.62 57.11 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.092 1.357 . . . . 0.0 113.041 177.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -129.02 128.66 44.1 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.496 1.519 . . . . 0.0 110.443 169.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.3 -18.55 61.64 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.737 -0.602 . . . . 0.0 111.919 169.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -66.86 -27.54 67.62 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.339 1.056 . . . . 0.0 113.015 170.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.518 ' HA ' ' CE ' ' A' ' 80' ' ' LYS . 12.5 t -76.34 -33.24 58.98 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 119.67 1.123 . . . . 0.0 111.827 169.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.36 -51.11 68.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 118.476 -0.774 . . . . 0.0 109.627 170.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.9 -52.24 25.59 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 124.932 1.293 . . . . 0.0 113.255 171.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.518 ' CE ' ' HA ' ' A' ' 77' ' ' SER . 1.5 ptpt -67.25 -44.74 78.64 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-O 118.731 -0.652 . . . . 0.0 112.129 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.3 -39.76 88.11 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.785 0.72 . . . . 0.0 110.38 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.465 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 16.7 mt -55.89 -59.81 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 123.581 0.752 . . . . 0.0 109.993 173.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -61.69 -31.86 72.03 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -76.81 -40.36 48.31 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.646 1.579 . . . . 0.0 113.191 -176.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.573 HG13 HG21 ' A' ' 97' ' ' VAL . 8.2 p -150.84 2.78 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -165.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.465 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 9.6 t60 -71.1 127.35 32.29 Favored 'General case' 0 N--CA 1.481 1.104 0 O-C-N 119.123 -2.236 . . . . 0.0 111.815 168.435 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.31 -9.27 67.68 Favored Glycine 0 N--CA 1.471 0.97 0 C-N-CA 125.444 1.497 . . . . 0.0 112.06 171.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.495 ' HE2' ' HA ' ' A' ' 85' ' ' VAL . 1.9 mppt? -74.24 137.98 43.36 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 127.596 2.358 . . . . 0.0 109.051 169.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.0 p -85.46 105.49 16.12 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 125.395 1.478 . . . . 0.0 111.743 -169.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -103.14 146.91 27.68 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.287 0.635 . . . . 0.0 110.245 173.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 59.84 -66.42 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.665 1.986 . . . . 0.0 114.797 -172.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.46 -2.97 0.06 Allowed 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 128.506 2.722 . . . . 0.0 113.587 -178.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -153.82 160.41 30.97 Favored Pre-proline 0 N--CA 1.486 1.355 0 C-N-CA 125.086 1.354 . . . . 0.0 111.02 -170.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -80.48 163.58 21.7 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.794 1.663 . . . . 0.0 115.56 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.6 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.5 mp -101.57 133.45 46.22 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 128.976 2.91 . . . . 0.0 111.911 -173.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -103.05 51.06 0.8 Allowed 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 125.09 2.376 . . . . 0.0 109.596 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.6 HG23 ' HB3' ' A' ' 95' ' ' LEU . 57.7 t -65.06 101.26 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.66 0 C-N-CA 126.851 2.06 . . . . 0.0 106.877 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.671 HG13 ' H ' ' A' ' 99' ' ' TYR 0.285 0.7 OUTLIER -154.26 -128.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 117.331 -1.748 . . . . 0.0 113.562 -164.194 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.671 ' H ' HG13 ' A' ' 98' ' ' VAL . 11.2 m-30 -107.53 17.34 22.82 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 127.268 2.227 . . . . 0.0 109.547 166.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.459 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.449 14.0 t 52.62 11.38 0.19 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 131.289 3.836 . . . . 0.0 119.485 -172.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -152.34 151.47 30.91 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.32 1.048 . . . . 0.0 109.863 167.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.4 mp -60.98 149.98 79.71 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.96 1.304 . . . . 0.0 112.641 -173.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.43 -3.7 11.49 Favored 'Trans proline' 0 CA--C 1.554 1.495 0 C-N-CA 123.761 2.974 . . . . 0.0 114.648 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 C-N-CA 126.699 2.0 . . . . 0.0 111.669 172.618 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.05 173.95 0.09 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.969 2.108 . . . . 0.0 113.896 -170.038 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.5 m -64.48 -23.66 67.35 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.688 1.995 . . . . 0.0 115.935 -176.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.477 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.8 OUTLIER 59.76 -11.49 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 127.371 2.268 . . . . 0.0 116.966 -169.683 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.6 p -138.88 22.69 2.64 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 117.524 2.416 . . . . 0.0 117.524 -165.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.546 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 21.8 mtt180 -133.14 141.36 48.1 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 121.698 2.044 . . . . 0.0 116.06 -167.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.769 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -114.74 109.89 18.88 Favored 'General case' 0 C--N 1.315 -0.931 0 O-C-N 120.271 -1.518 . . . . 0.0 111.436 -168.557 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.44 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 0.9 OUTLIER -94.59 102.14 14.05 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 -173.119 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.306 15.7 t -128.16 102.03 7.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-N 113.485 -1.689 . . . . 0.0 106.955 -160.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.471 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 19.4 ptt-85 -135.82 0.36 0.04 OUTLIER Pre-proline 0 CA--C 1.553 1.069 0 N-CA-C 121.022 3.712 . . . . 0.0 121.022 -165.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 59.3 Cg_exo -50.91 -36.04 51.61 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.149 2.566 . . . . 0.0 116.501 175.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -76.5 159.36 79.75 Favored Pre-proline 0 CA--C 1.536 0.412 0 C-N-CA 126.041 1.736 . . . . 0.0 113.964 -168.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -81.0 -167.15 0.47 Allowed 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.935 2.424 . . . . 0.0 111.467 166.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.71 ' H ' HD22 ' A' ' 41' ' ' LEU . 1.6 mm? -44.3 -28.16 0.5 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 127.113 2.165 . . . . 0.0 114.048 175.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.19 -22.24 66.87 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.844 2.057 . . . . 0.0 115.116 -173.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.0 p -68.73 133.83 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 120.896 1.68 . . . . 0.0 111.695 174.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -140.08 178.73 7.06 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.477 1.511 . . . . 0.0 109.267 176.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -22.68 29.81 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.2 m -74.51 -30.69 61.9 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.802 1.241 . . . . 0.0 113.072 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -83.8 -38.12 21.68 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.601 1.56 . . . . 0.0 107.876 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.576 HD12 HD11 ' A' ' 63' ' ' ILE . 55.5 mt -64.85 -34.87 79.4 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.082 167.079 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -61.05 -39.88 91.53 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 119.315 -2.116 . . . . 0.0 112.453 170.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.42 -39.67 80.41 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 171.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.2 mt -87.48 -41.76 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.638 1.175 . . . . 0.0 114.135 -176.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.447 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 56.5 m-85 -100.36 -21.7 15.33 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.4 2.28 . . . . 0.0 113.442 -169.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -47.58 -35.35 10.99 Favored Glycine 0 CA--C 1.543 1.785 0 CA-C-O 117.481 -1.733 . . . . 0.0 115.654 170.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -61.45 -25.51 79.92 Favored 'Trans proline' 0 C--N 1.355 0.898 0 CA-C-N 121.461 2.631 . . . . 0.0 114.254 173.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.401 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.4 m-30 -85.17 -49.24 8.39 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.899 0.88 . . . . 0.0 111.15 -174.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.7 -71.98 0.44 Allowed Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.129 1.347 . . . . 0.0 115.194 169.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -51.68 -52.25 9.42 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 124.17 3.247 . . . . 0.0 117.725 -169.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.3 ptp 22.53 62.68 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 127.573 2.349 . . . . 0.0 114.204 -173.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -33.97 74.21 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 128.676 2.791 . . . . 0.0 114.005 -167.3 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -145.03 161.25 39.87 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.297 0.57 . . . . 0.0 112.421 169.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 t -153.29 72.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.328 -163.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -69.3 126.1 28.74 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 170.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.576 HD11 HD12 ' A' ' 48' ' ' LEU . 9.5 mt -131.79 126.23 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 119.81 1.186 . . . . 0.0 110.378 177.041 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.525 HD13 ' CE1' ' A' ' 69' ' ' PHE . 3.4 mp -133.34 92.57 3.02 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 127.42 2.288 . . . . 0.0 109.692 -168.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 38.39 38.53 0.23 Allowed 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 117.12 2.267 . . . . 0.0 117.12 168.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.07 -34.78 2.56 Favored Glycine 0 N--CA 1.471 1.018 0 O-C-N 120.28 -1.513 . . . . 0.0 114.57 -175.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -96.58 147.09 24.23 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 124.759 1.223 . . . . 0.0 110.245 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.74 140.18 51.15 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 126.969 2.108 . . . . 0.0 108.076 173.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.525 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -133.35 81.06 1.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 176.61 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.447 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 1.3 t -74.35 163.28 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 112.78 -2.009 . . . . 0.0 107.701 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -153.4 152.7 31.35 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 121.139 -0.976 . . . . 0.0 109.891 -168.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.769 ' CE2' HD21 ' A' ' 34' ' ' LEU . 22.3 m-85 -129.8 160.47 33.36 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.058 1.343 . . . . 0.0 111.436 171.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -86.71 -8.53 57.33 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.87 156.85 47.94 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.486 1.914 . . . . 0.0 111.499 174.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.62 -4.09 47.18 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -74.23 -43.01 58.76 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 120.834 -1.166 . . . . 0.0 112.445 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 t -65.77 -32.37 73.87 Favored 'General case' 0 CA--C 1.514 -0.432 0 O-C-N 121.344 -0.848 . . . . 0.0 112.165 169.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.66 -48.04 76.26 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 118.359 -0.829 . . . . 0.0 111.303 172.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.2 -51.08 57.2 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 124.16 0.984 . . . . 0.0 112.462 172.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -68.64 -40.32 80.32 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.74 -43.77 85.61 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.436 0.694 . . . . 0.0 109.859 176.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.458 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 15.3 mt -56.15 -55.66 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 121.013 -1.054 . . . . 0.0 110.494 174.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.06 -24.06 66.86 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -88.58 -37.42 15.68 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.445 1.498 . . . . 0.0 113.704 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.806 HG13 HG21 ' A' ' 97' ' ' VAL . 10.9 p -148.51 -9.01 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 116.202 1.927 . . . . 0.0 116.202 -167.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.458 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 10.1 t60 -63.85 118.1 7.89 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 119.423 -2.048 . . . . 0.0 112.906 170.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.99 -1.96 87.76 Favored Glycine 0 N--CA 1.474 1.207 0 C-N-CA 124.474 1.035 . . . . 0.0 111.497 171.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.445 ' HE2' ' CA ' ' A' ' 85' ' ' VAL . 2.3 mppt? -79.76 147.44 31.86 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.98 1.712 . . . . 0.0 106.914 168.132 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.1 m -95.29 122.95 38.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.095 0.474 . . . . 0.0 111.6 -173.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.628 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.2 t80 -110.43 144.76 38.74 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.024 0.929 . . . . 0.0 111.652 169.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.92 -58.73 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 128.794 2.838 . . . . 0.0 115.69 -173.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -155.41 -4.39 0.14 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.771 2.028 . . . . 0.0 114.322 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -162.94 167.05 12.46 Favored Pre-proline 0 CA--C 1.549 0.909 0 CA-C-N 120.556 1.525 . . . . 0.0 112.83 -170.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -84.92 157.96 11.69 Favored 'Trans proline' 0 C--N 1.346 0.409 0 N-CA-C 118.035 2.283 . . . . 0.0 118.035 -170.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.628 HD21 ' HB2' ' A' ' 90' ' ' PHE . 1.5 mm? -82.35 153.73 25.62 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.565 2.346 . . . . 0.0 113.122 171.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -123.14 53.72 1.29 Allowed 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 125.479 2.562 . . . . 0.0 110.377 175.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.806 HG21 HG13 ' A' ' 85' ' ' VAL . 68.0 t -66.41 99.17 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 127.528 2.331 . . . . 0.0 107.677 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.819 HG13 ' H ' ' A' ' 99' ' ' TYR 0.298 0.3 OUTLIER -156.25 -104.46 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 CA-C-N 120.707 1.594 . . . . 0.0 113.284 -165.359 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.819 ' H ' HG13 ' A' ' 98' ' ' VAL . 8.7 m-85 -125.11 17.07 8.46 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 129.085 2.954 . . . . 0.0 110.526 176.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.546 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.47 1.4 p 35.03 3.79 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.582 2 C-N-CA 134.846 5.258 . . . . 0.0 122.266 -171.115 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 52.35 34.37 14.82 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.777 1.631 . . . . 0.0 113.563 173.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 25.1 tp -140.22 121.61 9.46 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 126.745 2.018 . . . . 0.0 108.397 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -84.99 -0.37 9.15 Favored 'Trans proline' 0 CA--C 1.551 1.328 0 C-N-CA 123.725 2.95 . . . . 0.0 115.017 -171.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.926 0 C-N-CA 126.429 1.892 . . . . 0.0 111.529 -175.814 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 CA--C 1.547 0.865 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.468 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 21.9 m-20 51.6 -11.35 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 131.387 3.875 . . . . 0.0 118.834 177.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.413 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 25.4 p -146.77 22.88 1.25 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 -165.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.651 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 19.6 mtt180 -129.76 129.54 44.25 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -166.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.786 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -105.39 111.05 23.63 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.52 -170.406 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.499 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 1.8 t80 -100.12 93.74 5.88 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 125.162 2.411 . . . . 0.0 106.634 -169.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.43 HG12 ' HE1' ' A' ' 39' ' ' PHE 0.273 39.4 t -122.97 92.71 2.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 111.482 -2.599 . . . . 0.0 108.259 -160.095 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.9 ptt-85 -127.64 19.19 0.08 OUTLIER Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 117.581 2.437 . . . . 0.0 117.581 -168.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -72.14 -34.76 7.74 Favored 'Trans proline' 0 C--N 1.354 0.833 0 CA-C-N 122.555 1.948 . . . . 0.0 113.455 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.43 ' HE1' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -76.56 159.01 80.38 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 127.019 2.127 . . . . 0.0 113.021 -169.013 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -80.25 -159.96 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 122.385 2.057 . . . . 0.0 110.0 164.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.589 ' H ' HD22 ' A' ' 41' ' ' LEU . 2.1 mm? -54.27 -13.09 0.77 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.727 1.611 . . . . 0.0 114.79 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.14 -31.54 71.26 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.913 2.085 . . . . 0.0 114.95 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.0 p -69.28 137.29 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 119.95 1.25 . . . . 0.0 111.942 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -142.17 177.23 8.38 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.076 1.35 . . . . 0.0 109.413 171.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -55.96 -22.9 29.0 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -71.19 -33.01 69.56 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.315 1.416 . . . . 0.0 113.707 173.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -83.2 -37.04 24.16 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 125.648 1.579 . . . . 0.0 108.113 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.0 mt -66.11 -37.83 86.72 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.965 168.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -59.54 -39.29 83.46 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 119.68 -1.887 . . . . 0.0 112.477 172.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -60.96 -42.24 97.88 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 171.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.5 mt -84.07 -39.29 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.462 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 31.0 m-85 -100.94 -27.02 13.53 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.771 2.028 . . . . 0.0 112.808 -168.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -46.67 -36.78 8.42 Favored Glycine 0 CA--C 1.544 1.868 0 CA-C-O 117.921 -1.488 . . . . 0.0 115.622 170.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.8 -24.4 78.9 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 123.341 2.694 . . . . 0.0 115.125 173.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -73.94 -39.37 63.83 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.238 1.015 . . . . 0.0 111.098 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.97 -84.39 0.37 Allowed Glycine 0 CA--C 1.533 1.209 0 C-N-CA 125.756 1.646 . . . . 0.0 111.16 -174.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -62.77 164.88 17.45 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.168 2.579 . . . . 0.0 114.317 173.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.6 ptm 175.4 66.05 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 130.296 3.438 . . . . 0.0 107.968 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.41 -31.98 71.7 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 128.509 2.723 . . . . 0.0 113.514 -168.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -139.46 153.03 47.47 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 123.546 0.739 . . . . 0.0 110.339 168.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.1 t -152.13 64.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 124.251 1.02 . . . . 0.0 108.552 -166.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -70.79 117.79 12.75 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -175.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.624 ' C ' HD12 ' A' ' 64' ' ' LEU . 11.1 mm -110.62 125.44 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.985 1.314 . . . . 0.0 110.702 -176.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.624 HD12 ' C ' ' A' ' 63' ' ' ILE . 4.3 mp -133.29 178.77 6.65 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.737 2.415 . . . . 0.0 109.903 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -57.63 47.19 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 130.587 3.555 . . . . 0.0 118.026 -169.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.88 6.43 14.23 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 126.157 1.837 . . . . 0.0 112.806 -169.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -132.27 143.17 49.72 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 117.994 0.897 . . . . 0.0 110.901 -173.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.74 135.92 51.74 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 126.832 2.053 . . . . 0.0 107.21 173.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.597 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -127.63 84.74 2.28 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 175.003 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.462 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 2.0 t -77.94 162.27 4.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 112.938 -1.937 . . . . 0.0 107.62 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -156.61 152.73 27.55 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 121.36 -0.838 . . . . 0.0 109.896 -169.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.786 ' CE2' HD21 ' A' ' 34' ' ' LEU . 16.1 m-85 -130.75 161.57 31.42 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.329 1.051 . . . . 0.0 111.178 171.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -88.72 1.03 55.86 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.98 169.84 19.02 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.445 1.898 . . . . 0.0 111.775 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.8 -1.11 50.31 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 -169.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -83.66 -40.04 19.46 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.093 -1.004 . . . . 0.0 112.56 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -62.63 -35.0 78.19 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 117.936 0.335 . . . . 0.0 110.533 169.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -65.83 -51.04 62.3 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.517 -0.739 . . . . 0.0 112.058 173.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.71 -47.64 70.32 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 123.81 0.844 . . . . 0.0 112.46 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.7 -39.05 70.45 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 117.87 -1.062 . . . . 0.0 113.321 175.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.94 -46.2 74.94 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 119.569 1.077 . . . . 0.0 109.302 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.427 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 14.3 mt -54.13 -59.81 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.373 0 C-N-CA 124.553 1.141 . . . . 0.0 110.41 173.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -63.95 -23.0 67.17 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -80.33 -38.42 30.61 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.806 1.643 . . . . 0.0 112.881 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.58 HG13 HG21 ' A' ' 97' ' ' VAL . 7.1 p -152.46 -2.48 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 -166.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 13.4 t60 -63.16 116.84 5.77 Favored 'General case' 0 N--CA 1.483 1.197 0 O-C-N 118.928 -2.357 . . . . 0.0 112.769 169.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.58 -1.29 83.77 Favored Glycine 0 N--CA 1.472 1.087 0 C-N-CA 124.36 0.981 . . . . 0.0 112.658 169.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -74.73 142.72 44.35 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 126.703 2.001 . . . . 0.0 107.491 168.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.9 p -86.81 96.61 10.26 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.136 0.974 . . . . 0.0 112.026 -174.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.527 ' HB2' HD21 ' A' ' 95' ' ' LEU . 12.5 t80 -90.87 140.84 29.43 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.46 -0.775 . . . . 0.0 111.594 173.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.61 -59.26 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 128.536 2.734 . . . . 0.0 116.166 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -155.25 -8.68 0.12 Allowed 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 126.926 2.09 . . . . 0.0 113.287 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -162.38 164.6 16.79 Favored Pre-proline 0 CA--C 1.549 0.94 0 CA-C-N 120.123 1.329 . . . . 0.0 112.988 -176.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.93 157.8 30.96 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 N-CA-C 116.345 1.633 . . . . 0.0 116.345 -177.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.572 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.3 mm? -80.35 162.3 24.59 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.616 2.366 . . . . 0.0 114.133 175.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -130.63 51.34 2.13 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 124.882 2.277 . . . . 0.0 110.008 171.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.58 HG21 HG13 ' A' ' 85' ' ' VAL . 66.7 t -64.21 103.52 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 127.798 2.439 . . . . 0.0 107.337 177.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.516 HG13 ' N ' ' A' ' 99' ' ' TYR . 1.0 OUTLIER -159.95 -135.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.522 0 CA-C-N 121.415 1.916 . . . . 0.0 114.315 -163.221 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.516 ' N ' HG13 ' A' ' 98' ' ' VAL . 12.4 m-30 -106.0 68.34 0.77 Allowed 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 127.096 2.159 . . . . 0.0 106.092 165.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.651 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 41.5 t . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -170.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.548 0.879 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.569 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 24.7 m-20 45.55 -5.12 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.006 1 C-N-CA 132.017 4.127 . . . . 0.0 120.499 175.476 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.8 p -145.24 22.64 1.52 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.652 2.094 . . . . 0.0 116.652 -166.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.505 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 8.6 mpt_? -131.65 130.2 41.79 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.352 1.982 . . . . 0.0 116.352 -166.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.681 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -105.83 111.06 23.57 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 120.982 -1.074 . . . . 0.0 110.946 -170.725 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.416 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 3.2 t80 -103.33 103.6 13.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 125.167 2.413 . . . . 0.0 106.942 -170.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.439 HG12 ' HE1' ' A' ' 39' ' ' PHE 0.307 41.6 t -126.78 91.33 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 111.994 -2.366 . . . . 0.0 106.991 -159.788 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -126.02 19.67 0.08 OUTLIER Pre-proline 0 CA--C 1.553 1.094 0 N-CA-C 119.118 3.007 . . . . 0.0 119.118 -167.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HD2' ' CE1' ' A' ' 39' ' ' PHE . 81.3 Cg_endo -77.87 -28.49 5.05 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.361 2.041 . . . . 0.0 114.982 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.439 ' HE1' HG12 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -79.2 161.69 66.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 C-N-CA 125.208 1.403 . . . . 0.0 113.724 -167.711 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -73.21 -167.67 0.37 Allowed 'Trans proline' 0 N--CA 1.449 -1.141 0 C-N-CA 122.064 1.843 . . . . 0.0 113.514 164.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 mp -69.15 41.98 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 126.781 2.032 . . . . 0.0 113.047 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.2 p30 -129.97 1.46 4.79 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.323 2.249 . . . . 0.0 115.404 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -94.34 139.49 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.607 1.163 . . . . 0.0 109.853 169.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -146.55 175.93 10.21 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.42 1.488 . . . . 0.0 109.421 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -27.62 19.21 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 176.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.3 m -72.26 -32.22 66.48 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.512 1.125 . . . . 0.0 113.367 176.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -82.51 -37.02 25.86 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.893 1.277 . . . . 0.0 108.476 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.35 -37.34 87.17 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.317 167.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -61.82 -38.66 88.96 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 120.043 -1.661 . . . . 0.0 112.758 172.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -61.86 -39.38 91.69 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 170.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.3 mt -87.26 -36.01 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.518 1.127 . . . . 0.0 113.302 -174.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.403 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 29.4 m-85 -105.56 -21.37 13.22 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 127.561 2.344 . . . . 0.0 113.373 -171.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.26 -33.76 24.06 Favored Glycine 0 CA--C 1.544 1.891 0 CA-C-O 117.507 -1.719 . . . . 0.0 115.03 169.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -62.42 -26.66 76.75 Favored 'Trans proline' 0 C--N 1.358 1.063 0 CA-C-N 121.43 2.615 . . . . 0.0 114.091 171.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.403 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 3.0 m-30 -78.46 -50.14 12.18 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.734 1.214 . . . . 0.0 109.854 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.72 -66.47 0.41 Allowed Glycine 0 CA--C 1.536 1.357 0 N-CA-C 116.804 1.482 . . . . 0.0 116.804 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -86.45 21.07 1.12 Allowed 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.461 2.774 . . . . 0.0 116.197 -167.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.3 ptm -36.62 91.25 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 127.48 2.312 . . . . 0.0 112.323 170.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.78 -32.9 16.74 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 128.004 2.522 . . . . 0.0 113.213 -166.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.71 156.53 45.04 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.993 0.902 . . . . 0.0 111.998 172.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.6 t -153.45 116.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 113.505 -1.68 . . . . 0.0 108.697 -166.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.12 111.81 16.97 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 -174.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.592 ' C ' HD12 ' A' ' 64' ' ' LEU . 14.6 mm -109.38 123.95 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.981 1.312 . . . . 0.0 109.746 -172.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.592 HD12 ' C ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -135.23 175.73 9.32 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.434 1.894 . . . . 0.0 109.956 -179.09 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -39.35 100.74 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.718 1.607 . . . . 0.0 113.36 167.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.64 -4.53 7.03 Favored Glycine 0 CA--C 1.535 1.33 0 N-CA-C 115.601 1.0 . . . . 0.0 115.601 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -123.42 151.0 43.1 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 122.821 1.296 . . . . 0.0 113.251 -168.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.18 135.29 42.96 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 128.096 2.558 . . . . 0.0 107.293 171.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.575 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -128.83 91.19 3.17 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 173.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.4 165.52 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.139 -1.391 . . . . 0.0 108.198 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -158.51 153.98 25.97 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 121.37 -0.831 . . . . 0.0 110.421 -167.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.681 ' CE2' HD21 ' A' ' 34' ' ' LEU . 36.0 m-85 -130.86 166.84 20.01 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.649 1.58 . . . . 0.0 110.485 172.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -93.64 -5.25 49.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.75 -178.93 6.03 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.658 1.583 . . . . 0.0 111.298 170.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.81 -1.01 21.25 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -169.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -76.41 -37.35 57.23 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 120.38 -1.45 . . . . 0.0 111.105 173.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.8 p -59.33 -46.2 89.26 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.275 1.83 . . . . 0.0 111.976 169.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.64 -47.91 83.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 118.492 -0.766 . . . . 0.0 111.483 171.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.78 -47.82 67.27 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.384 0.993 . . . . 0.0 112.63 175.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -69.31 -40.77 77.46 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 118.597 -0.716 . . . . 0.0 112.667 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.29 -46.53 83.05 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.776 0.716 . . . . 0.0 109.661 178.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.45 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 15.7 mt -53.11 -58.43 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 124.637 1.175 . . . . 0.0 110.625 173.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -64.27 -22.8 67.07 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -83.21 -36.58 24.51 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.721 1.608 . . . . 0.0 113.19 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.77 HG13 HG21 ' A' ' 97' ' ' VAL . 11.0 p -151.73 -4.28 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 -167.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.45 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 14.2 t60 -64.27 119.05 9.54 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 119.016 -2.303 . . . . 0.0 112.868 169.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.03 -3.44 84.55 Favored Glycine 0 N--CA 1.474 1.233 0 C-N-CA 124.28 0.943 . . . . 0.0 112.259 169.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -72.78 142.63 48.09 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.915 2.086 . . . . 0.0 107.723 169.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.3 p -91.04 100.16 13.06 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.283 1.033 . . . . 0.0 111.954 -173.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.54 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.3 t80 -94.28 142.08 27.82 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.571 -0.705 . . . . 0.0 111.224 173.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 56.93 -62.38 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 128.117 2.567 . . . . 0.0 115.851 -176.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.403 HD21 ' NE2' ' A' ' 93' ' ' GLN . 2.8 p-10 -153.72 -4.28 0.19 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.617 1.967 . . . . 0.0 114.001 177.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.403 ' NE2' HD21 ' A' ' 92' ' ' ASN . 19.7 pt20 -159.12 160.91 28.7 Favored Pre-proline 0 CA--C 1.548 0.874 0 CA-C-N 119.74 1.155 . . . . 0.0 112.579 -172.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -80.53 158.44 22.22 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 N-CA-C 116.161 1.562 . . . . 0.0 116.161 -172.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.582 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.1 mm? -81.74 155.5 25.46 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.882 2.073 . . . . 0.0 113.096 174.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -124.86 48.1 2.04 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 125.011 2.339 . . . . 0.0 109.316 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.77 HG21 HG13 ' A' ' 85' ' ' VAL . 60.3 t -66.13 102.44 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 128.01 2.524 . . . . 0.0 107.129 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.659 HG13 ' H ' ' A' ' 99' ' ' TYR 0.266 1.6 p -157.82 -127.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 120.619 1.554 . . . . 0.0 114.025 -163.025 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.659 ' H ' HG13 ' A' ' 98' ' ' VAL . 14.5 m-30 -109.08 23.9 13.88 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.348 2.259 . . . . 0.0 110.404 168.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.505 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.276 32.6 t . . . . . 0 N--CA 1.469 0.496 0 C-N-CA 129.115 2.966 . . . . 0.0 117.397 -168.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.514 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.7 OUTLIER 63.3 2.57 1.16 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 128.608 2.763 . . . . 0.0 116.176 167.444 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.7 p -150.8 22.72 0.78 Allowed 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -164.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 36.1 mtt180 -135.84 136.46 40.64 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 121.742 2.065 . . . . 0.0 116.087 -164.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.733 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -115.55 118.88 34.38 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 120.514 -1.366 . . . . 0.0 112.512 -167.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -105.44 98.68 8.34 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 125.054 2.359 . . . . 0.0 106.182 -168.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.407 HG12 ' HE1' ' A' ' 39' ' ' PHE 0.31 25.2 t -126.42 95.69 3.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 111.961 -2.381 . . . . 0.0 107.076 -159.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.443 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -131.66 5.69 0.04 OUTLIER Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 120.94 3.681 . . . . 0.0 120.94 -164.179 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 65.0 Cg_exo -57.84 -41.32 70.7 Favored 'Trans proline' 0 C--N 1.353 0.789 0 CA-C-N 123.607 2.324 . . . . 0.0 115.848 175.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.407 ' HE1' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -70.34 164.01 57.43 Favored Pre-proline 0 CA--C 1.534 0.365 0 C-N-CA 126.076 1.751 . . . . 0.0 114.446 -167.283 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -84.2 -170.64 0.87 Allowed 'Trans proline' 0 CA--C 1.546 1.106 0 C-N-CA 122.732 2.288 . . . . 0.0 110.774 164.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 mp -53.64 -18.32 2.88 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.423 1.489 . . . . 0.0 114.094 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.06 -21.51 66.22 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.605 1.962 . . . . 0.0 114.942 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -66.65 135.76 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 120.567 1.53 . . . . 0.0 111.133 170.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -139.19 178.8 6.92 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.028 1.331 . . . . 0.0 109.45 176.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 pm0 -57.7 -22.53 46.84 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.794 -1.191 . . . . 0.0 113.865 174.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -32.08 71.69 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 120.135 1.334 . . . . 0.0 113.858 171.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -85.43 -38.5 18.6 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 125.721 1.608 . . . . 0.0 107.824 -176.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.446 ' CD1' HD11 ' A' ' 63' ' ' ILE . 78.6 mt -62.8 -39.03 92.98 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.894 166.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -59.54 -38.31 80.71 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 119.599 -1.938 . . . . 0.0 112.119 174.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -59.7 -42.75 93.71 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 172.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.6 mt -83.56 -44.94 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 C-N-CA 124.597 1.159 . . . . 0.0 113.877 -177.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.426 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 47.7 m-85 -94.34 -26.91 16.36 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 127.873 2.469 . . . . 0.0 113.316 -169.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -45.82 -36.74 6.77 Favored Glycine 0 CA--C 1.543 1.784 0 CA-C-O 117.596 -1.669 . . . . 0.0 115.762 173.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.04 -23.49 77.53 Favored 'Trans proline' 0 CA--C 1.545 1.055 0 CA-C-N 121.384 2.592 . . . . 0.0 114.766 174.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.426 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.4 m-30 -78.01 -37.73 46.45 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.904 0.882 . . . . 0.0 111.39 -176.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.49 -80.51 0.27 Allowed Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.332 1.444 . . . . 0.0 111.573 -173.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.93 157.44 28.89 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.293 2.662 . . . . 0.0 113.652 171.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.7 ptm 173.98 60.95 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 130.742 3.617 . . . . 0.0 107.786 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -67.57 -29.2 68.51 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 128.385 2.674 . . . . 0.0 114.353 -168.422 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.57 160.06 42.21 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.998 0.904 . . . . 0.0 111.811 170.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.9 t -153.34 115.2 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 126.709 2.003 . . . . 0.0 107.239 -166.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.21 109.37 14.4 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 -176.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.519 ' C ' HD12 ' A' ' 64' ' ' LEU . 42.9 mt -122.64 124.5 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-O 122.408 1.099 . . . . 0.0 110.832 -168.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.519 HD12 ' C ' ' A' ' 63' ' ' ILE . 3.7 mp -128.5 -176.9 3.96 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 129.292 3.037 . . . . 0.0 108.995 -170.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -51.63 39.21 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.328 1 C-N-CA 132.298 4.239 . . . . 0.0 118.862 -174.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.6 9.1 7.9 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 127.039 2.257 . . . . 0.0 113.257 -169.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -133.77 146.96 51.21 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.126 0.963 . . . . 0.0 111.756 -170.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -132.13 133.51 44.36 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 127.745 2.418 . . . . 0.0 108.427 173.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.434 ' HE1' HD13 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -123.74 93.59 3.98 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 171.071 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.433 ' HB ' HD23 ' A' ' 34' ' ' LEU . 1.9 t -86.39 162.58 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.117 -1.401 . . . . 0.0 108.033 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -151.68 150.53 30.34 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.33 -0.856 . . . . 0.0 110.443 -168.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.733 ' CE2' HD21 ' A' ' 34' ' ' LEU . 24.2 m-85 -127.09 160.84 29.96 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -98.22 9.94 41.78 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.796 1.638 . . . . 0.0 111.137 167.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -142.42 108.24 5.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.154 2.182 . . . . 0.0 109.225 -169.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.77 -26.94 67.61 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.558 -0.714 . . . . 0.0 112.708 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -70.71 -21.79 62.52 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.21 -0.931 . . . . 0.0 112.726 172.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.405 ' HA ' ' HE2' ' A' ' 80' ' ' LYS . 8.9 t -72.24 -40.54 67.64 Favored 'General case' 0 CA--C 1.511 -0.531 0 O-C-N 120.749 -1.219 . . . . 0.0 110.409 169.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.05 87.89 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.998 0.817 . . . . 0.0 111.339 170.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.57 -53.48 37.63 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 119.412 1.005 . . . . 0.0 113.042 174.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.405 ' HE2' ' HA ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -70.03 -38.4 75.88 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 118.392 -0.813 . . . . 0.0 112.932 178.288 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.53 -44.93 81.3 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.076 0.853 . . . . 0.0 109.317 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.423 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 14.7 mt -55.07 -58.5 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.191 0.996 . . . . 0.0 109.921 173.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -63.81 -23.46 67.37 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.78 -36.78 23.33 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.196 1.799 . . . . 0.0 113.105 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.714 HG13 HG21 ' A' ' 97' ' ' VAL . 7.1 p -150.06 -11.58 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 -167.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 7.5 t60 -63.84 116.77 6.1 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 119.207 -2.183 . . . . 0.0 111.114 168.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.05 3.17 55.87 Favored Glycine 0 N--CA 1.471 0.974 0 C-N-CA 123.827 0.727 . . . . 0.0 112.266 172.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -97.96 132.81 43.21 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 126.585 1.954 . . . . 0.0 108.505 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.2 p -78.87 98.75 6.47 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 124.619 1.168 . . . . 0.0 113.291 -169.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.544 ' HB2' HD21 ' A' ' 95' ' ' LEU . 3.5 t80 -97.99 143.7 28.29 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.504 -0.747 . . . . 0.0 110.665 169.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.01 -60.51 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 128.658 2.783 . . . . 0.0 117.087 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -150.83 -9.98 0.24 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.715 2.006 . . . . 0.0 113.988 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -158.19 163.38 24.66 Favored Pre-proline 0 N--CA 1.474 0.728 0 C-N-CA 124.522 1.129 . . . . 0.0 111.606 -171.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.8 150.37 30.57 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 CA-C-O 123.025 1.177 . . . . 0.0 114.42 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 90' ' ' PHE . 1.9 mm? -69.82 153.88 42.72 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 113.695 -1.593 . . . . 0.0 112.331 170.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -125.71 50.35 1.84 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 125.552 2.596 . . . . 0.0 109.666 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.714 HG21 HG13 ' A' ' 85' ' ' VAL . 55.1 t -68.19 110.54 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 128.561 2.744 . . . . 0.0 107.621 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.572 HG13 ' H ' ' A' ' 99' ' ' TYR 0.266 0.9 OUTLIER -158.94 -131.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 121.287 1.858 . . . . 0.0 115.389 -163.652 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.572 ' H ' HG13 ' A' ' 98' ' ' VAL . 17.5 m-30 -107.59 51.37 0.74 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.28 2.232 . . . . 0.0 107.766 167.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.594 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 13.5 m . . . . . 0 N--CA 1.478 0.926 0 C-N-CA 125.727 1.611 . . . . 0.0 114.419 -169.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 CA--C 1.54 0.582 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.495 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 25.5 m-80 53.67 -6.44 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 129.107 2.963 . . . . 0.0 118.533 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.481 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 18.5 p -144.44 18.78 1.7 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 -166.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.623 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 28.9 mtt180 -126.0 126.68 44.69 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 116.782 2.141 . . . . 0.0 116.782 -165.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.731 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -105.02 107.62 18.7 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 121.065 -1.022 . . . . 0.0 110.818 -169.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.419 ' HB2' ' HB2' ' A' ' 100' ' ' SER 0.25 0.9 OUTLIER -97.18 93.78 6.74 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-O 126.03 2.824 . . . . 0.0 107.17 -170.614 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.326 21.5 t -120.49 102.77 12.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 110.658 -2.974 . . . . 0.0 106.853 -160.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.486 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 14.2 ptt-85 -134.49 -9.36 0.03 OUTLIER Pre-proline 0 CA--C 1.55 0.951 0 N-CA-C 120.131 3.382 . . . . 0.0 120.131 -165.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.486 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 7.4 Cg_exo -49.42 -33.99 31.39 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 124.033 3.155 . . . . 0.0 117.946 177.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.07 160.4 80.52 Favored Pre-proline 0 C--O 1.237 0.435 0 C-N-CA 125.771 1.628 . . . . 0.0 113.615 -170.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.97 -173.17 1.77 Allowed 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.013 1.808 . . . . 0.0 110.894 165.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.2 mp -56.44 -13.54 2.36 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.186 1.394 . . . . 0.0 114.595 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -68.12 -10.14 51.77 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.722 2.009 . . . . 0.0 115.442 177.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.78 148.7 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-N 120.331 1.423 . . . . 0.0 112.225 172.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -165.56 -169.1 1.48 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.287 1.435 . . . . 0.0 110.643 168.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.82 -20.98 17.24 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -175.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 t -71.82 -34.25 69.16 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.394 1.452 . . . . 0.0 113.104 172.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -85.92 -38.53 17.92 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 125.837 1.655 . . . . 0.0 107.888 -174.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.6 mt -63.44 -37.34 86.92 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.179 165.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.59 -44.42 85.36 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 119.862 -1.774 . . . . 0.0 112.623 171.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -60.84 -41.45 95.82 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.8 mt -83.3 -37.64 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.177 0.991 . . . . 0.0 112.912 -174.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.441 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 34.0 m-85 -101.97 -18.92 15.44 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.152 1.781 . . . . 0.0 113.438 -169.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -47.02 -34.49 7.57 Favored Glycine 0 CA--C 1.542 1.737 0 CA-C-O 117.685 -1.619 . . . . 0.0 115.555 169.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -63.58 -24.7 69.8 Favored 'Trans proline' 0 C--N 1.357 0.979 0 CA-C-N 121.546 2.673 . . . . 0.0 114.491 173.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.407 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.7 m-30 -87.93 -47.72 8.34 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.674 0.79 . . . . 0.0 111.081 -172.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.62 -74.94 0.37 Allowed Glycine 0 CA--C 1.538 1.498 0 N-CA-C 116.359 1.303 . . . . 0.0 116.359 169.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -81.74 33.66 0.53 Allowed 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 124.271 3.314 . . . . 0.0 116.503 -166.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.0 ptp -44.57 106.52 0.07 Allowed 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 120.11 1.323 . . . . 0.0 110.657 168.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -103.72 -44.09 5.17 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 125.346 1.458 . . . . 0.0 113.354 -167.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.03 157.15 43.8 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.202 170.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.433 HG12 HD11 ' A' ' 63' ' ' ILE . 2.9 t -154.2 65.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.184 -164.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -72.59 109.95 6.61 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.701 0.8 . . . . 0.0 109.435 -175.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.531 ' C ' HD12 ' A' ' 64' ' ' LEU . 7.1 mm -106.75 124.09 62.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.217 1.007 . . . . 0.0 109.647 -177.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.57 HD13 ' CE2' ' A' ' 69' ' ' PHE . 4.9 mp -133.82 95.5 3.47 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 124.507 1.123 . . . . 0.0 110.315 -177.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 53.48 -104.27 0.2 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.465 0.706 . . . . 0.0 110.616 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.14 -7.12 83.8 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 126.451 1.977 . . . . 0.0 116.183 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -109.68 155.14 21.89 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.278 1.539 . . . . 0.0 112.594 -169.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.39 130.72 28.83 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 126.56 1.944 . . . . 0.0 108.947 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.57 ' CE2' HD13 ' A' ' 64' ' ' LEU . 2.9 m-85 -121.55 85.44 2.41 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 167.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.461 ' HB ' HD23 ' A' ' 34' ' ' LEU . 2.1 t -70.74 160.94 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 113.833 -1.53 . . . . 0.0 108.096 172.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -150.79 151.13 31.87 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 124.102 0.961 . . . . 0.0 108.821 -172.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.731 ' CE2' HD21 ' A' ' 34' ' ' LEU . 24.0 m-85 -129.27 163.26 26.03 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.522 1.129 . . . . 0.0 112.439 174.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -91.72 -3.23 56.49 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 121.763 0.792 . . . . 0.0 110.58 165.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -121.38 101.86 7.9 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 128.101 2.56 . . . . 0.0 109.097 -169.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.4 -20.81 63.48 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 121.461 -0.774 . . . . 0.0 112.647 173.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -70.29 -24.72 63.08 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.998 -1.064 . . . . 0.0 112.337 169.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.526 ' HA ' ' CE ' ' A' ' 80' ' ' LYS . 9.1 t -77.61 -31.58 53.02 Favored 'General case' 0 CA--C 1.502 -0.871 0 O-C-N 120.876 -1.14 . . . . 0.0 111.702 169.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.481 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -62.38 -49.95 73.48 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 119.02 0.827 . . . . 0.0 109.779 169.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.68 -50.39 54.98 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.705 1.202 . . . . 0.0 113.073 171.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.526 ' CE ' ' HA ' ' A' ' 77' ' ' SER . 1.5 ptpt -69.94 -40.33 75.54 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.464 -0.773 . . . . 0.0 112.915 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.26 -43.49 92.46 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.907 0.883 . . . . 0.0 109.353 176.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.452 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 15.9 mt -55.75 -57.37 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 121.298 -0.876 . . . . 0.0 110.534 173.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -61.78 -24.51 66.89 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.84 -37.75 18.86 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.348 1.459 . . . . 0.0 113.01 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.638 HG13 HG21 ' A' ' 97' ' ' VAL . 13.8 p -152.48 -3.6 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -166.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.452 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 11.5 t60 -66.49 121.14 14.65 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 119.123 -2.235 . . . . 0.0 112.186 169.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.46 -2.74 83.31 Favored Glycine 0 N--CA 1.472 1.09 0 C-N-CA 123.859 0.742 . . . . 0.0 112.304 169.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -75.97 139.89 41.77 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 127.099 2.16 . . . . 0.0 107.936 169.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.9 p -86.16 89.42 7.83 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.956 0.903 . . . . 0.0 112.405 -171.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.552 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.9 t80 -80.85 140.09 35.59 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.587 -0.696 . . . . 0.0 111.065 174.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.23 -60.56 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 128.332 2.653 . . . . 0.0 115.378 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -155.1 -4.15 0.14 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.858 2.063 . . . . 0.0 114.252 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -159.13 162.61 25.83 Favored Pre-proline 0 N--CA 1.478 0.958 0 CA-C-N 120.192 1.36 . . . . 0.0 111.946 -171.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -84.5 146.89 11.0 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 N-CA-C 116.113 1.543 . . . . 0.0 116.113 -171.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' ' 90' ' ' PHE . 2.3 mm? -64.41 160.29 19.44 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.068 2.147 . . . . 0.0 113.278 169.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -129.98 52.08 2.03 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 124.764 2.221 . . . . 0.0 109.757 169.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.638 HG21 HG13 ' A' ' 85' ' ' VAL . 54.3 t -62.46 105.7 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 127.552 2.341 . . . . 0.0 107.519 175.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -158.89 -137.25 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-N 121.059 1.754 . . . . 0.0 113.422 -163.581 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.495 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 15.7 m-30 -106.71 53.22 0.7 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.616 1.966 . . . . 0.0 107.945 167.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.623 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 23.1 t . . . . . 0 N--CA 1.482 1.144 0 C-N-CA 125.412 1.485 . . . . 0.0 114.497 -169.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.494 ' HA ' ' CD1' ' A' ' 99' ' ' TYR 0.339 6.8 p30 47.44 -7.02 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 119.876 3.288 . . . . 0.0 119.876 -176.714 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.45 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 7.5 p -144.07 20.01 1.77 Allowed 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 -169.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.624 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 13.3 mtt180 -125.23 130.57 52.35 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 117.597 2.443 . . . . 0.0 117.597 -165.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.696 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -109.74 115.42 29.83 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.103 -0.998 . . . . 0.0 110.22 -169.298 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -103.25 97.32 7.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 124.764 2.221 . . . . 0.0 105.525 -169.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.277 14.8 t -126.17 92.02 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 112.279 -2.237 . . . . 0.0 107.479 -160.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.525 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -128.17 -2.99 0.05 OUTLIER Pre-proline 0 CA--C 1.55 0.974 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 -165.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.525 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 73.4 Cg_exo -59.95 -22.01 67.07 Favored 'Trans proline' 0 C--N 1.354 0.83 0 CA-C-N 123.435 2.262 . . . . 0.0 117.82 177.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -79.19 164.21 55.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 C-N-CA 124.525 1.13 . . . . 0.0 112.88 -168.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -83.7 -179.25 4.03 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 121.418 1.412 . . . . 0.0 110.958 164.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 mp -51.75 -20.66 2.25 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.815 1.646 . . . . 0.0 113.94 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.52 -22.75 65.42 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.002 2.121 . . . . 0.0 115.184 176.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.68 144.48 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 CA-C-N 121.345 1.884 . . . . 0.0 111.59 175.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -150.35 172.28 15.64 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 124.574 1.15 . . . . 0.0 110.175 -173.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -47.3 -35.0 7.33 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.61 1.164 . . . . 0.0 112.515 169.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -66.82 -32.79 74.29 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 120.172 1.351 . . . . 0.0 114.594 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -84.39 -37.01 22.03 Favored 'General case' 0 C--N 1.34 0.192 0 O-C-N 120.149 -1.594 . . . . 0.0 109.388 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.6 mt -63.14 -37.73 88.38 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.855 -1.066 . . . . 0.0 108.899 167.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -62.24 -42.34 99.24 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 120.322 -1.486 . . . . 0.0 112.14 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -58.34 -41.52 84.81 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 172.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.9 mt -86.84 -39.15 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.239 1.016 . . . . 0.0 112.874 -172.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.48 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 29.9 m-85 -101.1 -22.43 14.71 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.617 1.967 . . . . 0.0 113.476 -171.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -47.05 -36.58 9.24 Favored Glycine 0 CA--C 1.539 1.593 0 CA-C-O 117.882 -1.51 . . . . 0.0 115.617 169.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.45 -25.22 79.53 Favored 'Trans proline' 0 C--N 1.356 0.934 0 CA-C-N 121.269 2.535 . . . . 0.0 114.456 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.9 m-30 -81.17 -42.12 21.33 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.937 0.895 . . . . 0.0 111.349 -177.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.63 -80.55 0.27 Allowed Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.536 1.541 . . . . 0.0 113.458 174.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_exo -67.86 41.79 0.23 Allowed 'Trans proline' 0 CA--C 1.546 1.09 0 C-N-CA 125.056 3.838 . . . . 0.0 118.458 -174.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.8 ptm -62.62 67.23 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 127.116 2.166 . . . . 0.0 113.035 168.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.41 -34.95 76.93 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 129.463 3.105 . . . . 0.0 115.145 -167.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -147.26 152.74 38.81 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 123.901 0.88 . . . . 0.0 112.331 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 t -152.76 88.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 114.437 -1.256 . . . . 0.0 110.749 -163.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -69.79 140.35 53.35 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 166.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.571 ' C ' HD22 ' A' ' 64' ' ' LEU . 10.1 mm -130.54 127.84 62.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.569 1.548 . . . . 0.0 109.6 175.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.571 HD22 ' C ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER -140.0 171.36 14.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 127.217 2.207 . . . . 0.0 109.88 -171.162 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.05 97.83 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.483 1.513 . . . . 0.0 113.552 167.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.86 -7.61 5.25 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 115.175 0.83 . . . . 0.0 115.175 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -122.69 148.58 45.13 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 122.861 1.315 . . . . 0.0 111.941 -168.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.57 137.04 45.31 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 127.384 2.273 . . . . 0.0 107.513 172.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -125.99 86.79 2.58 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 173.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.547 ' HB ' HD23 ' A' ' 34' ' ' LEU . 1.8 t -77.9 159.19 4.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 113.225 -1.807 . . . . 0.0 107.486 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -153.3 147.77 26.02 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -171.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.696 ' CE2' HD21 ' A' ' 34' ' ' LEU . 11.1 m-85 -127.45 164.8 21.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.984 0.897 . . . . 0.0 112.628 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -92.42 -6.87 49.1 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.893 0.877 . . . . 0.0 112.718 171.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -126.74 128.47 46.7 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.079 1.352 . . . . 0.0 111.826 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.94 -24.29 65.94 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.423 0.689 . . . . 0.0 112.293 169.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -65.61 -28.36 69.06 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.092 0.957 . . . . 0.0 112.678 172.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.55 ' HA ' ' CE ' ' A' ' 80' ' ' LYS . 10.5 t -73.3 -35.47 66.12 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 119.066 0.848 . . . . 0.0 111.732 169.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.45 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -63.37 -48.66 77.0 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 119.773 1.169 . . . . 0.0 110.869 171.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.76 -51.91 35.63 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.723 1.147 . . . . 0.0 112.926 172.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.55 ' CE ' ' HA ' ' A' ' 77' ' ' SER . 1.2 ptpt -69.31 -42.21 75.72 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.534 -0.729 . . . . 0.0 112.613 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.32 -42.46 91.46 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.101 0.96 . . . . 0.0 109.864 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.478 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 17.4 mt -55.63 -58.52 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.067 0.947 . . . . 0.0 109.901 174.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -63.0 -24.56 67.98 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -81.47 -38.49 26.28 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.18 1.392 . . . . 0.0 113.32 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.696 HG13 HG21 ' A' ' 97' ' ' VAL . 9.4 p -151.6 -6.41 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 116.334 1.976 . . . . 0.0 116.334 -167.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.478 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 9.4 t60 -66.23 122.52 17.66 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 119.077 -2.264 . . . . 0.0 112.227 169.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.54 -4.68 73.25 Favored Glycine 0 N--CA 1.472 1.099 0 C-N-CA 123.846 0.736 . . . . 0.0 111.979 169.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -78.69 140.97 38.28 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 127.074 2.15 . . . . 0.0 108.152 171.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 65.1 p -89.73 104.59 17.14 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.576 1.15 . . . . 0.0 112.542 -170.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.576 ' HB2' HD21 ' A' ' 95' ' ' LEU . 2.6 t80 -102.26 145.17 29.82 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.63 -0.669 . . . . 0.0 111.006 172.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 53.04 -58.51 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 128.724 2.81 . . . . 0.0 117.995 176.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -144.02 -13.05 0.64 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.624 1.569 . . . . 0.0 114.316 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -165.08 168.69 8.27 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 124.42 1.088 . . . . 0.0 112.069 -168.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -76.37 148.66 30.39 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 N-CA-C 116.417 1.661 . . . . 0.0 116.417 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.576 HD21 ' HB2' ' A' ' 90' ' ' PHE . 1.9 mm? -66.9 153.68 42.89 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 127.011 2.124 . . . . 0.0 112.311 169.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -129.88 50.06 2.21 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 125.268 2.461 . . . . 0.0 109.434 -176.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.696 HG21 HG13 ' A' ' 85' ' ' VAL . 55.6 t -68.1 104.41 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 128.181 2.592 . . . . 0.0 107.366 -178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 99' ' ' TYR . 1.5 p -159.37 -135.47 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 121.281 1.855 . . . . 0.0 114.01 -162.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.494 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 10.7 m-30 -107.92 68.51 0.71 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 103.635 -2.728 . . . . 0.0 103.635 164.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.624 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 13.6 t . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -167.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.405 ' HA ' ' CG ' ' A' ' 99' ' ' TYR . 2.3 m-20 45.66 -2.37 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.21 1 C-N-CA 132.712 4.405 . . . . 0.0 120.469 174.549 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.7 p -144.66 27.26 1.36 Allowed 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.362 1.892 . . . . 0.0 114.867 -166.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.571 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 35.0 mtt180 -133.29 132.15 41.02 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 -165.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.599 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -108.61 106.21 16.17 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 113.892 -1.504 . . . . 0.0 109.935 -169.854 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.51 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 1.1 t80 -99.15 96.57 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 125.524 2.583 . . . . 0.0 106.637 -169.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.447 HG21 ' HZ ' ' A' ' 52' ' ' PHE 0.306 24.3 t -122.3 96.43 4.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 111.332 -2.667 . . . . 0.0 108.041 -159.299 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.7 ptt-85 -132.72 14.53 0.05 OUTLIER Pre-proline 0 CA--C 1.555 1.166 0 N-CA-C 119.766 3.247 . . . . 0.0 119.766 -166.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HD2' ' CE1' ' A' ' 39' ' ' PHE . 61.2 Cg_endo -69.4 -36.34 11.94 Favored 'Trans proline' 0 C--N 1.355 0.889 0 CA-C-N 123.574 2.312 . . . . 0.0 113.966 177.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.411 ' CE1' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -71.22 152.38 94.47 Favored Pre-proline 0 C--N 1.327 -0.384 0 C-N-CA 126.58 1.952 . . . . 0.0 112.156 -173.623 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.9 -157.08 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.127 0 C-N-CA 121.925 1.75 . . . . 0.0 110.014 164.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.522 ' H ' HD22 ' A' ' 41' ' ' LEU . 2.6 mm? -53.31 -12.7 0.44 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.59 1.556 . . . . 0.0 114.965 176.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.54 -31.4 70.5 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.315 1.846 . . . . 0.0 115.357 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.3 p -76.17 136.62 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 119.775 1.171 . . . . 0.0 111.973 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.0 172.61 12.44 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.258 1.423 . . . . 0.0 109.405 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -53.66 -29.67 39.59 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.92 0.888 . . . . 0.0 113.179 174.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -67.47 -33.86 75.99 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 172.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -82.67 -38.52 23.33 Favored 'General case' 0 C--N 1.334 -0.106 0 O-C-N 120.235 -1.54 . . . . 0.0 108.288 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.1 mt -64.62 -35.62 81.59 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.022 0.929 . . . . 0.0 109.806 168.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -59.79 -45.43 92.33 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 120.19 -1.569 . . . . 0.0 112.169 169.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -62.01 -35.34 78.25 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.3 mt -92.68 -31.28 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.326 1.05 . . . . 0.0 112.627 -172.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.447 ' HZ ' HG21 ' A' ' 36' ' ' VAL . 19.7 m-85 -108.41 -18.22 13.8 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.448 1.499 . . . . 0.0 113.375 -172.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.85 -33.51 28.2 Favored Glycine 0 CA--C 1.545 1.928 0 CA-C-O 117.325 -1.819 . . . . 0.0 114.452 167.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.76 -28.36 81.87 Favored 'Trans proline' 0 C--N 1.356 0.968 0 CA-C-N 121.781 2.79 . . . . 0.0 114.208 171.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -82.12 -51.83 7.6 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.355 1.062 . . . . 0.0 109.848 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.85 -75.11 0.4 Allowed Glycine 0 CA--C 1.536 1.368 0 N-CA-C 117.325 1.69 . . . . 0.0 117.325 167.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -78.19 32.29 0.45 Allowed 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 124.436 3.424 . . . . 0.0 116.024 -166.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -46.88 99.93 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.439 1.496 . . . . 0.0 111.412 168.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.424 ' HE2' ' C ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -109.79 -24.72 10.73 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 126.39 1.876 . . . . 0.0 112.469 -167.667 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -139.33 154.55 47.91 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.31 0.576 . . . . 0.0 109.848 163.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t -151.47 66.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 125.528 1.531 . . . . 0.0 107.497 -168.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.1 mtpp -65.82 120.73 13.56 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.601 ' C ' HD12 ' A' ' 64' ' ' LEU . 9.8 mm -114.1 124.67 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.214 1.006 . . . . 0.0 110.275 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.601 HD12 ' C ' ' A' ' 63' ' ' ILE . 3.6 mp -133.42 -179.66 5.65 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.412 2.285 . . . . 0.0 110.267 -178.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -54.35 44.49 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.348 1 C-N-CA 131.859 4.064 . . . . 0.0 118.233 -171.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.04 14.93 10.39 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 126.175 1.845 . . . . 0.0 112.551 -169.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -135.46 144.86 46.65 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.347 1.073 . . . . 0.0 111.376 -177.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.69 137.54 53.28 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 127.561 2.344 . . . . 0.0 107.801 172.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.585 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -130.67 82.75 2.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 175.384 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.538 ' HB ' HD23 ' A' ' 34' ' ' LEU . 1.7 t -73.31 159.51 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 113.782 -1.554 . . . . 0.0 107.974 177.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -153.19 147.64 25.98 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 121.14 -0.975 . . . . 0.0 110.135 -170.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.599 ' CE2' HD21 ' A' ' 34' ' ' LEU . 14.8 m-85 -130.64 162.3 29.68 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.283 1.033 . . . . 0.0 113.603 177.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.97 -8.83 59.85 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -175.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.55 179.58 7.7 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.251 1.82 . . . . 0.0 110.913 172.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.25 -2.18 34.48 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -174.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -76.09 -40.09 53.84 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 120.556 -1.34 . . . . 0.0 111.27 176.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 p -58.51 -44.03 89.35 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 126.221 1.809 . . . . 0.0 111.666 169.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.06 -46.38 89.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 117.997 -1.001 . . . . 0.0 111.363 171.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.26 -49.34 67.09 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.835 1.198 . . . . 0.0 112.459 176.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -67.95 -41.29 82.73 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 174.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.45 -44.41 89.22 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 119.24 0.927 . . . . 0.0 109.54 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.422 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 17.1 mt -53.23 -59.28 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.722 1.209 . . . . 0.0 109.948 172.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -61.05 -27.6 68.46 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -177.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.9 -38.27 28.28 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.223 1.409 . . . . 0.0 113.76 -178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.75 HG13 HG21 ' A' ' 97' ' ' VAL . 7.9 p -147.35 -4.81 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 -167.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 10.6 t60 -66.32 124.54 22.99 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 119.281 -2.137 . . . . 0.0 112.418 169.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.92 -2.25 87.77 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 125.12 1.343 . . . . 0.0 112.321 170.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.403 ' HE2' ' HA ' ' A' ' 85' ' ' VAL . 1.3 mppt? -77.01 143.27 39.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 126.419 1.888 . . . . 0.0 107.558 168.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.3 p -92.49 93.91 8.81 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 124.759 1.224 . . . . 0.0 112.141 -169.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.522 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.3 t80 -87.37 141.75 28.4 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 122.077 -0.39 . . . . 0.0 111.32 174.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.22 -62.55 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 128.31 2.644 . . . . 0.0 115.707 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -152.77 -5.18 0.21 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.131 1.772 . . . . 0.0 113.992 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -159.6 168.71 11.65 Favored Pre-proline 0 CA--C 1.552 1.051 0 CA-C-N 119.906 1.23 . . . . 0.0 112.148 -174.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -82.09 160.27 18.05 Favored 'Trans proline' 0 C--N 1.352 0.746 0 N-CA-C 116.784 1.801 . . . . 0.0 116.784 -171.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.608 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.1 mm? -82.82 153.47 25.17 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.024 2.129 . . . . 0.0 113.03 170.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -120.29 51.42 1.21 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 124.583 2.135 . . . . 0.0 109.816 170.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.75 HG21 HG13 ' A' ' 85' ' ' VAL . 62.0 t -62.7 104.01 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.923 2.089 . . . . 0.0 107.084 175.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.658 HG13 ' H ' ' A' ' 99' ' ' TYR 0.263 0.8 OUTLIER -158.26 -129.9 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 121.007 1.731 . . . . 0.0 112.975 -164.214 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.658 ' H ' HG13 ' A' ' 98' ' ' VAL . 15.8 m-30 -105.84 11.34 32.0 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.067 2.147 . . . . 0.0 111.445 168.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.571 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.34 21.3 t . . . . . 0 N--CA 1.481 1.118 2 C-N-CA 133.202 4.601 . . . . 0.0 122.184 -169.62 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.3 m . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 116.91 2.189 . . . . 0.0 116.91 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.54 ' HA ' ' CD1' ' A' ' 99' ' ' TYR 0.316 2.3 p30 52.37 -4.33 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 128.256 2.622 . . . . 0.0 117.839 -173.826 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.3 p -141.38 24.1 2.12 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 118.039 2.607 . . . . 0.0 118.039 -168.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -134.86 133.51 39.78 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 117.1 2.259 . . . . 0.0 117.1 -169.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.811 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -108.19 106.1 16.13 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.53 -170.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.465 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 3.5 t80 -93.77 99.99 12.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 125.07 2.367 . . . . 0.0 106.788 -173.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.303 24.8 t -128.03 83.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 111.807 -2.452 . . . . 0.0 107.563 -160.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.93 -6.08 0.08 OUTLIER Pre-proline 0 CA--C 1.553 1.077 0 N-CA-C 118.742 2.867 . . . . 0.0 118.742 -172.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HG2' HD13 ' A' ' 95' ' ' LEU . 1.1 Cg_exo -50.43 -26.03 15.35 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.855 3.037 . . . . 0.0 118.709 176.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.44 162.88 52.2 Favored Pre-proline 0 C--O 1.237 0.409 0 C-N-CA 125.1 1.36 . . . . 0.0 114.472 -169.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -84.27 -177.3 2.93 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 121.947 1.765 . . . . 0.0 110.173 163.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mp -57.93 -12.5 3.28 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.325 1.45 . . . . 0.0 114.331 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.36 -24.81 67.56 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.24 1.816 . . . . 0.0 114.024 171.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.7 151.52 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 119.98 1.263 . . . . 0.0 109.998 169.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.69 179.27 1.73 Allowed 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 125.441 1.496 . . . . 0.0 108.913 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -51.27 -29.51 14.92 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 124.098 0.959 . . . . 0.0 112.96 -174.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.6 p -68.77 -34.25 75.25 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.258 1.39 . . . . 0.0 114.737 173.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -77.02 -43.13 35.81 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 122.686 1.231 . . . . 0.0 108.486 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.472 HD13 HD11 ' A' ' 63' ' ' ILE . 4.9 mt -63.5 -34.87 78.73 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.805 173.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -63.09 -46.34 87.85 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 119.822 -1.799 . . . . 0.0 112.319 171.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -57.16 -37.24 71.78 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.4 mt -90.29 -39.46 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 123.791 0.836 . . . . 0.0 112.627 -174.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.433 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 24.5 m-85 -105.49 -21.67 13.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.78 1.632 . . . . 0.0 114.034 -169.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.01 -34.76 24.22 Favored Glycine 0 CA--C 1.541 1.716 0 CA-C-O 117.704 -1.609 . . . . 0.0 114.648 169.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.06 -26.61 82.91 Favored 'Trans proline' 0 C--N 1.359 1.097 0 CA-C-N 121.204 2.502 . . . . 0.0 114.592 170.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.0 OUTLIER -82.01 -50.36 9.2 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.039 0.836 . . . . 0.0 109.565 -179.373 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.12 -72.2 0.49 Allowed Glycine 0 CA--C 1.537 1.434 0 N-CA-C 119.003 2.361 . . . . 0.0 119.003 166.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -68.63 -35.73 16.21 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.759 2.306 . . . . 0.0 117.038 -165.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.2 mtp 31.65 51.36 0.17 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 126.73 2.012 . . . . 0.0 114.594 -176.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.64 -29.32 37.73 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 126.267 1.827 . . . . 0.0 112.845 -169.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -155.72 157.07 35.99 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 124.024 0.93 . . . . 0.0 111.607 169.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.505 HG13 HG22 ' A' ' 70' ' ' VAL . 2.9 t -151.52 68.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 -168.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -68.01 115.85 7.98 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -176.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.536 ' C ' HD12 ' A' ' 64' ' ' LEU . 44.5 mt -123.26 125.29 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.281 1.033 . . . . 0.0 110.804 -170.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.536 HD12 ' C ' ' A' ' 63' ' ' ILE . 4.0 mp -135.45 94.62 3.13 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 127.407 2.283 . . . . 0.0 109.339 -168.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 48.16 -101.66 0.08 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 125.256 1.422 . . . . 0.0 112.451 -174.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.68 -4.16 87.67 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 126.023 1.773 . . . . 0.0 115.584 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -117.89 151.92 36.43 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 118.986 1.393 . . . . 0.0 112.402 -168.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.28 139.22 45.56 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 126.585 1.954 . . . . 0.0 109.12 174.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.433 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -130.8 79.9 1.92 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 175.578 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.505 HG22 HG13 ' A' ' 61' ' ' VAL . 2.0 t -71.45 156.22 7.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 113.445 -1.707 . . . . 0.0 107.41 178.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -151.13 148.11 27.88 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -169.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.811 ' CE2' HD21 ' A' ' 34' ' ' LEU . 28.0 m-85 -126.62 157.89 37.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.882 170.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -84.77 -4.81 59.23 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.78 -0.575 . . . . 0.0 112.341 173.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.39 163.97 31.5 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.197 1.399 . . . . 0.0 112.611 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.5 -8.23 53.3 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -171.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -79.76 -40.06 29.61 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.364 1.438 . . . . 0.0 111.814 -178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.1 t -61.86 -36.53 81.51 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.425 0.557 . . . . 0.0 110.95 168.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.7 -49.58 67.98 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.598 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.79 -50.61 63.25 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.641 1.176 . . . . 0.0 112.155 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -68.18 -41.33 81.62 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 117.668 -1.158 . . . . 0.0 112.55 175.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.08 78.09 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.587 1.085 . . . . 0.0 109.833 177.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.431 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 13.9 mt -53.0 -60.2 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.618 1.167 . . . . 0.0 110.247 173.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -63.34 -25.07 68.13 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -79.33 -39.33 33.01 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.058 1.743 . . . . 0.0 112.824 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.682 HG13 HG21 ' A' ' 97' ' ' VAL . 10.7 p -150.65 -2.28 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 116.613 2.079 . . . . 0.0 116.613 -167.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.431 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 15.2 t60 -66.09 121.73 15.81 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 119.169 -2.207 . . . . 0.0 112.434 168.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.95 -3.98 83.03 Favored Glycine 0 N--CA 1.47 0.906 0 C-N-CA 124.061 0.839 . . . . 0.0 112.461 169.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -75.73 143.37 42.1 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 126.869 2.068 . . . . 0.0 106.982 168.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.411 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 42.5 t -91.38 120.89 32.63 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.239 0.543 . . . . 0.0 112.178 -177.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.595 ' HB2' HD21 ' A' ' 95' ' ' LEU . 4.4 t80 -112.73 142.47 45.31 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.237 170.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 58.21 -53.43 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 129.389 3.075 . . . . 0.0 115.247 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -157.29 -9.96 0.09 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.621 1.968 . . . . 0.0 114.346 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -159.46 161.73 26.71 Favored Pre-proline 0 CA--C 1.55 0.954 0 CA-C-N 120.148 1.34 . . . . 0.0 111.555 -169.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 89' ' ' SER . 58.7 Cg_endo -78.75 146.05 20.71 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 N-CA-C 117.002 1.885 . . . . 0.0 117.002 -172.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.617 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.6 mm? -66.26 152.35 45.1 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.939 2.096 . . . . 0.0 112.556 172.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -122.57 50.56 1.48 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 124.904 2.288 . . . . 0.0 109.565 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.682 HG21 HG13 ' A' ' 85' ' ' VAL . 59.2 t -67.49 99.47 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 127.974 2.51 . . . . 0.0 107.053 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.855 HG13 ' H ' ' A' ' 99' ' ' TYR 0.286 1.2 p -156.52 -115.76 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 120.692 1.587 . . . . 0.0 113.488 -163.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.855 ' H ' HG13 ' A' ' 98' ' ' VAL . 5.7 m-85 -117.0 13.96 14.94 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 128.556 2.742 . . . . 0.0 110.189 171.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.465 ' CB ' ' HB2' ' A' ' 35' ' ' PHE 0.312 18.1 t . . . . . 0 CA--C 1.535 0.403 0 C-N-CA 130.105 3.362 . . . . 0.0 116.686 -170.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.467 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.6 OUTLIER 65.21 -12.77 0.13 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 128.498 2.719 . . . . 0.0 117.178 179.759 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 p -141.65 25.4 2.0 Allowed 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 117.779 2.511 . . . . 0.0 117.779 -164.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 77.6 mtt180 -126.71 126.16 43.03 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -168.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.688 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -106.61 103.18 12.57 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.56 -1.2 . . . . 0.0 109.356 -170.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.421 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 6.9 t80 -93.35 101.02 13.25 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 124.633 2.159 . . . . 0.0 107.465 -172.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.475 HG12 ' HE1' ' A' ' 39' ' ' PHE 0.254 49.2 t -130.51 91.69 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 112.01 -2.359 . . . . 0.0 109.156 -158.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -126.26 16.13 0.07 OUTLIER Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -169.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -69.85 -30.52 21.74 Favored 'Trans proline' 0 C--N 1.354 0.823 0 CA-C-N 122.574 1.955 . . . . 0.0 114.032 -176.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.475 ' HE1' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -83.57 162.38 53.46 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 125.677 1.591 . . . . 0.0 113.654 -168.327 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -77.78 -169.79 0.82 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 122.652 2.235 . . . . 0.0 111.01 165.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.748 ' H ' HD22 ' A' ' 41' ' ' LEU . 1.1 mm? -50.31 -23.35 2.25 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.288 1.835 . . . . 0.0 114.037 177.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.54 -16.09 63.76 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.873 1.669 . . . . 0.0 115.097 -175.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.7 p -68.96 139.47 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-N 120.889 1.677 . . . . 0.0 109.163 168.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -149.97 172.01 15.9 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.726 1.21 . . . . 0.0 108.722 -177.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.42 -31.76 55.94 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 118.705 -0.664 . . . . 0.0 112.065 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -60.32 -36.75 78.64 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 172.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -80.65 -41.27 24.1 Favored 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 125.443 1.497 . . . . 0.0 108.737 -176.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' CD1' HD11 ' A' ' 63' ' ' ILE . 7.6 mt -63.57 -35.85 81.85 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.174 170.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.78 -42.31 97.77 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 119.925 -1.735 . . . . 0.0 111.816 172.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -62.31 -39.74 94.0 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 174.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.1 mt -84.88 -36.4 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 123.658 0.783 . . . . 0.0 111.98 -173.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.427 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 19.9 m-85 -106.4 -21.71 13.01 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.52 1.528 . . . . 0.0 113.398 -170.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.73 -33.61 35.04 Favored Glycine 0 CA--C 1.544 1.857 0 CA-C-O 117.588 -1.673 . . . . 0.0 114.927 168.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.24 -26.62 83.04 Favored 'Trans proline' 0 C--N 1.358 1.038 0 CA-C-N 121.482 2.641 . . . . 0.0 114.203 170.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.8 m-30 -78.92 -44.73 22.03 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.609 0.763 . . . . 0.0 109.987 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.65 -80.21 0.34 Allowed Glycine 0 CA--C 1.528 0.882 0 CA-C-N 114.723 -1.126 . . . . 0.0 113.122 167.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -58.61 137.17 78.68 Favored 'Trans proline' 0 CA--C 1.548 1.209 0 C-N-CA 122.821 2.347 . . . . 0.0 111.849 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.4 mtp -153.24 53.82 0.75 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 127.955 2.502 . . . . 0.0 109.803 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -29.49 11.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 113.336 -1.757 . . . . 0.0 114.248 -174.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.49 158.32 37.02 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-O 122.18 0.99 . . . . 0.0 111.693 176.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.419 HG13 HG22 ' A' ' 70' ' ' VAL . 2.2 t -153.77 70.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 112.933 -1.94 . . . . 0.0 107.325 -167.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.86 117.73 11.81 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.49 HD11 ' CD1' ' A' ' 48' ' ' LEU . 77.9 mt -124.74 120.5 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.843 0.857 . . . . 0.0 109.756 -173.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.497 HD13 ' CE1' ' A' ' 69' ' ' PHE . 4.8 mp -127.99 96.74 4.57 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 126.933 2.093 . . . . 0.0 109.353 -167.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 52.21 -90.79 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.217 1.407 . . . . 0.0 112.362 -173.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.95 4.03 35.91 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 126.652 2.072 . . . . 0.0 115.918 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -115.96 150.99 36.28 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.135 1.468 . . . . 0.0 111.211 -172.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.21 139.51 49.72 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 126.043 1.737 . . . . 0.0 109.958 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.497 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -134.81 79.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 176.817 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.579 ' HB ' HD23 ' A' ' 34' ' ' LEU . 1.5 t -69.61 156.27 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 113.258 -1.792 . . . . 0.0 107.415 176.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -154.8 141.99 19.42 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.896 -1.149 . . . . 0.0 107.896 -168.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.688 ' CE2' HD21 ' A' ' 34' ' ' LEU . 15.3 m-85 -127.66 154.73 44.93 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 122.625 1.202 . . . . 0.0 114.033 -173.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -78.67 -11.14 59.96 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.444 1.898 . . . . 0.0 114.187 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.99 173.81 13.42 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.857 2.063 . . . . 0.0 111.172 175.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.66 8.65 44.28 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -171.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -93.37 -42.01 9.52 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.67 1.188 . . . . 0.0 112.702 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.5 t -60.86 -36.13 78.38 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 167.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.12 -51.38 54.76 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.805 174.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.06 -48.21 67.84 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.446 1.021 . . . . 0.0 112.233 176.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -37.99 69.91 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 117.487 -1.244 . . . . 0.0 113.174 175.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.85 -45.47 78.44 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 119.866 1.212 . . . . 0.0 109.677 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.444 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 17.0 mt -53.87 -59.4 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.442 1.097 . . . . 0.0 110.54 172.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -63.55 -22.04 66.68 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -85.52 -37.15 19.98 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.415 1.886 . . . . 0.0 112.887 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.652 HG13 HG21 ' A' ' 97' ' ' VAL . 10.0 p -151.84 -4.8 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 N-CA-C 116.38 1.992 . . . . 0.0 116.38 -167.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 15.9 t60 -65.03 119.41 10.71 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 118.844 -2.41 . . . . 0.0 112.604 168.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.88 0.02 78.77 Favored Glycine 0 N--CA 1.473 1.161 0 C-N-CA 123.673 0.654 . . . . 0.0 112.092 169.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -82.0 137.68 35.05 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 127.152 2.181 . . . . 0.0 107.98 171.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.9 p -82.66 92.91 7.25 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 124.356 1.063 . . . . 0.0 112.096 -172.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.54 ' HB2' HD21 ' A' ' 95' ' ' LEU . 8.0 t80 -86.75 138.37 31.67 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.544 -0.722 . . . . 0.0 111.256 173.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 56.17 -55.62 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 129.241 3.016 . . . . 0.0 116.323 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -153.57 -12.3 0.15 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.989 2.115 . . . . 0.0 113.747 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -157.5 160.97 30.01 Favored Pre-proline 0 N--CA 1.478 0.943 0 CA-C-N 119.82 1.191 . . . . 0.0 112.008 -171.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -77.69 152.96 29.65 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 N-CA-C 115.359 1.254 . . . . 0.0 115.359 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.614 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.3 mm? -75.92 158.57 31.87 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.577 1.951 . . . . 0.0 113.345 173.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -123.11 50.79 1.51 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 124.447 2.07 . . . . 0.0 109.947 169.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.652 HG21 HG13 ' A' ' 85' ' ' VAL . 55.5 t -63.58 99.52 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 126.532 1.933 . . . . 0.0 106.58 175.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.717 HG13 ' H ' ' A' ' 99' ' ' TYR 0.258 0.8 OUTLIER -157.43 -127.32 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 121.008 1.731 . . . . 0.0 112.659 -164.533 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.717 ' H ' HG13 ' A' ' 98' ' ' VAL . 10.7 m-30 -104.69 13.82 30.81 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.711 2.404 . . . . 0.0 110.067 166.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.433 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.311 28.6 t . . . . . 0 N--CA 1.469 0.479 0 C-N-CA 129.721 3.208 . . . . 0.0 114.347 -168.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 CA--C 1.546 0.811 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.28 7.0 p30 48.22 0.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 130.824 3.65 . . . . 0.0 120.315 169.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.43 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 20.5 p -145.38 18.3 1.53 Allowed 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.234 1.379 . . . . 0.0 114.201 -170.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.574 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 46.3 mtt180 -125.99 134.17 51.56 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 -163.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.655 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -111.4 104.06 12.48 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 113.273 -1.785 . . . . 0.0 110.848 -167.44 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -97.47 99.62 11.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 124.343 2.021 . . . . 0.0 108.687 -169.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 m -136.3 129.69 46.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.076 -1.42 . . . . 0.0 108.822 -168.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.551 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -145.63 8.25 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.941 0 N-CA-C 119.938 3.31 . . . . 0.0 119.938 -167.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.551 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 72.3 Cg_exo -47.76 -49.29 13.88 Favored 'Trans proline' 0 C--N 1.355 0.917 0 CA-C-N 123.99 2.461 . . . . 0.0 115.636 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.13 141.71 98.37 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 128.959 2.904 . . . . 0.0 115.348 -168.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -60.38 -162.47 0.03 OUTLIER 'Trans proline' 0 CA--C 1.554 1.486 0 C-N-CA 124.745 3.63 . . . . 0.0 113.273 164.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.456 ' H ' HD22 ' A' ' 41' ' ' LEU . 1.9 mm? -66.61 31.82 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.836 2.054 . . . . 0.0 113.635 172.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -126.37 -19.33 4.68 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 116.48 2.03 . . . . 0.0 116.48 -169.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.2 p -63.21 151.88 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-N 119.666 1.121 . . . . 0.0 109.649 168.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -142.78 165.69 26.7 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 123.71 0.804 . . . . 0.0 110.372 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.21 -24.29 6.99 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 169.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.7 m -72.7 -34.88 67.44 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.718 1.607 . . . . 0.0 113.477 172.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -73.93 -42.78 60.09 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 120.861 -1.149 . . . . 0.0 108.067 177.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.587 ' CD1' HD11 ' A' ' 63' ' ' ILE . 6.1 mt -67.54 -31.15 71.05 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.605 173.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.47 -41.4 97.18 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 119.013 -2.305 . . . . 0.0 112.069 169.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -65.43 -34.84 79.23 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 172.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.4 mt -86.06 -39.89 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.709 0.804 . . . . 0.0 112.676 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.456 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 48.4 m-85 -108.36 -22.15 12.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.403 1.881 . . . . 0.0 113.39 -169.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.58 -33.36 47.87 Favored Glycine 0 CA--C 1.542 1.742 0 CA-C-O 117.583 -1.676 . . . . 0.0 115.057 168.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -58.86 -28.07 86.11 Favored 'Trans proline' 0 C--N 1.359 1.118 0 CA-C-N 121.305 2.553 . . . . 0.0 114.336 170.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.456 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.0 m-30 -80.85 -43.72 19.53 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.798 0.839 . . . . 0.0 110.749 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.69 -69.83 0.41 Allowed Glycine 0 CA--C 1.533 1.202 0 N-CA-C 116.475 1.35 . . . . 0.0 116.475 168.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -85.55 36.05 0.52 Allowed 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.431 2.754 . . . . 0.0 115.545 -166.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.7 ptp -48.07 103.83 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 CA-C-N 120.092 1.315 . . . . 0.0 110.253 167.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.95 -27.92 8.99 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 127.659 2.384 . . . . 0.0 112.271 -166.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -141.85 153.59 44.57 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 123.652 0.781 . . . . 0.0 110.115 168.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 t -151.56 65.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 -168.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -70.47 118.03 12.76 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.587 HD11 ' CD1' ' A' ' 48' ' ' LEU . 76.0 mt -126.54 125.81 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-O 122.04 0.924 . . . . 0.0 110.437 -174.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.544 HD12 ' C ' ' A' ' 63' ' ' ILE . 3.3 mp -130.88 -173.68 3.16 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 128.488 2.715 . . . . 0.0 109.207 -172.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -48.8 41.5 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.371 1 C-N-CA 133.301 4.64 . . . . 0.0 118.518 -173.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.87 22.11 9.68 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 126.281 1.896 . . . . 0.0 112.21 -167.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -133.17 148.16 52.06 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.508 1.154 . . . . 0.0 111.194 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.13 131.17 36.53 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 126.055 1.742 . . . . 0.0 108.502 173.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.503 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -121.92 79.8 1.62 Allowed 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 104.45 -2.426 . . . . 0.0 104.45 174.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.533 ' HB ' HD23 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -68.74 163.33 3.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 113.256 -1.793 . . . . 0.0 107.428 172.387 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -156.48 155.2 31.6 Favored 'General case' 0 C--N 1.313 -1.0 0 O-C-N 121.295 -0.878 . . . . 0.0 108.96 -173.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.655 ' CE2' HD21 ' A' ' 34' ' ' LEU . 14.1 m-85 -128.66 165.34 21.03 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 124.539 1.135 . . . . 0.0 111.134 173.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -97.64 17.26 18.22 Favored 'General case' 0 CA--C 1.557 1.212 0 CA-C-O 121.935 0.874 . . . . 0.0 109.916 167.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -139.05 103.01 4.67 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 128.298 2.639 . . . . 0.0 109.927 -169.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.49 -30.57 63.11 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.025 0.93 . . . . 0.0 112.799 173.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -69.0 -23.08 64.05 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.094 -1.004 . . . . 0.0 112.944 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.535 ' HB3' ' CD2' ' A' ' 72' ' ' PHE . 7.2 t -76.22 -34.1 59.25 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 119.174 0.897 . . . . 0.0 111.921 169.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -61.45 -48.48 80.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.148 169.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.85 -51.37 30.04 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.758 1.163 . . . . 0.0 112.745 171.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -68.96 -42.92 76.0 Favored 'General case' 0 C--N 1.346 0.417 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.7 88.82 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.269 1.028 . . . . 0.0 109.555 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.407 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 18.3 mt -56.98 -58.77 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 124.316 1.046 . . . . 0.0 109.943 174.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -63.4 -27.18 69.13 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -177.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.99 -44.61 47.18 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.855 1.262 . . . . 0.0 112.482 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.494 HG13 HG21 ' A' ' 97' ' ' VAL . 9.4 p -152.83 10.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 -165.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 9.1 t60 -74.28 121.45 21.31 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 119.377 -2.077 . . . . 0.0 111.242 168.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.61 -3.45 86.25 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 125.023 1.297 . . . . 0.0 111.999 176.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.29 136.23 35.76 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 127.699 2.4 . . . . 0.0 108.302 171.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.7 p -77.95 116.52 18.51 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 125.408 1.483 . . . . 0.0 111.963 -173.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -114.25 142.93 45.65 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.973 -0.455 . . . . 0.0 111.464 169.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.25 -59.15 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 128.268 2.627 . . . . 0.0 116.921 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -155.08 -1.15 0.16 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.232 2.213 . . . . 0.0 113.504 -172.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.92 165.2 1.86 Allowed Pre-proline 0 N--CA 1.487 1.417 0 CA-C-N 120.001 1.273 . . . . 0.0 112.786 -178.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -76.68 165.95 27.97 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 122.081 1.854 . . . . 0.0 116.454 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.407 ' CD1' ' HG2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -104.85 145.76 29.94 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.228 3.011 . . . . 0.0 112.935 -171.115 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.15 52.6 0.86 Allowed 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 124.998 2.333 . . . . 0.0 110.686 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.494 HG21 HG13 ' A' ' 85' ' ' VAL . 59.0 t -60.06 107.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 113.482 -1.69 . . . . 0.0 107.981 172.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.498 HG13 ' N ' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -158.81 -140.44 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 117.609 -1.636 . . . . 0.0 115.401 -165.259 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.498 ' N ' HG13 ' A' ' 98' ' ' VAL . 7.0 m-85 -106.53 67.57 0.73 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 104.303 -2.481 . . . . 0.0 104.303 165.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.574 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 17.2 t . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 117.325 2.342 . . . . 0.0 117.325 -168.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.6 m . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 119.138 -0.458 . . . . 0.0 111.815 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.448 ' HA ' ' CD1' ' A' ' 99' ' ' TYR 0.301 0.2 OUTLIER 53.02 -13.57 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 119.368 3.099 . . . . 0.0 119.368 175.383 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.451 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 58.1 p -144.13 31.91 1.24 Allowed 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 116.774 2.138 . . . . 0.0 116.774 -167.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.56 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 7.0 mtt180 -136.15 129.77 32.25 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 120.958 1.708 . . . . 0.0 114.827 -167.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.842 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -111.5 120.41 42.03 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.886 -1.134 . . . . 0.0 112.585 -169.137 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.419 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 81.8 t80 -108.3 102.28 11.42 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 125.04 2.353 . . . . 0.0 105.483 -169.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.308 12.6 t -128.16 103.32 9.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 111.788 -2.46 . . . . 0.0 106.66 -160.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.513 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 29.8 ptt85 -138.28 1.25 0.03 OUTLIER Pre-proline 0 CA--C 1.555 1.157 0 N-CA-C 120.054 3.353 . . . . 0.0 120.054 -164.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 99.0 Cg_exo -54.46 -38.47 89.78 Favored 'Trans proline' 0 C--N 1.356 0.936 0 CA-C-N 123.899 2.428 . . . . 0.0 116.431 176.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.87 162.09 76.15 Favored Pre-proline 0 CA--C 1.535 0.366 0 C-N-CA 126.925 2.09 . . . . 0.0 113.752 -168.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -79.6 -175.39 2.7 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 122.21 1.94 . . . . 0.0 111.535 166.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.6 mp -50.91 -21.93 1.98 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.531 1.933 . . . . 0.0 113.958 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -63.56 -19.68 65.0 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.404 1.882 . . . . 0.0 114.529 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.08 140.0 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 120.821 1.646 . . . . 0.0 111.422 173.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -150.32 171.99 16.1 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 126.247 1.819 . . . . 0.0 109.587 -170.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.41 -29.3 34.2 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-O 118.306 -0.854 . . . . 0.0 112.205 173.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.3 p -66.89 -35.0 79.02 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 120.604 1.547 . . . . 0.0 114.318 173.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.34 -45.4 39.67 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 124.536 2.112 . . . . 0.0 107.996 -176.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.78 -37.25 86.97 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 112.569 -2.105 . . . . 0.0 109.696 171.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -61.68 -40.35 94.67 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.255 -1.528 . . . . 0.0 111.861 173.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -61.24 -40.73 95.14 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 172.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 91.6 mt -82.44 -41.04 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -176.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.499 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 37.3 m-85 -102.02 -23.82 14.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.158 2.183 . . . . 0.0 114.008 -169.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -48.74 -33.41 12.66 Favored Glycine 0 CA--C 1.543 1.829 0 CA-C-O 117.583 -1.676 . . . . 0.0 115.144 171.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -63.06 -22.73 73.62 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 CA-C-N 121.544 2.672 . . . . 0.0 114.89 172.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -80.25 -53.31 6.77 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.077 0.853 . . . . 0.0 111.93 -172.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.25 -118.0 0.8 Allowed Glycine 0 CA--C 1.536 1.38 0 CA-C-O 119.001 -0.888 . . . . 0.0 115.159 -168.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -77.77 -34.92 1.63 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.067 2.511 . . . . 0.0 117.186 -166.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.8 ptm 33.63 60.67 0.49 Allowed 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 123.717 1.723 . . . . 0.0 112.795 -170.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -30.95 70.1 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 127.989 2.516 . . . . 0.0 114.935 -167.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -141.2 152.23 44.45 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.456 0.646 . . . . 0.0 110.692 168.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.6 t -151.2 76.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 124.413 1.085 . . . . 0.0 108.421 -166.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -83.23 123.01 29.16 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.158 -173.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.64 ' C ' HD12 ' A' ' 64' ' ' LEU . 8.5 mm -116.17 126.46 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.674 1.59 . . . . 0.0 111.627 -169.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.64 HD12 ' C ' ' A' ' 63' ' ' ILE . 2.2 mp -135.63 -177.37 4.64 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 127.384 2.274 . . . . 0.0 110.142 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -53.75 40.59 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.476 1 C-N-CA 132.317 4.247 . . . . 0.0 118.634 -170.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.99 6.24 12.71 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 126.45 1.976 . . . . 0.0 112.026 -168.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -130.14 147.18 51.85 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 118.141 0.971 . . . . 0.0 111.424 -170.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.56 135.29 40.21 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 126.671 1.988 . . . . 0.0 108.438 177.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.62 ' CE1' HD13 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -127.69 83.12 2.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 177.683 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.499 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 1.8 t -76.3 160.6 4.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 113.217 -1.81 . . . . 0.0 107.763 178.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -156.73 149.55 23.75 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 121.506 -0.746 . . . . 0.0 109.619 -168.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.842 ' CE2' HD21 ' A' ' 34' ' ' LEU . 38.9 m-85 -128.66 152.9 47.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.629 1.204 . . . . 0.0 112.263 174.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -75.12 -13.69 60.5 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 114.422 -1.263 . . . . 0.0 112.507 169.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -136.13 146.14 46.62 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.32 1.848 . . . . 0.0 113.511 -169.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.29 -24.46 54.41 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -175.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -70.35 -38.27 74.77 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.43 1.014 . . . . 0.0 111.554 -177.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.445 ' HA ' ' HE3' ' A' ' 80' ' ' LYS . 4.9 t -65.32 -34.55 78.61 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 121.472 -0.768 . . . . 0.0 112.576 170.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.451 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -68.76 -50.5 50.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 118.988 0.813 . . . . 0.0 111.838 175.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.1 -47.83 68.28 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.594 1.157 . . . . 0.0 112.1 173.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 77' ' ' SER . 3.2 ptpt -68.83 -40.65 79.33 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 118.202 -0.904 . . . . 0.0 112.519 177.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.66 -46.16 81.23 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 119.162 0.892 . . . . 0.0 110.133 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 9.6 mt -53.9 -57.62 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 121.268 -0.895 . . . . 0.0 110.35 173.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -65.14 -23.94 67.27 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -82.85 -35.49 26.25 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.954 1.702 . . . . 0.0 112.957 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.669 HG13 HG21 ' A' ' 97' ' ' VAL . 12.1 p -150.96 -8.78 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 -166.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -62.76 114.93 3.9 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 119.203 -2.185 . . . . 0.0 112.106 169.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.05 0.01 62.08 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.236 0.922 . . . . 0.0 112.507 170.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -84.22 137.57 33.42 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 127.164 2.186 . . . . 0.0 108.211 175.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.4 p -83.41 97.14 8.8 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.702 1.201 . . . . 0.0 111.96 -171.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.567 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.9 t80 -91.12 142.94 27.2 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.16 -0.963 . . . . 0.0 112.027 170.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.36 -63.54 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 128.389 2.676 . . . . 0.0 115.774 -175.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -151.79 -1.25 0.32 Allowed 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.152 1.781 . . . . 0.0 114.426 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -159.56 162.67 24.89 Favored Pre-proline 0 N--CA 1.477 0.886 0 CA-C-N 119.843 1.201 . . . . 0.0 111.908 -174.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -81.16 152.8 18.59 Favored 'Trans proline' 0 C--N 1.349 0.569 0 N-CA-C 116.013 1.505 . . . . 0.0 116.013 -174.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.568 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.9 mm? -72.32 158.68 35.36 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.368 1.867 . . . . 0.0 112.475 169.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -135.37 52.88 2.0 Allowed 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 125.606 2.622 . . . . 0.0 108.641 -176.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.669 HG21 HG13 ' A' ' 85' ' ' VAL . 51.7 t -73.42 106.92 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 129.626 3.17 . . . . 0.0 108.008 -175.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.77 HG13 ' H ' ' A' ' 99' ' ' TYR 0.279 2.1 p -157.91 -121.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 121.5 1.955 . . . . 0.0 115.807 -162.2 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.77 ' H ' HG13 ' A' ' 98' ' ' VAL . 10.5 m-30 -116.12 45.3 1.78 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 128.498 2.719 . . . . 0.0 108.649 172.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.56 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 17.4 m . . . . . 0 N--CA 1.47 0.534 0 N-CA-C 117.843 2.535 . . . . 0.0 117.843 -167.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 120.358 0.123 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.481 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.7 OUTLIER 61.65 6.26 1.5 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.393 2.277 . . . . 0.0 114.989 -171.015 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.6 p -148.21 22.6 1.07 Allowed 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 -165.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.61 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 4.8 mpt_? -136.64 124.23 22.29 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 123.273 2.76 . . . . 0.0 116.261 -170.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.696 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -104.15 107.36 18.22 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 120.139 -1.601 . . . . 0.0 112.514 -167.84 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -102.6 97.3 7.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 124.377 2.036 . . . . 0.0 111.239 -169.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -128.14 127.28 67.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 122.855 1.312 . . . . 0.0 108.636 -169.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 ptt-85 -147.08 20.79 0.04 OUTLIER Pre-proline 0 CA--C 1.55 0.98 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 -165.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 56.4 Cg_endo -75.5 -21.64 14.74 Favored 'Trans proline' 0 C--N 1.352 0.754 0 CA-C-N 122.478 1.921 . . . . 0.0 114.304 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.457 ' CD1' HG11 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -88.57 159.02 47.6 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 125.747 1.619 . . . . 0.0 113.611 -168.098 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.38 -178.33 3.59 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 123.147 2.565 . . . . 0.0 110.489 167.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mp -55.44 -17.46 5.15 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.11 1.364 . . . . 0.0 114.101 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.17 -21.49 65.12 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.474 1.909 . . . . 0.0 114.973 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.457 HG11 ' CD1' ' A' ' 39' ' ' PHE . 12.8 p -64.7 145.09 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 120.372 1.442 . . . . 0.0 111.326 173.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -164.46 176.02 9.4 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 124.751 1.22 . . . . 0.0 110.3 -175.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.09 -30.19 64.12 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 117.666 -1.159 . . . . 0.0 113.249 -169.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 p -64.13 -33.29 75.45 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 121.446 1.93 . . . . 0.0 114.422 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -81.52 -42.44 20.2 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 125.888 1.675 . . . . 0.0 108.222 -176.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.66 -36.43 83.8 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.479 -1.237 . . . . 0.0 109.994 169.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -62.53 -41.59 98.97 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 119.978 -1.701 . . . . 0.0 112.134 173.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -59.73 -40.5 88.24 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 172.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.3 mt -83.8 -42.09 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -175.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.411 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 35.8 m-85 -103.54 -25.8 13.07 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.288 1.835 . . . . 0.0 113.735 -169.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -48.92 -34.7 16.24 Favored Glycine 0 CA--C 1.544 1.898 0 CA-C-O 117.589 -1.673 . . . . 0.0 114.846 171.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.01 -26.14 81.58 Favored 'Trans proline' 0 C--N 1.359 1.114 0 CA-C-N 121.42 2.61 . . . . 0.0 114.966 171.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.411 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 3.4 m-30 -74.29 -40.42 62.29 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.155 0.888 . . . . 0.0 111.035 -178.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.34 -76.72 0.37 Allowed Glycine 0 CA--C 1.529 0.958 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.515 169.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -78.77 159.22 28.02 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.416 2.744 . . . . 0.0 111.706 175.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 48.4 mtp -150.87 55.8 0.9 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.39 2.276 . . . . 0.0 108.003 168.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.476 ' HB3' ' HA ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -48.59 -31.65 6.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 113.121 -1.854 . . . . 0.0 112.457 -174.521 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -158.27 159.47 36.02 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.79 0.805 . . . . 0.0 112.413 171.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.459 HG13 HG22 ' A' ' 70' ' ' VAL . 1.7 t -151.59 80.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 -168.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 119.6 17.81 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 175.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.569 ' C ' HD12 ' A' ' 64' ' ' LEU . 58.4 mt -129.22 126.75 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.829 1.195 . . . . 0.0 111.938 -173.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.569 HD12 ' C ' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -135.53 -168.17 2.15 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 127.84 2.456 . . . . 0.0 110.034 -172.435 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -45.82 29.76 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.65 1 C-N-CA 134.828 5.251 . . . . 0.0 120.223 -172.086 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.24 13.5 8.27 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 127.169 2.319 . . . . 0.0 110.89 -166.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -129.88 146.21 51.6 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.226 0.611 . . . . 0.0 111.627 -168.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.93 129.98 26.61 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 125.077 1.351 . . . . 0.0 109.38 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.478 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -125.48 78.64 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 179.043 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.541 ' HB ' HD23 ' A' ' 34' ' ' LEU . 1.7 t -70.79 161.2 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 113.428 -1.714 . . . . 0.0 107.849 178.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -152.01 148.31 27.56 Favored 'General case' 0 C--O 1.244 0.803 0 O-C-N 121.263 -0.898 . . . . 0.0 109.418 -170.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.696 ' CE2' HD21 ' A' ' 34' ' ' LEU . 21.6 m-85 -127.55 166.57 17.75 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.134 1.374 . . . . 0.0 113.013 -177.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -113.04 17.03 19.13 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.795 1.638 . . . . 0.0 110.243 167.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -139.91 99.26 3.65 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 128.094 2.558 . . . . 0.0 108.165 -171.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.22 -27.5 67.23 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.585 -0.697 . . . . 0.0 112.829 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -65.85 -26.75 67.79 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.492 -0.755 . . . . 0.0 112.527 171.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.556 ' HA ' ' HE3' ' A' ' 80' ' ' LYS . 8.5 t -74.1 -36.09 64.23 Favored 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 121.108 -0.995 . . . . 0.0 112.083 170.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.44 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 119.569 1.077 . . . . 0.0 110.454 172.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.84 -51.0 55.48 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.254 1.022 . . . . 0.0 112.835 172.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.556 ' HE3' ' HA ' ' A' ' 77' ' ' SER . 1.8 ptpt -70.14 -40.36 74.84 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.62 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.61 -42.79 83.97 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 118.943 0.792 . . . . 0.0 109.619 176.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.448 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 14.1 mt -56.57 -59.62 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.962 0.905 . . . . 0.0 110.263 173.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -62.69 -28.09 69.7 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -177.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.52 -42.81 58.26 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.515 1.526 . . . . 0.0 112.592 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.8 p -155.58 6.1 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -165.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.448 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 8.2 t60 -68.9 120.29 14.56 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 119.324 -2.11 . . . . 0.0 111.814 168.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.05 -5.63 81.7 Favored Glycine 0 N--CA 1.473 1.144 0 C-N-CA 124.932 1.254 . . . . 0.0 112.429 170.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -73.74 136.77 43.7 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 127.668 2.387 . . . . 0.0 108.26 168.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.0 p -77.47 100.54 6.06 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.954 1.302 . . . . 0.0 111.115 -178.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -94.82 146.68 24.03 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.625 -0.672 . . . . 0.0 110.534 171.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.99 -61.32 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 127.14 2.176 . . . . 0.0 114.996 -176.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -155.31 -2.81 0.15 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.322 1.849 . . . . 0.0 114.585 170.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -159.89 163.05 23.54 Favored Pre-proline 0 CA--C 1.55 0.961 0 CA-C-N 120.541 1.519 . . . . 0.0 111.827 -172.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -81.39 167.02 17.69 Favored 'Trans proline' 0 C--N 1.348 0.505 0 N-CA-C 118.043 2.286 . . . . 0.0 118.043 -169.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.428 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 1.3 mp -102.85 144.81 30.69 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 130.067 3.347 . . . . 0.0 112.267 -173.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -119.32 50.68 1.21 Allowed 'General case' 0 N--CA 1.481 1.113 0 CA-C-O 124.795 2.236 . . . . 0.0 110.26 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.04 105.02 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 C-N-CA 126.612 1.965 . . . . 0.0 108.301 174.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.761 HG13 ' H ' ' A' ' 99' ' ' TYR 0.301 0.8 OUTLIER -153.27 -127.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.532 0 C-N-CA 117.572 -1.651 . . . . 0.0 114.664 -165.712 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.761 ' H ' HG13 ' A' ' 98' ' ' VAL . 12.8 m-85 -115.21 18.01 16.38 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 127.611 2.364 . . . . 0.0 110.526 173.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.61 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 22.7 t . . . . . 0 N--CA 1.487 1.378 0 C-N-CA 130.735 3.614 . . . . 0.0 118.329 -171.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.572 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 26.6 m-20 49.84 11.69 0.06 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 129.828 3.251 . . . . 0.0 117.78 177.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.405 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 82.3 p -150.27 25.55 0.8 Allowed 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -166.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.526 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 17.6 mtt180 -138.73 127.92 24.14 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 -166.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.628 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -100.69 104.43 15.72 Favored 'General case' 0 N--CA 1.443 -0.805 0 O-C-N 120.941 -1.099 . . . . 0.0 110.172 -170.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -98.28 103.1 15.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 123.941 1.829 . . . . 0.0 110.059 -172.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -138.14 127.64 33.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 122.774 1.273 . . . . 0.0 109.139 -167.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.97 22.28 0.04 OUTLIER Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 -167.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -70.02 -36.8 9.47 Favored 'Trans proline' 0 C--N 1.353 0.78 0 CA-C-N 121.997 1.749 . . . . 0.0 113.392 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -73.36 155.92 89.39 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 126.751 2.02 . . . . 0.0 114.258 -168.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -75.12 -173.64 1.66 Allowed 'Trans proline' 0 CA--C 1.549 1.227 0 C-N-CA 123.429 2.752 . . . . 0.0 110.544 166.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 mp -53.82 -18.02 2.9 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.724 1.61 . . . . 0.0 114.237 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.55 -23.05 66.79 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.802 2.041 . . . . 0.0 115.147 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.5 p -65.89 138.73 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 CA-C-N 120.519 1.509 . . . . 0.0 112.036 174.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -142.06 174.29 10.74 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.845 1.258 . . . . 0.0 109.731 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -59.7 -20.67 57.85 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 120.952 -1.093 . . . . 0.0 113.765 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -67.98 -35.25 78.03 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.086 1.354 . . . . 0.0 113.955 169.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -82.22 -39.4 23.14 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.331 1.453 . . . . 0.0 107.835 -177.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.445 ' CD1' HD11 ' A' ' 63' ' ' ILE . 8.1 mt -66.91 -29.96 69.98 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.368 169.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -61.68 -43.82 98.13 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 120.261 -1.524 . . . . 0.0 111.715 168.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -60.08 -34.39 73.39 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 170.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.0 mt -85.12 -40.77 15.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 123.635 0.774 . . . . 0.0 112.524 -174.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.548 ' CE2' HG21 ' A' ' 70' ' ' VAL . 69.7 m-85 -109.3 -22.65 11.96 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.658 1.583 . . . . 0.0 114.598 -169.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.04 -32.58 35.29 Favored Glycine 0 CA--C 1.541 1.66 0 CA-C-O 117.346 -1.808 . . . . 0.0 115.455 169.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -60.53 -24.39 78.02 Favored 'Trans proline' 0 C--N 1.361 1.2 0 CA-C-N 121.552 2.676 . . . . 0.0 114.574 173.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 3.4 m-85 -91.9 -45.04 8.57 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.643 1.177 . . . . 0.0 110.834 -177.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 129.43 -74.59 0.44 Allowed Glycine 0 CA--C 1.532 1.103 0 N-CA-C 117.337 1.695 . . . . 0.0 117.337 166.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -82.43 39.09 0.8 Allowed 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 123.771 2.98 . . . . 0.0 116.209 -165.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.04 97.59 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 125.366 1.466 . . . . 0.0 110.214 167.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.443 ' HE2' ' C ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -110.27 -24.0 10.91 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.181 1.792 . . . . 0.0 112.966 -167.11 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -142.46 156.96 45.22 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.348 1.059 . . . . 0.0 109.825 166.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 t -154.99 71.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 126.28 1.832 . . . . 0.0 107.756 -165.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -69.71 126.65 30.37 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 171.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.445 HD11 ' CD1' ' A' ' 48' ' ' LEU . 48.6 mt -128.52 123.27 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.915 0.886 . . . . 0.0 110.542 -178.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -115.65 179.32 4.0 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 128.799 2.839 . . . . 0.0 109.028 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -57.03 47.51 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 130.1 3.36 . . . . 0.0 117.412 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.18 5.27 15.11 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 126.575 2.035 . . . . 0.0 113.492 -169.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -127.48 148.23 50.31 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.331 1.565 . . . . 0.0 110.584 -174.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -142.33 134.11 26.98 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 124.685 1.194 . . . . 0.0 109.795 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -129.11 81.77 2.04 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 -178.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.548 HG21 ' CE2' ' A' ' 52' ' ' PHE . 1.3 t -78.08 155.24 5.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 112.999 -1.909 . . . . 0.0 106.438 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -150.69 146.76 26.67 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 120.753 -1.217 . . . . 0.0 110.156 -166.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.628 ' CE2' HD21 ' A' ' 34' ' ' LEU . 16.6 m-85 -133.11 168.88 17.71 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -173.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -95.98 -11.06 27.11 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -170.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.3 144.32 21.88 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.132 1.373 . . . . 0.0 110.276 -177.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.46 -16.39 64.19 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -170.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -51.4 -45.12 62.41 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.284 1.433 . . . . 0.0 113.967 168.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.1 p -67.31 -44.09 80.02 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 124.98 1.312 . . . . 0.0 112.0 -175.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.405 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -63.69 -49.42 73.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 117.904 -1.046 . . . . 0.0 110.911 170.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.33 -49.82 60.62 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 119.686 1.13 . . . . 0.0 111.897 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -44.5 76.51 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-O 118.169 -0.92 . . . . 0.0 112.84 175.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.25 85.67 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 119.671 1.123 . . . . 0.0 110.571 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.6 mt -54.6 -59.91 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 125.038 1.335 . . . . 0.0 110.596 171.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.42 -33.33 69.56 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -79.76 -39.03 31.9 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.631 1.572 . . . . 0.0 113.674 -174.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.515 HG13 HG21 ' A' ' 97' ' ' VAL . 13.6 p -149.2 1.61 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -166.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -73.45 130.09 39.37 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 119.575 -1.953 . . . . 0.0 111.395 168.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.72 -9.17 72.52 Favored Glycine 0 N--CA 1.472 1.079 0 C-N-CA 125.316 1.436 . . . . 0.0 111.73 172.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.439 ' HE2' ' HA ' ' A' ' 85' ' ' VAL . 1.8 mppt? -76.82 136.95 38.95 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 127.7 2.4 . . . . 0.0 108.973 169.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.2 p -83.75 110.04 17.99 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 125.64 1.576 . . . . 0.0 111.921 -171.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -106.93 144.44 33.56 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 122.005 -0.434 . . . . 0.0 109.924 172.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 53.85 -60.87 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 128.099 2.56 . . . . 0.0 116.299 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -156.6 -5.31 0.11 Allowed 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 126.571 1.949 . . . . 0.0 113.685 -175.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -161.09 165.01 17.85 Favored Pre-proline 0 N--CA 1.476 0.848 0 CA-C-N 120.192 1.36 . . . . 0.0 112.479 177.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -75.09 152.77 40.76 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 N-CA-C 116.478 1.684 . . . . 0.0 116.478 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.506 ' HB3' HG23 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -83.8 141.58 31.27 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 129.87 3.268 . . . . 0.0 112.291 179.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -115.15 50.91 0.95 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 125.898 2.761 . . . . 0.0 109.742 -178.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.515 HG21 HG13 ' A' ' 85' ' ' VAL . 54.8 t -67.18 104.21 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.505 -0.755 0 C-N-CA 127.584 2.354 . . . . 0.0 106.733 -177.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.664 HG13 ' H ' ' A' ' 99' ' ' TYR 0.3 1.1 p -153.76 -128.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.259 0 C-N-CA 116.754 -1.978 . . . . 0.0 114.592 -164.016 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.664 ' H ' HG13 ' A' ' 98' ' ' VAL . 13.0 m-30 -109.58 16.02 22.48 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 127.661 2.384 . . . . 0.0 110.041 168.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.526 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.345 31.3 t . . . . . 0 CA--C 1.549 0.925 0 C-N-CA 131.605 3.962 . . . . 0.0 120.118 -170.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.4 m . . . . . 0 N--CA 1.465 0.285 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.467 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 1.7 m-80 64.27 -15.85 0.08 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.612 2.365 . . . . 0.0 115.886 -177.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.4 p -138.45 32.16 2.31 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 119.054 2.983 . . . . 0.0 119.054 -165.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 6.1 mpt_? -132.92 135.53 45.61 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 121.293 1.861 . . . . 0.0 113.087 -174.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.739 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -114.05 125.74 54.33 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 119.951 -1.718 . . . . 0.0 112.911 -168.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -112.64 109.31 18.77 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 124.233 1.968 . . . . 0.0 105.943 -167.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.297 6.8 t -135.1 100.11 2.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 112.876 -1.965 . . . . 0.0 107.348 -159.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.492 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -141.79 7.73 0.03 OUTLIER Pre-proline 0 CA--C 1.551 1.003 0 N-CA-C 119.952 3.315 . . . . 0.0 119.952 -165.244 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.492 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 76.0 Cg_exo -53.06 -41.91 68.45 Favored 'Trans proline' 0 C--N 1.356 0.963 0 CA-C-N 123.642 2.336 . . . . 0.0 114.843 170.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.88 154.49 94.64 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 126.53 1.932 . . . . 0.0 112.231 -170.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -78.13 -167.49 0.5 Allowed 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 121.597 1.532 . . . . 0.0 110.076 165.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mp -52.47 -14.23 0.46 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.012 1.725 . . . . 0.0 114.836 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -58.42 -33.2 69.42 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.173 2.189 . . . . 0.0 115.558 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -68.35 139.7 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 120.24 1.382 . . . . 0.0 111.967 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -143.16 175.57 9.77 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.817 1.247 . . . . 0.0 110.182 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -53.32 -32.36 48.57 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-O 118.131 -0.938 . . . . 0.0 112.836 176.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.9 p -65.96 -34.27 77.71 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.773 1.624 . . . . 0.0 114.289 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -80.65 -39.65 26.95 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.361 1.064 . . . . 0.0 108.734 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.8 mt -62.85 -39.16 93.53 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.694 168.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.05 -39.98 91.91 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.126 1.33 . . . . 0.0 112.052 174.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -62.21 -42.59 99.44 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 171.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 82.1 mt -80.55 -36.88 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.162 0.985 . . . . 0.0 112.947 -174.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.424 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 47.7 m-85 -106.28 -21.0 13.22 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.662 1.985 . . . . 0.0 114.006 -169.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -48.31 -33.11 10.69 Favored Glycine 0 CA--C 1.543 1.832 0 CA-C-O 117.218 -1.879 . . . . 0.0 115.0 169.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -63.0 -22.85 73.99 Favored 'Trans proline' 0 CA--C 1.546 1.094 0 CA-C-N 121.851 2.826 . . . . 0.0 114.433 172.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.9 m-30 -87.75 -40.83 13.76 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.352 1.061 . . . . 0.0 111.059 -173.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.62 -88.37 0.26 Allowed Glycine 0 CA--C 1.535 1.303 0 N-CA-C 118.491 2.156 . . . . 0.0 118.491 165.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -63.24 -35.57 62.41 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 N-CA-C 118.099 2.307 . . . . 0.0 118.099 -165.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.9 mtp 31.55 50.88 0.15 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 127.34 2.256 . . . . 0.0 114.448 -170.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -25.82 52.66 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 126.997 2.119 . . . . 0.0 113.42 -173.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -152.17 156.51 39.94 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.067 0.461 . . . . 0.0 112.028 169.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 t -154.35 68.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.322 0 C-N-CA 125.177 1.391 . . . . 0.0 108.202 -171.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -66.52 122.44 17.57 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.137 -0.977 . . . . 0.0 108.447 177.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.598 ' C ' HD12 ' A' ' 64' ' ' LEU . 13.6 mm -113.69 124.37 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.46 1.104 . . . . 0.0 110.329 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.604 HD13 ' CE1' ' A' ' 69' ' ' PHE . 4.4 mp -132.56 177.9 7.25 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.777 2.431 . . . . 0.0 109.863 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -58.23 49.66 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 130.305 3.442 . . . . 0.0 117.725 -169.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.01 3.18 18.07 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.985 1.755 . . . . 0.0 113.148 -169.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -132.74 140.96 48.3 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 118.267 1.034 . . . . 0.0 110.831 -171.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.04 135.66 53.74 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 126.4 1.88 . . . . 0.0 107.585 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.604 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -128.76 83.89 2.19 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 177.004 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.424 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 2.1 t -79.22 166.44 2.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 113.299 -1.773 . . . . 0.0 108.342 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.564 ' CD ' ' HE ' ' A' ' 33' ' ' ARG . 26.3 tt0 -160.22 154.74 23.83 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.14 -0.975 . . . . 0.0 110.938 -171.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.739 ' CE2' HD21 ' A' ' 34' ' ' LEU . 25.9 m-85 -132.45 165.53 24.09 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 113.703 -1.589 . . . . 0.0 111.437 169.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -98.71 2.77 47.39 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.21 149.97 42.08 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.159 1.384 . . . . 0.0 111.617 -177.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.81 -23.01 59.61 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -177.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -58.97 -52.67 64.74 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.588 1.086 . . . . 0.0 113.798 174.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.519 ' HB2' ' CG ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -56.36 -46.79 79.84 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 126.55 1.94 . . . . 0.0 112.122 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.83 -47.47 65.95 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 175.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.62 -46.42 77.38 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.411 1.085 . . . . 0.0 112.016 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.2 -39.33 78.71 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-O 117.844 -1.075 . . . . 0.0 112.72 173.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.99 -46.0 78.83 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.468 1.031 . . . . 0.0 110.303 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.9 mt -52.82 -59.25 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.57 0 C-N-CA 124.35 1.06 . . . . 0.0 109.99 172.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -63.32 -25.22 68.21 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.06 -35.0 29.19 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.861 1.665 . . . . 0.0 113.401 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.624 HG13 HG21 ' A' ' 97' ' ' VAL . 7.2 p -147.95 -12.33 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.856 1.799 . . . . 0.0 115.856 -168.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -63.42 119.69 10.21 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 119.44 -2.037 . . . . 0.0 110.777 168.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.05 2.9 58.07 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 123.614 0.626 . . . . 0.0 112.211 171.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -96.64 132.51 42.21 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 126.585 1.954 . . . . 0.0 108.464 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.7 p -79.6 96.75 6.25 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 124.744 1.218 . . . . 0.0 113.267 -169.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.56 ' HB2' HD21 ' A' ' 95' ' ' LEU . 2.6 t80 -95.14 142.01 28.09 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.997 -0.439 . . . . 0.0 111.096 170.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 55.09 -59.97 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 128.574 2.75 . . . . 0.0 117.11 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -151.57 -10.23 0.21 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 126.872 2.069 . . . . 0.0 114.227 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -158.88 164.19 21.83 Favored Pre-proline 0 N--CA 1.475 0.817 0 CA-C-N 119.432 1.015 . . . . 0.0 111.311 -171.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.78 151.62 31.93 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 121.016 1.144 . . . . 0.0 114.754 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.56 HD21 ' HB2' ' A' ' 90' ' ' PHE . 2.0 mm? -69.92 154.25 42.2 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 113.683 -1.599 . . . . 0.0 111.728 169.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -129.07 49.68 2.21 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 125.545 2.593 . . . . 0.0 109.554 -171.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.624 HG21 HG13 ' A' ' 85' ' ' VAL . 50.8 t -72.28 106.29 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 129.086 2.954 . . . . 0.0 107.192 -173.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.873 HG13 ' H ' ' A' ' 99' ' ' TYR 0.282 1.9 p -157.31 -114.39 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 121.43 1.923 . . . . 0.0 114.816 -162.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.873 ' H ' HG13 ' A' ' 98' ' ' VAL . 7.8 m-30 -117.28 11.39 14.02 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.884 2.474 . . . . 0.0 112.121 173.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.594 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 18.1 m . . . . . 0 N--CA 1.479 1.003 2 C-N-CA 133.856 4.862 . . . . 0.0 122.224 -175.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.1 m . . . . . 0 CA--C 1.537 0.454 0 CA-C-O 121.25 0.548 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.538 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 1.9 m-20 61.53 10.65 3.35 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 128.718 2.807 . . . . 0.0 115.029 172.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.424 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 70.1 p -151.8 20.66 0.7 Allowed 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 -164.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.624 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 92.7 mtt180 -134.52 139.04 45.15 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 122.273 2.306 . . . . 0.0 115.857 -164.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.614 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -117.22 109.04 16.39 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 120.2 -1.563 . . . . 0.0 113.649 -167.636 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.486 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 1.1 t80 -102.14 98.89 8.99 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-O 123.725 1.726 . . . . 0.0 109.124 -169.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.7 127.29 58.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 122.853 1.311 . . . . 0.0 107.818 -170.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.597 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 19.6 ptt-85 -147.35 11.41 0.02 OUTLIER Pre-proline 0 CA--C 1.554 1.126 0 N-CA-C 119.698 3.222 . . . . 0.0 119.698 -163.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.597 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 78.2 Cg_exo -54.45 -42.46 67.66 Favored 'Trans proline' 0 C--N 1.356 0.923 0 CA-C-N 123.444 2.266 . . . . 0.0 115.105 172.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.59 137.69 58.9 Favored Pre-proline 0 N--CA 1.448 -0.57 0 C-N-CA 126.839 2.055 . . . . 0.0 113.484 -168.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -65.65 -167.48 0.11 Allowed 'Trans proline' 0 CA--C 1.556 1.615 0 C-N-CA 123.16 2.573 . . . . 0.0 110.991 163.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.7 mp -61.98 -4.9 1.8 Allowed 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -175.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -69.9 -11.49 60.91 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 174.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 p -79.8 146.9 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 119.674 1.124 . . . . 0.0 110.847 169.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -161.73 -169.45 2.25 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.626 1.17 . . . . 0.0 110.784 168.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.68 -36.58 57.3 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -169.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -64.36 -29.73 70.8 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 121.411 1.914 . . . . 0.0 114.34 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -85.14 -41.02 16.08 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 125.095 1.358 . . . . 0.0 108.832 -176.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.67 -39.95 95.54 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.296 169.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -58.23 -44.5 88.26 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 120.789 -1.194 . . . . 0.0 112.066 171.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -60.14 -36.48 77.6 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 173.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.9 mt -84.07 -42.63 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 124.585 1.154 . . . . 0.0 112.659 -175.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.574 ' CE2' HG21 ' A' ' 70' ' ' VAL . 66.9 m-85 -101.8 -31.75 10.6 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.482 1.913 . . . . 0.0 114.248 -171.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.04 -34.52 23.96 Favored Glycine 0 CA--C 1.544 1.88 0 CA-C-O 117.274 -1.848 . . . . 0.0 114.877 174.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -59.15 -25.76 79.24 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 CA-C-N 121.816 2.808 . . . . 0.0 114.779 172.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 4.9 m-85 -81.15 -28.24 35.13 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.075 1.35 . . . . 0.0 112.442 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.79 -83.56 0.31 Allowed Glycine 0 CA--C 1.534 1.271 0 C-N-CA 123.887 0.756 . . . . 0.0 113.095 172.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -81.36 166.03 18.35 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.586 2.858 . . . . 0.0 113.253 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mtp -155.11 97.27 1.91 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 129.64 3.176 . . . . 0.0 104.772 166.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.5 -23.06 15.69 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 125.483 1.513 . . . . 0.0 111.847 -168.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.43 156.82 32.84 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.952 1.701 . . . . 0.0 110.188 167.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.418 HG13 HG22 ' A' ' 70' ' ' VAL . 2.3 t -155.76 78.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 125.494 1.518 . . . . 0.0 107.695 -166.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.73 122.38 24.64 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 174.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.486 ' C ' HD22 ' A' ' 64' ' ' LEU . 49.5 mt -130.41 123.86 56.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.315 1.046 . . . . 0.0 110.004 -174.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.486 HD22 ' C ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -132.97 -175.13 3.68 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 127.637 2.375 . . . . 0.0 110.066 -169.146 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -52.21 46.07 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.33 1 C-N-CA 132.417 4.287 . . . . 0.0 118.206 -173.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.72 24.37 9.31 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 126.373 1.939 . . . . 0.0 112.589 -168.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -136.19 148.75 48.28 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.83 0.852 . . . . 0.0 111.019 -177.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.04 136.19 35.02 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.615 1.166 . . . . 0.0 109.5 169.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -126.45 82.64 2.09 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 126.429 1.891 . . . . 0.0 106.023 174.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.574 HG21 ' CE2' ' A' ' 52' ' ' PHE . 1.8 t -75.57 164.02 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 113.192 -1.822 . . . . 0.0 108.259 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -155.66 145.13 21.02 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 120.95 -1.094 . . . . 0.0 108.965 -168.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.614 ' CE2' HD21 ' A' ' 34' ' ' LEU . 10.6 m-85 -127.61 171.34 11.74 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.999 1.32 . . . . 0.0 111.937 178.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -109.11 10.02 26.09 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.202 1.001 . . . . 0.0 113.019 173.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -131.67 111.41 11.66 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.144 2.178 . . . . 0.0 108.617 -173.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.55 -30.39 69.74 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 120.283 -1.511 . . . . 0.0 113.019 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -65.81 -24.38 66.9 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.384 1.074 . . . . 0.0 113.327 172.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.412 ' HA ' ' HE2' ' A' ' 80' ' ' LYS . 52.9 p -76.16 -38.27 56.9 Favored 'General case' 0 CA--C 1.516 -0.334 0 O-C-N 121.387 -0.821 . . . . 0.0 111.509 178.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -66.85 -44.14 81.79 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.638 167.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.75 -51.72 54.09 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.688 1.131 . . . . 0.0 112.097 177.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' A' ' 77' ' ' SER . 0.2 OUTLIER -66.93 -42.86 84.6 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 118.133 -0.937 . . . . 0.0 112.472 174.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.11 79.28 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.437 1.017 . . . . 0.0 110.633 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.2 mt -56.54 -61.12 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.448 0 C-N-CA 125.002 1.321 . . . . 0.0 110.028 172.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -60.96 -30.48 70.27 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -176.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -71.92 -43.83 64.67 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.962 1.705 . . . . 0.0 113.184 -177.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.506 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 8.6 p -150.08 4.21 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 -166.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -70.45 123.9 22.89 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 119.388 -2.07 . . . . 0.0 111.097 168.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.46 -10.11 72.93 Favored Glycine 0 N--CA 1.471 1.024 0 C-N-CA 125.711 1.624 . . . . 0.0 112.147 173.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.506 ' HE2' ' HA ' ' A' ' 85' ' ' VAL . 2.2 mppt? -75.34 142.61 43.15 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 127.489 2.315 . . . . 0.0 108.064 168.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.465 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 49.5 m -92.9 127.85 38.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.812 0.815 . . . . 0.0 111.953 -174.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -114.82 147.65 39.55 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.68 171.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 55.48 -59.45 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 127.69 2.396 . . . . 0.0 115.73 -174.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -156.54 -6.95 0.1 Allowed 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 127.127 2.171 . . . . 0.0 114.613 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -163.01 165.37 14.91 Favored Pre-proline 0 N--CA 1.482 1.152 0 CA-C-N 119.816 1.189 . . . . 0.0 111.69 -169.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.465 ' HA ' ' HA ' ' A' ' 89' ' ' SER . 60.9 Cg_endo -82.4 161.12 17.3 Favored 'Trans proline' 0 C--N 1.345 0.346 0 N-CA-C 118.301 2.385 . . . . 0.0 118.301 -171.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.42 ' CD1' ' HG2' ' A' ' 38' ' ' PRO . 1.0 OUTLIER -96.21 139.82 31.81 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 130.001 3.32 . . . . 0.0 111.482 -176.813 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -115.76 48.71 1.18 Allowed 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 124.693 2.187 . . . . 0.0 109.02 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.401 HG21 HG13 ' A' ' 85' ' ' VAL . 72.1 t -62.34 109.39 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 C-N-CA 125.975 1.71 . . . . 0.0 108.005 174.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.483 HG13 ' H ' ' A' ' 99' ' ' TYR 0.297 0.5 OUTLIER -156.1 -136.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 N-CA-C 117.539 2.422 . . . . 0.0 117.539 -164.658 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.538 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 16.0 m-30 -105.99 49.26 0.81 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.287 2.235 . . . . 0.0 105.91 165.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.624 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 25.2 m . . . . . 0 N--CA 1.476 0.834 0 C-N-CA 126.395 1.878 . . . . 0.0 113.54 -171.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.411 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.8 OUTLIER 64.13 -24.34 0.07 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 127.067 2.147 . . . . 0.0 116.139 -177.588 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.3 p -140.26 44.74 1.87 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 116.768 2.136 . . . . 0.0 116.768 -166.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.525 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 5.3 mpt_? -136.55 123.5 21.44 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 123.504 1.621 . . . . 0.0 114.999 176.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.564 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -100.31 105.04 16.54 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 120.839 -1.163 . . . . 0.0 110.368 -171.304 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.456 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 4.4 t80 -92.81 97.62 10.88 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 125.349 2.5 . . . . 0.0 106.821 -172.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.485 HG12 ' HE1' ' A' ' 39' ' ' PHE 0.286 40.2 t -126.53 91.72 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 111.627 -2.533 . . . . 0.0 107.213 -160.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.4 ptt85 -125.79 14.83 0.06 OUTLIER Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 118.419 2.748 . . . . 0.0 118.419 -166.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -71.9 -32.13 11.72 Favored 'Trans proline' 0 C--N 1.351 0.673 0 CA-C-N 122.437 1.906 . . . . 0.0 113.042 -177.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.485 ' HE1' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -79.9 157.67 73.69 Favored Pre-proline 0 C--N 1.323 -0.565 0 C-N-CA 125.918 1.687 . . . . 0.0 112.613 -169.258 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -81.83 -159.35 0.11 Allowed 'Trans proline' 0 CA--C 1.548 1.206 0 C-N-CA 122.446 2.097 . . . . 0.0 110.177 165.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.628 ' H ' HD22 ' A' ' 41' ' ' LEU . 1.8 mm? -52.35 -22.89 5.05 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.356 1.463 . . . . 0.0 113.741 174.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -71.28 31.28 0.05 OUTLIER 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 127.878 2.471 . . . . 0.0 115.245 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.9 p -128.67 139.79 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.238 1.415 . . . . 0.0 111.265 168.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -149.34 169.72 20.17 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.123 1.369 . . . . 0.0 109.338 -169.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -30.24 56.84 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -64.39 -33.15 75.18 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.145 -1.597 . . . . 0.0 114.568 172.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -81.96 -40.03 22.83 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 120.269 -1.519 . . . . 0.0 109.208 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.5 HD13 HD11 ' A' ' 63' ' ' ILE . 4.7 mt -65.49 -33.54 76.17 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.693 171.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -62.82 -44.76 95.3 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 119.784 -1.822 . . . . 0.0 111.84 169.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -58.28 -37.53 75.19 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.3 mt -91.98 -34.54 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.056 0.942 . . . . 0.0 112.892 -172.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.482 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 30.0 m-85 -107.76 -18.96 13.69 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.571 1.548 . . . . 0.0 113.581 -172.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.11 -33.13 29.49 Favored Glycine 0 CA--C 1.541 1.697 0 CA-C-O 117.688 -1.618 . . . . 0.0 114.643 168.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -62.32 -25.0 76.25 Favored 'Trans proline' 0 C--N 1.358 1.077 0 CA-C-N 121.538 2.669 . . . . 0.0 114.51 171.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.402 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.9 m-30 -84.5 -49.82 8.29 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.553 0.741 . . . . 0.0 111.312 -175.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.71 -73.1 0.29 Allowed Glycine 0 CA--C 1.54 1.602 0 CA-C-O 118.265 -1.297 . . . . 0.0 115.398 169.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -68.16 32.56 0.15 Allowed 'Trans proline' 0 CA--C 1.548 1.201 0 C-N-CA 124.498 3.466 . . . . 0.0 118.706 -173.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.4 ptm -57.18 69.3 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 127.742 2.417 . . . . 0.0 114.369 170.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -65.28 -36.93 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 130.219 3.408 . . . . 0.0 112.996 -178.348 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -147.77 156.39 42.69 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 121.934 0.873 . . . . 0.0 110.65 173.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.602 HG13 HG22 ' A' ' 70' ' ' VAL . 2.4 t -150.3 72.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 -168.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -71.1 111.02 6.13 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.859 -1.164 . . . . 0.0 107.859 -174.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.588 ' C ' HD12 ' A' ' 64' ' ' LEU . 42.6 mt -120.1 123.14 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.375 1.07 . . . . 0.0 111.985 -168.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.588 HD12 ' C ' ' A' ' 63' ' ' ILE . 5.0 mp -132.79 -178.72 5.07 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 129.004 2.921 . . . . 0.0 109.648 -171.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -56.53 50.56 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 130.898 3.679 . . . . 0.0 117.978 -171.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.75 13.75 17.55 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.255 1.407 . . . . 0.0 113.105 -169.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -134.24 144.56 48.48 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.835 0.826 . . . . 0.0 111.659 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -128.79 131.63 47.81 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 126.66 1.984 . . . . 0.0 107.059 169.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.482 ' HE1' HD13 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -122.74 82.4 1.98 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 172.462 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.602 HG22 HG13 ' A' ' 61' ' ' VAL . 1.7 t -68.94 158.2 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.11 -1.404 . . . . 0.0 107.784 175.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -154.62 142.04 19.65 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 120.964 -1.085 . . . . 0.0 108.443 -168.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.564 ' CE2' HD21 ' A' ' 34' ' ' LEU . 6.1 m-85 -124.75 163.79 21.35 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.776 0.673 . . . . 0.0 111.897 177.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -102.95 7.28 39.21 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.774 0.83 . . . . 0.0 112.641 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -148.02 137.51 22.31 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.395 1.478 . . . . 0.0 110.133 -168.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.05 -29.54 49.35 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 116.463 2.024 . . . . 0.0 116.463 -169.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.1 -32.44 73.59 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 120.458 1.481 . . . . 0.0 112.026 175.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.1 p -59.39 -40.9 88.03 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.825 0.85 . . . . 0.0 112.17 174.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.83 -45.86 56.14 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.508 -0.758 . . . . 0.0 111.03 175.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.52 -47.17 63.4 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 123.76 0.824 . . . . 0.0 111.849 174.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -69.68 -41.72 75.08 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-O 117.574 -1.203 . . . . 0.0 112.481 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.26 -44.67 84.12 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.08 1.309 . . . . 0.0 110.402 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.407 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 14.4 mt -53.73 -59.64 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 124.624 1.17 . . . . 0.0 110.398 172.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -63.97 -25.77 68.28 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -75.89 -41.19 52.77 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.606 1.563 . . . . 0.0 112.574 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.699 HG13 HG21 ' A' ' 97' ' ' VAL . 7.8 p -149.58 -0.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -166.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 12.8 t60 -67.32 120.13 13.33 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 119.359 -2.088 . . . . 0.0 112.556 169.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.35 -2.62 87.48 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.824 1.202 . . . . 0.0 112.176 172.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.68 143.39 40.09 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.787 2.035 . . . . 0.0 107.753 169.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.9 p -91.55 102.64 15.29 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.594 1.158 . . . . 0.0 112.581 -169.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.526 ' HB2' HD21 ' A' ' 95' ' ' LEU . 8.6 t80 -100.5 141.9 32.72 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.702 -0.624 . . . . 0.0 111.866 173.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 53.21 -56.46 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 129.271 3.028 . . . . 0.0 117.039 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -152.63 -10.38 0.18 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.735 2.014 . . . . 0.0 114.123 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -157.4 161.94 28.31 Favored Pre-proline 0 N--CA 1.474 0.728 0 CA-C-N 119.613 1.097 . . . . 0.0 111.988 -171.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.39 149.16 27.32 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 121.132 1.221 . . . . 0.0 114.702 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.543 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.4 mm? -70.23 161.59 30.02 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.05 2.14 . . . . 0.0 113.714 173.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -130.61 48.89 2.36 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 124.835 2.255 . . . . 0.0 109.662 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.699 HG21 HG13 ' A' ' 85' ' ' VAL . 53.1 t -65.26 98.08 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 127.778 2.431 . . . . 0.0 106.682 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.939 HG13 ' H ' ' A' ' 99' ' ' TYR 0.278 1.5 p -157.12 -112.88 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 121.267 1.849 . . . . 0.0 112.958 -163.688 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.939 ' H ' HG13 ' A' ' 98' ' ' VAL . 5.4 m-85 -119.61 12.18 12.22 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 128.798 2.839 . . . . 0.0 110.624 174.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.525 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.37 28.9 t . . . . . 0 CA--C 1.545 0.773 0 C-N-CA 129.837 3.255 . . . . 0.0 118.281 -175.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 m . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.522 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.8 OUTLIER 55.29 6.15 0.15 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.653 1.981 . . . . 0.0 115.608 -168.535 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.3 p -149.64 16.33 0.89 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 118.016 2.599 . . . . 0.0 118.016 -162.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.422 ' CB ' ' HB3' ' A' ' 100' ' ' SER . 56.1 mtt85 -137.5 127.86 26.43 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 125.469 2.557 . . . . 0.0 116.696 -166.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.507 ' HA ' ' H ' ' A' ' 98' ' ' VAL . 0.2 OUTLIER -100.25 97.19 8.01 Favored 'General case' 0 N--CA 1.426 -1.656 0 CA-C-N 113.174 -1.83 . . . . 0.0 110.7 -168.319 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -92.98 94.9 9.16 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 124.318 2.008 . . . . 0.0 110.067 -169.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -124.97 127.31 72.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 123.504 1.621 . . . . 0.0 108.363 -173.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.3 ptt85 -154.24 27.7 0.04 OUTLIER Pre-proline 0 CA--C 1.547 0.85 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -163.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.61 -30.32 6.45 Favored 'Trans proline' 0 C--N 1.354 0.828 0 CA-C-N 121.682 1.637 . . . . 0.0 112.669 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.02 163.75 66.12 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 126.075 1.75 . . . . 0.0 113.643 -168.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -84.54 -163.18 0.18 Allowed 'Trans proline' 0 CA--C 1.55 1.305 0 C-N-CA 123.545 2.83 . . . . 0.0 109.206 165.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 mp -55.29 -18.91 7.14 Favored 'General case' 0 CA--C 1.553 1.076 0 O-C-N 120.317 -1.489 . . . . 0.0 114.098 175.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.69 -17.15 63.83 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.443 2.297 . . . . 0.0 115.951 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.82 143.93 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 122.153 2.251 . . . . 0.0 110.738 170.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.27 173.46 11.94 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.321 0.582 . . . . 0.0 111.233 171.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.55 -27.97 18.89 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 176.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.6 m -73.96 -29.91 62.25 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.788 1.235 . . . . 0.0 113.126 175.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -75.1 -42.0 57.5 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 123.245 1.498 . . . . 0.0 108.559 176.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.6 mt -67.88 -32.66 73.31 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 114.074 -1.421 . . . . 0.0 109.882 173.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.63 -42.05 98.21 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 119.891 -1.756 . . . . 0.0 112.244 170.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -60.65 -36.95 79.96 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 173.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.0 mt -91.4 -32.97 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.848 0.859 . . . . 0.0 113.101 -173.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -109.47 -16.19 14.05 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.65 1.98 . . . . 0.0 112.864 -171.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.18 -33.25 37.72 Favored Glycine 0 CA--C 1.544 1.891 0 CA-C-O 117.319 -1.823 . . . . 0.0 114.366 167.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.88 -28.67 86.75 Favored 'Trans proline' 0 C--N 1.353 0.809 0 CA-C-N 121.701 2.751 . . . . 0.0 113.843 170.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -79.71 -55.06 5.28 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.595 1.158 . . . . 0.0 108.867 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.74 -67.75 0.33 Allowed Glycine 0 CA--C 1.535 1.323 0 N-CA-C 117.502 1.761 . . . . 0.0 117.502 167.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -79.24 27.11 0.53 Allowed 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.986 3.124 . . . . 0.0 116.077 -166.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -42.5 97.16 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 126.24 1.816 . . . . 0.0 112.292 172.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.6 -30.62 16.26 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 128.24 2.616 . . . . 0.0 111.306 -169.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -143.45 156.18 44.57 Favored 'General case' 0 CA--C 1.513 -0.47 0 C-N-CA 123.818 0.847 . . . . 0.0 110.062 169.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.6 t -151.15 63.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 -167.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -71.01 110.57 5.78 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -172.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.63 ' C ' HD12 ' A' ' 64' ' ' LEU . 11.1 mm -107.38 127.17 63.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.954 1.302 . . . . 0.0 109.588 -174.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.63 HD12 ' C ' ' A' ' 63' ' ' ILE . 0.5 OUTLIER -134.4 168.29 19.19 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 126.137 1.775 . . . . 0.0 108.667 176.142 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.67 96.27 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.937 1.295 . . . . 0.0 113.874 168.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.02 5.72 81.0 Favored Glycine 0 CA--C 1.536 1.353 0 N-CA-C 115.549 0.98 . . . . 0.0 115.549 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -130.16 148.97 52.06 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 118.661 1.23 . . . . 0.0 113.202 174.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.47 116.65 11.81 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 126.983 2.113 . . . . 0.0 107.798 172.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.528 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -109.68 82.54 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 175.363 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.405 ' HB ' ' HB2' ' A' ' 34' ' ' LEU . 1.6 t -70.1 159.92 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 114.217 -1.356 . . . . 0.0 107.417 171.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -157.66 153.31 26.53 Favored 'General case' 0 C--N 1.315 -0.927 0 O-C-N 120.779 -1.201 . . . . 0.0 109.219 -167.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.486 ' CE2' HD21 ' A' ' 34' ' ' LEU . 28.0 m-85 -129.36 168.21 16.6 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.852 1.261 . . . . 0.0 110.769 174.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -100.68 5.2 43.7 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 176.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.85 173.13 11.82 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.013 1.725 . . . . 0.0 110.86 170.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.81 -6.9 19.83 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 -171.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -72.91 -38.73 66.79 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.739 -1.226 . . . . 0.0 111.148 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.5 p -58.76 -46.85 86.53 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 126.872 2.069 . . . . 0.0 111.416 170.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.09 79.04 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.118 172.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.72 -49.51 65.26 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 119.142 0.883 . . . . 0.0 112.516 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.5 pttt -67.5 -43.35 81.1 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 118.064 -0.969 . . . . 0.0 113.257 175.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.54 -43.03 84.08 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.347 0.976 . . . . 0.0 109.89 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.0 mt -55.02 -60.41 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.25 0 C-N-CA 124.598 1.159 . . . . 0.0 110.205 173.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -62.3 -29.32 70.35 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.05 -41.97 73.48 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.038 1.335 . . . . 0.0 113.094 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.468 HG13 HG21 ' A' ' 97' ' ' VAL . 7.0 p -152.68 0.06 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -166.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -67.34 121.37 15.57 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 119.152 -2.218 . . . . 0.0 110.169 168.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.53 2.29 57.63 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.411 1.005 . . . . 0.0 112.409 172.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -96.06 130.46 43.07 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 127.149 2.18 . . . . 0.0 108.757 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.3 p -74.53 101.39 4.16 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 125.974 1.71 . . . . 0.0 112.211 -171.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -103.85 145.72 29.7 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.559 -0.713 . . . . 0.0 110.419 171.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 55.73 -55.28 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 128.351 2.66 . . . . 0.0 116.952 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -154.41 -10.5 0.13 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.808 2.043 . . . . 0.0 114.242 174.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -159.59 162.85 24.5 Favored Pre-proline 0 N--CA 1.474 0.759 0 CA-C-N 120.311 1.414 . . . . 0.0 112.054 -170.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.54 150.7 36.24 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 N-CA-C 116.014 1.505 . . . . 0.0 116.014 -176.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.33 143.3 38.88 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 128.793 2.837 . . . . 0.0 112.741 177.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -118.9 48.47 1.46 Allowed 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 125.625 2.631 . . . . 0.0 109.62 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.468 HG21 HG13 ' A' ' 85' ' ' VAL . 57.5 t -61.32 103.93 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 CA-C-N 112.956 -1.929 . . . . 0.0 107.749 176.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.73 HG13 ' H ' ' A' ' 99' ' ' TYR 0.303 0.5 OUTLIER -153.03 -128.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 117.733 -1.587 . . . . 0.0 114.156 -165.038 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.73 ' H ' HG13 ' A' ' 98' ' ' VAL . 15.0 m-30 -111.65 24.15 13.07 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 127.534 2.334 . . . . 0.0 110.029 169.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.422 ' HB3' ' CB ' ' A' ' 33' ' ' ARG 0.293 29.3 t . . . . . 0 CA--C 1.537 0.46 0 C-N-CA 130.869 3.668 . . . . 0.0 119.304 -169.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.47 0.531 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.558 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 20.0 m-20 56.19 11.41 0.77 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 127.317 2.247 . . . . 0.0 114.888 -172.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.0 p -150.31 17.77 0.84 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 117.376 2.361 . . . . 0.0 117.376 -164.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.463 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 49.1 mtt180 -138.75 134.24 33.24 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 123.587 2.903 . . . . 0.0 117.279 -168.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.748 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -110.67 103.08 11.6 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 113.897 -1.501 . . . . 0.0 109.582 -169.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -88.11 100.95 13.34 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 128.218 2.607 . . . . 0.0 105.0 -174.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.478 HG12 ' CE1' ' A' ' 39' ' ' PHE . 22.4 t -134.1 98.45 2.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 113.673 -1.603 . . . . 0.0 109.037 -160.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -132.19 23.75 0.1 OUTLIER Pre-proline 0 CA--C 1.55 0.965 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 -172.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.29 -11.24 24.78 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 CA-C-N 122.162 1.808 . . . . 0.0 113.915 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.478 ' CE1' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -103.6 162.77 18.99 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 125.477 1.511 . . . . 0.0 113.241 -168.706 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.38 -171.73 1.3 Allowed 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 122.838 2.358 . . . . 0.0 111.463 167.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.722 ' H ' HD22 ' A' ' 41' ' ' LEU . 1.5 mm? -47.48 -28.64 2.27 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.583 1.953 . . . . 0.0 113.635 176.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.7 -14.81 62.6 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.153 1.781 . . . . 0.0 115.11 -172.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.09 144.85 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 120.425 1.466 . . . . 0.0 109.031 168.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -150.37 170.86 18.02 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 124.246 1.018 . . . . 0.0 109.25 -175.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -54.42 -30.08 51.28 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.99 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -61.52 -36.6 81.0 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 120.343 1.428 . . . . 0.0 114.725 172.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -80.8 -41.88 22.61 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.398 1.479 . . . . 0.0 108.727 -177.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.495 HD13 HD11 ' A' ' 63' ' ' ILE . 4.6 mt -63.48 -34.92 78.82 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.97 170.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -64.13 -41.93 97.02 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 119.546 -1.971 . . . . 0.0 112.051 172.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -60.58 -38.84 85.9 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 173.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.0 mt -85.55 -37.55 12.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 123.762 0.825 . . . . 0.0 112.782 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.46 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 27.7 m-85 -106.3 -20.01 13.52 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.57 1.548 . . . . 0.0 113.516 -169.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.39 -33.12 31.62 Favored Glycine 0 CA--C 1.543 1.81 0 CA-C-O 117.568 -1.685 . . . . 0.0 115.034 168.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.09 -26.73 83.25 Favored 'Trans proline' 0 C--N 1.359 1.08 0 CA-C-N 121.489 2.645 . . . . 0.0 114.441 171.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.6 m-30 -81.48 -48.61 11.62 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.995 0.918 . . . . 0.0 110.725 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.02 -76.76 0.39 Allowed Glycine 0 CA--C 1.533 1.205 0 N-CA-C 115.757 1.063 . . . . 0.0 115.757 168.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -85.93 48.48 2.08 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 124.025 3.15 . . . . 0.0 114.488 -168.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.0 ptm -60.26 67.04 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 128.044 2.538 . . . . 0.0 112.794 168.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -32.55 67.38 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 130.053 3.341 . . . . 0.0 113.503 -176.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -150.32 160.15 43.93 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 122.247 1.022 . . . . 0.0 110.819 172.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.603 HG13 HG22 ' A' ' 70' ' ' VAL . 1.9 t -149.3 71.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 -170.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -71.14 103.94 2.91 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 -172.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.546 ' C ' HD12 ' A' ' 64' ' ' LEU . 36.3 mt -114.67 123.96 70.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.482 1.113 . . . . 0.0 112.299 -166.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.546 HD12 ' C ' ' A' ' 63' ' ' ILE . 5.2 mp -129.87 -175.78 3.72 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 129.029 2.932 . . . . 0.0 109.342 -173.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -58.64 56.07 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 129.568 3.147 . . . . 0.0 117.327 -170.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.74 -2.82 27.48 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.665 1.603 . . . . 0.0 113.13 -170.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -119.78 148.49 43.36 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.182 0.991 . . . . 0.0 110.778 -169.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.56 129.42 37.01 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 126.352 1.861 . . . . 0.0 107.428 169.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.439 ' CE2' HD13 ' A' ' 64' ' ' LEU . 3.6 m-85 -114.05 82.94 1.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 104.45 -2.426 . . . . 0.0 104.45 167.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.607 ' HB ' HD23 ' A' ' 34' ' ' LEU . 1.9 t -65.11 151.3 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 174.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -147.68 145.23 28.82 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -168.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.748 ' CE2' HD21 ' A' ' 34' ' ' LEU . 18.8 m-85 -123.32 166.37 15.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.947 0.879 . . . . 0.0 112.015 -178.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -105.24 13.01 31.21 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.015 1.326 . . . . 0.0 111.422 169.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -150.93 133.41 15.55 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.864 2.065 . . . . 0.0 110.164 -170.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.59 -17.71 47.34 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.993 0.917 . . . . 0.0 113.242 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -64.59 -37.91 89.2 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 169.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.3 t -65.72 -39.17 90.92 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 118.756 -0.64 . . . . 0.0 111.202 172.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.61 -49.58 72.78 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.084 0.856 . . . . 0.0 111.644 173.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.62 -49.98 64.02 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.348 1.059 . . . . 0.0 112.81 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -38.97 70.03 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 117.963 -1.018 . . . . 0.0 112.972 177.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.66 81.78 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.373 0.988 . . . . 0.0 109.308 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.464 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 17.8 mt -54.12 -58.45 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 124.146 0.978 . . . . 0.0 110.721 172.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -63.31 -21.15 66.08 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -87.75 -36.71 17.18 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.34 1.856 . . . . 0.0 112.983 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.697 HG13 HG21 ' A' ' 97' ' ' VAL . 12.4 p -152.52 -3.06 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -167.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.464 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 14.5 t60 -65.33 119.16 10.44 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 118.962 -2.336 . . . . 0.0 113.259 169.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.74 10.18 83.54 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 123.924 0.773 . . . . 0.0 113.31 168.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -75.09 -62.8 1.43 Allowed 'General case' 0 C--N 1.343 0.288 0 C-N-CA 125.837 1.655 . . . . 0.0 113.33 -169.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.2 t 120.54 114.49 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 131.274 3.83 . . . . 0.0 110.375 -178.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.509 ' HB2' HD21 ' A' ' 95' ' ' LEU . 16.5 t80 -123.87 148.17 47.02 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.004 1.322 . . . . 0.0 110.757 172.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.08 -59.72 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.739 2.416 . . . . 0.0 115.026 -170.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.413 HD21 ' NE2' ' A' ' 93' ' ' GLN . 1.7 p30 -156.1 -3.91 0.12 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.575 1.95 . . . . 0.0 114.566 170.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.413 ' NE2' HD21 ' A' ' 92' ' ' ASN . 18.3 pt20 -156.28 156.23 29.98 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 119.82 1.191 . . . . 0.0 112.683 -167.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.79 166.07 27.6 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.544 2.163 . . . . 0.0 116.185 -171.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.652 ' HB3' HG23 ' A' ' 97' ' ' VAL . 2.5 mm? -100.42 156.87 17.02 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 128.161 2.584 . . . . 0.0 112.077 -174.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -119.13 50.19 1.25 Allowed 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 124.793 2.235 . . . . 0.0 110.008 172.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.697 HG21 HG13 ' A' ' 85' ' ' VAL . 60.3 t -64.04 99.76 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 126.8 2.04 . . . . 0.0 107.125 177.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.853 HG13 ' H ' ' A' ' 99' ' ' TYR 0.295 0.4 OUTLIER -155.32 -118.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.242 0.692 0 CA-C-N 121.02 1.736 . . . . 0.0 112.391 -164.999 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.853 ' H ' HG13 ' A' ' 98' ' ' VAL . 10.3 m-85 -115.73 9.2 15.12 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.708 2.403 . . . . 0.0 111.69 169.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.463 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.38 40.0 t . . . . . 0 CA--C 1.55 0.964 0 C-N-CA 129.434 3.093 . . . . 0.0 116.606 -171.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.492 ' HA ' ' CD1' ' A' ' 99' ' ' TYR 0.343 0.2 OUTLIER 45.77 -13.27 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 121.381 3.845 . . . . 0.0 121.381 176.977 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.435 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 70.9 p -146.48 27.83 1.1 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 -166.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.591 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 0.1 OUTLIER -134.27 125.19 27.21 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 117.022 2.23 . . . . 0.0 117.022 -165.028 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.847 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -104.12 109.45 21.26 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 120.889 -1.132 . . . . 0.0 111.293 -169.324 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.533 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 1.2 t80 -97.9 98.9 10.2 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 124.978 2.323 . . . . 0.0 106.734 -171.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.54 HG21 ' HZ ' ' A' ' 52' ' ' PHE 0.287 33.1 t -126.13 99.54 5.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 111.838 -2.437 . . . . 0.0 108.899 -158.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.472 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 16.4 ptt-85 -137.08 -2.88 0.03 OUTLIER Pre-proline 0 CA--C 1.556 1.179 0 N-CA-C 119.3 3.074 . . . . 0.0 119.3 -168.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.472 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 6.3 Cg_exo -48.66 -42.51 36.05 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 123.777 2.985 . . . . 0.0 117.419 173.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.79 152.32 69.07 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 125.19 1.396 . . . . 0.0 112.087 178.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -73.99 -151.3 0.03 OUTLIER 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 121.901 1.734 . . . . 0.0 109.351 165.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.804 ' H ' HD22 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -58.15 -17.73 20.53 Favored 'General case' 0 CA--C 1.553 1.091 0 O-C-N 120.348 -1.47 . . . . 0.0 113.262 172.306 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.32 37.12 0.07 Allowed 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 129.303 3.041 . . . . 0.0 116.063 -175.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.2 p -136.46 147.46 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.448 1.499 . . . . 0.0 111.237 171.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -158.94 -175.08 5.08 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.409 1.084 . . . . 0.0 111.235 172.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.11 -22.28 50.11 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 -175.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 p -71.76 -33.09 68.37 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 121.011 1.732 . . . . 0.0 114.081 171.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.6 -42.5 22.13 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.663 1.185 . . . . 0.0 108.519 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.61 HD12 HD11 ' A' ' 63' ' ' ILE . 28.8 mt -61.08 -36.11 78.76 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.917 168.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -62.38 -41.69 98.83 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 119.028 -2.295 . . . . 0.0 111.898 174.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -61.47 -38.04 85.8 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 173.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.2 mt -86.93 -37.73 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.932 0.893 . . . . 0.0 113.022 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.54 ' HZ ' HG21 ' A' ' 36' ' ' VAL . 30.0 m-85 -108.59 -22.95 12.04 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.763 2.025 . . . . 0.0 113.277 -169.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.83 -33.36 35.31 Favored Glycine 0 CA--C 1.544 1.871 0 CA-C-O 117.564 -1.687 . . . . 0.0 114.506 169.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.89 -27.28 84.56 Favored 'Trans proline' 0 C--N 1.356 0.926 0 CA-C-N 121.391 2.596 . . . . 0.0 114.503 169.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.415 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.8 m-30 -78.57 -48.36 15.35 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.868 0.867 . . . . 0.0 110.237 179.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.64 -74.17 0.41 Allowed Glycine 0 CA--C 1.539 1.572 0 N-CA-C 119.287 2.475 . . . . 0.0 119.287 165.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.4 -37.08 3.46 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 123.263 2.642 . . . . 0.0 117.914 -165.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.6 mtp 33.96 53.48 0.51 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 126.441 1.896 . . . . 0.0 114.897 -175.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.85 -30.24 44.6 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.204 1.802 . . . . 0.0 113.319 -172.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -152.0 156.55 40.21 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 122.276 1.036 . . . . 0.0 111.497 169.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.2 t -151.66 70.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 -167.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -75.34 121.71 22.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.61 HD11 HD12 ' A' ' 48' ' ' LEU . 14.9 mt -132.52 129.36 58.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-O 122.574 1.178 . . . . 0.0 110.395 -173.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.524 HD12 ' C ' ' A' ' 63' ' ' ILE . 5.0 mp -123.65 172.62 8.67 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 128.875 2.87 . . . . 0.0 107.62 -174.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -29.71 -58.25 0.17 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.428 1.891 . . . . 0.0 115.138 -169.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.96 38.68 1.68 Allowed Glycine 0 CA--C 1.532 1.127 0 C-N-CA 126.011 1.767 . . . . 0.0 113.233 169.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -138.59 153.56 48.67 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.767 1.227 . . . . 0.0 111.377 -178.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -137.25 141.2 42.01 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 126.236 1.814 . . . . 0.0 109.829 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.496 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -133.94 79.59 1.82 Allowed 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 105.561 -2.015 . . . . 0.0 105.561 177.369 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.57 ' HB ' HD23 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -70.53 158.79 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 112.288 -2.233 . . . . 0.0 106.7 174.438 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -156.89 150.07 24.03 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 120.999 -1.063 . . . . 0.0 108.863 -167.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.847 ' CE2' HD21 ' A' ' 34' ' ' LEU . 26.5 m-85 -131.62 159.77 37.31 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.707 1.203 . . . . 0.0 110.561 176.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -92.37 -3.58 55.11 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.0 163.16 33.44 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.188 1.395 . . . . 0.0 112.201 177.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.1 1.71 55.18 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -169.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -87.78 -46.03 9.81 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 124.473 1.109 . . . . 0.0 112.801 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -60.72 -36.26 78.38 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 168.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.435 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -65.71 -54.48 26.78 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 118.846 -0.597 . . . . 0.0 111.957 174.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.79 -47.06 71.15 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 123.833 0.853 . . . . 0.0 112.067 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.1 -41.7 77.1 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 117.746 -1.121 . . . . 0.0 112.756 175.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.86 77.51 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.761 1.164 . . . . 0.0 110.165 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.7 mt -51.91 -59.93 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.352 1.061 . . . . 0.0 110.679 172.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -64.3 -25.8 68.21 Favored 'General case' 0 CA--C 1.551 0.991 0 O-C-N 121.319 -0.863 . . . . 0.0 113.248 -177.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -79.23 -39.2 33.76 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.551 1.941 . . . . 0.0 112.848 -178.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.623 HG13 HG21 ' A' ' 97' ' ' VAL . 14.4 p -149.14 -3.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 -167.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -66.71 124.94 24.29 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 119.413 -2.054 . . . . 0.0 111.929 169.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.02 -3.38 87.32 Favored Glycine 0 N--CA 1.472 1.044 0 C-N-CA 123.87 0.747 . . . . 0.0 111.93 169.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -81.32 140.61 34.69 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.949 2.1 . . . . 0.0 108.328 169.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.7 p -85.31 92.65 8.5 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 124.897 1.279 . . . . 0.0 112.505 -169.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.55 ' HB2' HD21 ' A' ' 95' ' ' LEU . 8.7 t80 -84.26 137.76 33.3 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.868 -0.52 . . . . 0.0 112.015 173.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.1 -55.1 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 129.117 2.967 . . . . 0.0 116.479 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -152.88 -11.67 0.16 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.25 2.22 . . . . 0.0 113.203 -176.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -165.84 164.4 11.71 Favored Pre-proline 0 N--CA 1.479 1.003 0 CA-C-N 120.476 1.489 . . . . 0.0 112.966 -172.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -80.84 145.74 16.07 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 N-CA-C 116.211 1.581 . . . . 0.0 116.211 -174.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.668 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.9 mm? -62.68 161.67 11.95 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.314 2.245 . . . . 0.0 113.593 172.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -126.57 48.57 2.13 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-O 124.23 1.967 . . . . 0.0 109.434 169.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.668 HG23 ' HB3' ' A' ' 95' ' ' LEU . 53.9 t -64.23 99.07 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 127.635 2.374 . . . . 0.0 107.231 177.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.829 HG13 ' H ' ' A' ' 99' ' ' TYR 0.258 1.3 p -158.29 -122.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 120.878 1.672 . . . . 0.0 114.612 -163.283 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.829 ' H ' HG13 ' A' ' 98' ' ' VAL . 6.7 m-85 -114.49 67.37 0.68 Allowed 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 130.265 3.426 . . . . 0.0 106.078 168.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.591 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 15.3 t . . . . . 0 N--CA 1.471 0.619 0 O-C-N 120.668 -1.27 . . . . 0.0 110.133 177.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.469 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 1.0 OUTLIER 54.4 8.09 0.18 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 128.019 2.528 . . . . 0.0 115.525 -170.621 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.6 p -147.74 12.9 1.02 Allowed 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 117.234 2.309 . . . . 0.0 117.234 -163.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 43.3 mtt-85 -130.82 129.39 42.31 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 119.542 3.164 . . . . 0.0 119.542 -165.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.612 HD21 ' CZ ' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -100.53 101.94 12.99 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 114.197 -1.365 . . . . 0.0 110.354 -172.3 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.433 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 1.5 t80 -95.41 101.11 12.81 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 124.195 1.95 . . . . 0.0 109.688 -174.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.403 ' CG1' ' HG ' ' A' ' 95' ' ' LEU . 28.0 m -133.06 129.69 57.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.45 -1.25 . . . . 0.0 108.7 -168.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -151.61 17.57 0.02 OUTLIER Pre-proline 0 CA--C 1.552 1.031 0 N-CA-C 117.475 2.398 . . . . 0.0 117.475 -165.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 60.5 Cg_endo -73.76 -25.91 14.1 Favored 'Trans proline' 0 C--N 1.353 0.807 0 CA-C-N 122.679 1.992 . . . . 0.0 113.756 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.437 ' CD1' HG11 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -74.76 157.47 85.79 Favored Pre-proline 0 CA--C 1.538 0.488 0 C-N-CA 125.745 1.618 . . . . 0.0 113.003 -169.763 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.66 -175.69 1.21 Allowed 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.215 1.943 . . . . 0.0 110.364 166.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.653 ' H ' HD22 ' A' ' 41' ' ' LEU . 1.1 mm? -58.83 -16.46 17.31 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.048 1.339 . . . . 0.0 113.857 -176.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.86 -17.98 63.4 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.246 2.219 . . . . 0.0 115.897 -175.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.437 HG11 ' CD1' ' A' ' 39' ' ' PHE . 6.8 p -60.14 141.55 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 CA-C-N 120.845 1.657 . . . . 0.0 112.825 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -141.89 173.59 11.37 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.966 1.306 . . . . 0.0 111.23 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -51.06 -30.55 16.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.62 1.168 . . . . 0.0 113.21 173.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.88 -33.69 76.16 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 173.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -83.81 -39.94 19.35 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.61 1.564 . . . . 0.0 108.482 -176.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.5 mt -62.72 -38.51 90.74 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.07 168.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -59.93 -41.76 92.49 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.724 -1.235 . . . . 0.0 112.719 172.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -59.68 -37.19 78.11 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 171.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.8 mt -80.17 -40.41 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.355 1.062 . . . . 0.0 112.457 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.585 ' CE2' HG21 ' A' ' 70' ' ' VAL . 55.3 m-85 -105.84 -25.11 12.3 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.348 1.859 . . . . 0.0 114.802 -169.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.72 -32.19 24.67 Favored Glycine 0 CA--C 1.54 1.654 0 CA-C-O 117.367 -1.796 . . . . 0.0 116.043 171.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.24 -24.94 79.87 Favored 'Trans proline' 0 C--N 1.361 1.23 0 CA-C-N 121.828 2.814 . . . . 0.0 114.141 173.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.6 m-85 -89.96 -44.13 10.09 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.752 1.221 . . . . 0.0 111.564 -177.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.61 -70.69 0.28 Allowed Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.133 1.349 . . . . 0.0 114.512 169.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -63.61 21.2 0.06 OUTLIER 'Trans proline' 0 CA--C 1.545 1.052 1 C-N-CA 125.515 4.144 . . . . 0.0 120.171 -173.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.419 ' HE3' ' HB2' ' A' ' 52' ' ' PHE . 2.7 ptm -49.08 108.91 0.21 Allowed 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 121.487 1.949 . . . . 0.0 109.702 168.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.51 ' HE2' ' C ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -128.28 -21.66 3.52 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.998 1.319 . . . . 0.0 113.631 -164.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.37 153.56 47.69 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.621 0.768 . . . . 0.0 109.984 165.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 t -153.67 77.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 124.447 1.099 . . . . 0.0 108.468 -166.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 127.97 34.96 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 169.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.469 ' C ' HD12 ' A' ' 64' ' ' LEU . 30.8 mt -133.79 123.96 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 122.396 1.093 . . . . 0.0 109.528 176.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.524 HD13 ' CE1' ' A' ' 69' ' ' PHE . 1.2 mp -122.24 172.0 8.61 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 127.376 2.27 . . . . 0.0 107.813 -177.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -12.4 -70.24 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 128.861 2.864 . . . . 0.0 114.648 -176.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.99 36.44 1.92 Allowed Glycine 0 CA--C 1.54 1.609 0 C-N-CA 127.11 2.29 . . . . 0.0 112.707 169.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -134.74 149.74 50.48 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.672 1.589 . . . . 0.0 110.664 -173.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -142.09 139.78 32.33 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.7 1.2 . . . . 0.0 111.423 -177.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.524 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -137.71 82.81 1.94 Allowed 'General case' 0 C--O 1.235 0.303 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 -174.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.585 HG21 ' CE2' ' A' ' 52' ' ' PHE . 1.5 t -84.54 158.8 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 113.674 -1.603 . . . . 0.0 108.353 -174.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -144.52 149.73 36.38 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.924 1.238 . . . . 0.0 110.325 -169.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.612 ' CZ ' HD21 ' A' ' 34' ' ' LEU . 22.9 m-85 -128.1 154.53 45.62 Favored 'General case' 0 C--O 1.231 0.084 0 N-CA-C 115.382 1.623 . . . . 0.0 115.382 -177.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.406 ' N ' ' HE2' ' A' ' 59' ' ' LYS . 10.0 pt-20 -87.74 -7.62 57.11 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.092 1.357 . . . . 0.0 113.041 177.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -129.02 128.66 44.1 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.496 1.519 . . . . 0.0 110.443 169.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.3 -18.55 61.64 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.737 -0.602 . . . . 0.0 111.919 169.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -66.86 -27.54 67.62 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.339 1.056 . . . . 0.0 113.015 170.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.518 ' HA ' ' CE ' ' A' ' 80' ' ' LYS . 12.5 t -76.34 -33.24 58.98 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 119.67 1.123 . . . . 0.0 111.827 169.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.36 -51.11 68.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 118.476 -0.774 . . . . 0.0 109.627 170.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.9 -52.24 25.59 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 124.932 1.293 . . . . 0.0 113.255 171.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.518 ' CE ' ' HA ' ' A' ' 77' ' ' SER . 1.5 ptpt -67.25 -44.74 78.64 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-O 118.731 -0.652 . . . . 0.0 112.129 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.3 -39.76 88.11 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.785 0.72 . . . . 0.0 110.38 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.465 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 16.7 mt -55.89 -59.81 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 123.581 0.752 . . . . 0.0 109.993 173.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -61.69 -31.86 72.03 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -76.81 -40.36 48.31 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.646 1.579 . . . . 0.0 113.191 -176.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.573 HG13 HG21 ' A' ' 97' ' ' VAL . 8.2 p -150.84 2.78 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -165.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.465 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 9.6 t60 -71.1 127.35 32.29 Favored 'General case' 0 N--CA 1.481 1.104 0 O-C-N 119.123 -2.236 . . . . 0.0 111.815 168.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.31 -9.27 67.68 Favored Glycine 0 N--CA 1.471 0.97 0 C-N-CA 125.444 1.497 . . . . 0.0 112.06 171.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.495 ' HE2' ' HA ' ' A' ' 85' ' ' VAL . 1.9 mppt? -74.24 137.98 43.36 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 127.596 2.358 . . . . 0.0 109.051 169.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.0 p -85.46 105.49 16.12 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 125.395 1.478 . . . . 0.0 111.743 -169.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -103.14 146.91 27.68 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.287 0.635 . . . . 0.0 110.245 173.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 59.84 -66.42 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.665 1.986 . . . . 0.0 114.797 -172.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.46 -2.97 0.06 Allowed 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 128.506 2.722 . . . . 0.0 113.587 -178.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -153.82 160.41 30.97 Favored Pre-proline 0 N--CA 1.486 1.355 0 C-N-CA 125.086 1.354 . . . . 0.0 111.02 -170.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -80.48 163.58 21.7 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.794 1.663 . . . . 0.0 115.56 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.6 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.5 mp -101.57 133.45 46.22 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 128.976 2.91 . . . . 0.0 111.911 -173.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -103.05 51.06 0.8 Allowed 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 125.09 2.376 . . . . 0.0 109.596 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.6 HG23 ' HB3' ' A' ' 95' ' ' LEU . 57.7 t -65.06 101.26 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.66 0 C-N-CA 126.851 2.06 . . . . 0.0 106.877 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.671 HG13 ' H ' ' A' ' 99' ' ' TYR 0.285 0.7 OUTLIER -154.26 -128.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 117.331 -1.748 . . . . 0.0 113.562 -164.194 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.671 ' H ' HG13 ' A' ' 98' ' ' VAL . 11.2 m-30 -107.53 17.34 22.82 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 127.268 2.227 . . . . 0.0 109.547 166.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.459 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.449 14.0 t . . . . . 0 CA--C 1.543 0.703 0 C-N-CA 131.289 3.836 . . . . 0.0 119.485 -172.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 CA--C 1.539 0.557 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.477 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.8 OUTLIER 59.76 -11.49 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 127.371 2.268 . . . . 0.0 116.966 -169.683 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.6 p -138.88 22.69 2.64 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 117.524 2.416 . . . . 0.0 117.524 -165.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.546 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 21.8 mtt180 -133.14 141.36 48.1 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 121.698 2.044 . . . . 0.0 116.06 -167.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.769 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -114.74 109.89 18.88 Favored 'General case' 0 C--N 1.315 -0.931 0 O-C-N 120.271 -1.518 . . . . 0.0 111.436 -168.557 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.44 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 0.9 OUTLIER -94.59 102.14 14.05 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 -173.119 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.306 15.7 t -128.16 102.03 7.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-N 113.485 -1.689 . . . . 0.0 106.955 -160.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.471 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 19.4 ptt-85 -135.82 0.36 0.04 OUTLIER Pre-proline 0 CA--C 1.553 1.069 0 N-CA-C 121.022 3.712 . . . . 0.0 121.022 -165.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 59.3 Cg_exo -50.91 -36.04 51.61 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.149 2.566 . . . . 0.0 116.501 175.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -76.5 159.36 79.75 Favored Pre-proline 0 CA--C 1.536 0.412 0 C-N-CA 126.041 1.736 . . . . 0.0 113.964 -168.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -81.0 -167.15 0.47 Allowed 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.935 2.424 . . . . 0.0 111.467 166.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.71 ' H ' HD22 ' A' ' 41' ' ' LEU . 1.6 mm? -44.3 -28.16 0.5 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 127.113 2.165 . . . . 0.0 114.048 175.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.19 -22.24 66.87 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.844 2.057 . . . . 0.0 115.116 -173.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.0 p -68.73 133.83 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 120.896 1.68 . . . . 0.0 111.695 174.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -140.08 178.73 7.06 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.477 1.511 . . . . 0.0 109.267 176.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -22.68 29.81 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.2 m -74.51 -30.69 61.9 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.802 1.241 . . . . 0.0 113.072 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -83.8 -38.12 21.68 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.601 1.56 . . . . 0.0 107.876 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.576 HD12 HD11 ' A' ' 63' ' ' ILE . 55.5 mt -64.85 -34.87 79.4 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.082 167.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -61.05 -39.88 91.53 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 119.315 -2.116 . . . . 0.0 112.453 170.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.42 -39.67 80.41 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 171.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.2 mt -87.48 -41.76 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.638 1.175 . . . . 0.0 114.135 -176.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.447 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 56.5 m-85 -100.36 -21.7 15.33 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.4 2.28 . . . . 0.0 113.442 -169.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -47.58 -35.35 10.99 Favored Glycine 0 CA--C 1.543 1.785 0 CA-C-O 117.481 -1.733 . . . . 0.0 115.654 170.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -61.45 -25.51 79.92 Favored 'Trans proline' 0 C--N 1.355 0.898 0 CA-C-N 121.461 2.631 . . . . 0.0 114.254 173.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.401 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.4 m-30 -85.17 -49.24 8.39 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.899 0.88 . . . . 0.0 111.15 -174.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.7 -71.98 0.44 Allowed Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.129 1.347 . . . . 0.0 115.194 169.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -51.68 -52.25 9.42 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 124.17 3.247 . . . . 0.0 117.725 -169.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.3 ptp 22.53 62.68 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 127.573 2.349 . . . . 0.0 114.204 -173.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -33.97 74.21 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 128.676 2.791 . . . . 0.0 114.005 -167.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -145.03 161.25 39.87 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.297 0.57 . . . . 0.0 112.421 169.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 t -153.29 72.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.328 -163.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -69.3 126.1 28.74 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 170.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.576 HD11 HD12 ' A' ' 48' ' ' LEU . 9.5 mt -131.79 126.23 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 119.81 1.186 . . . . 0.0 110.378 177.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.525 HD13 ' CE1' ' A' ' 69' ' ' PHE . 3.4 mp -133.34 92.57 3.02 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 127.42 2.288 . . . . 0.0 109.692 -168.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 38.39 38.53 0.23 Allowed 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 117.12 2.267 . . . . 0.0 117.12 168.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.07 -34.78 2.56 Favored Glycine 0 N--CA 1.471 1.018 0 O-C-N 120.28 -1.513 . . . . 0.0 114.57 -175.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -96.58 147.09 24.23 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 124.759 1.223 . . . . 0.0 110.245 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.74 140.18 51.15 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 126.969 2.108 . . . . 0.0 108.076 173.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.525 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -133.35 81.06 1.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 176.61 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.447 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 1.3 t -74.35 163.28 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 112.78 -2.009 . . . . 0.0 107.701 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -153.4 152.7 31.35 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 121.139 -0.976 . . . . 0.0 109.891 -168.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.769 ' CE2' HD21 ' A' ' 34' ' ' LEU . 22.3 m-85 -129.8 160.47 33.36 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.058 1.343 . . . . 0.0 111.436 171.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -86.71 -8.53 57.33 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.87 156.85 47.94 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.486 1.914 . . . . 0.0 111.499 174.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.62 -4.09 47.18 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -74.23 -43.01 58.76 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 120.834 -1.166 . . . . 0.0 112.445 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 t -65.77 -32.37 73.87 Favored 'General case' 0 CA--C 1.514 -0.432 0 O-C-N 121.344 -0.848 . . . . 0.0 112.165 169.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.66 -48.04 76.26 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 118.359 -0.829 . . . . 0.0 111.303 172.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.2 -51.08 57.2 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 124.16 0.984 . . . . 0.0 112.462 172.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -68.64 -40.32 80.32 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.74 -43.77 85.61 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.436 0.694 . . . . 0.0 109.859 176.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.458 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 15.3 mt -56.15 -55.66 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 121.013 -1.054 . . . . 0.0 110.494 174.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.06 -24.06 66.86 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -88.58 -37.42 15.68 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.445 1.498 . . . . 0.0 113.704 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.806 HG13 HG21 ' A' ' 97' ' ' VAL . 10.9 p -148.51 -9.01 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 116.202 1.927 . . . . 0.0 116.202 -167.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.458 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 10.1 t60 -63.85 118.1 7.89 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 119.423 -2.048 . . . . 0.0 112.906 170.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.99 -1.96 87.76 Favored Glycine 0 N--CA 1.474 1.207 0 C-N-CA 124.474 1.035 . . . . 0.0 111.497 171.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.445 ' HE2' ' CA ' ' A' ' 85' ' ' VAL . 2.3 mppt? -79.76 147.44 31.86 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.98 1.712 . . . . 0.0 106.914 168.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.1 m -95.29 122.95 38.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.095 0.474 . . . . 0.0 111.6 -173.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.628 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.2 t80 -110.43 144.76 38.74 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.024 0.929 . . . . 0.0 111.652 169.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.92 -58.73 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 128.794 2.838 . . . . 0.0 115.69 -173.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -155.41 -4.39 0.14 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.771 2.028 . . . . 0.0 114.322 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -162.94 167.05 12.46 Favored Pre-proline 0 CA--C 1.549 0.909 0 CA-C-N 120.556 1.525 . . . . 0.0 112.83 -170.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -84.92 157.96 11.69 Favored 'Trans proline' 0 C--N 1.346 0.409 0 N-CA-C 118.035 2.283 . . . . 0.0 118.035 -170.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.628 HD21 ' HB2' ' A' ' 90' ' ' PHE . 1.5 mm? -82.35 153.73 25.62 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.565 2.346 . . . . 0.0 113.122 171.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -123.14 53.72 1.29 Allowed 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 125.479 2.562 . . . . 0.0 110.377 175.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.806 HG21 HG13 ' A' ' 85' ' ' VAL . 68.0 t -66.41 99.17 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 127.528 2.331 . . . . 0.0 107.677 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.819 HG13 ' H ' ' A' ' 99' ' ' TYR 0.298 0.3 OUTLIER -156.25 -104.46 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 CA-C-N 120.707 1.594 . . . . 0.0 113.284 -165.359 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.819 ' H ' HG13 ' A' ' 98' ' ' VAL . 8.7 m-85 -125.11 17.07 8.46 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 129.085 2.954 . . . . 0.0 110.526 176.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.546 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.47 1.4 p . . . . . 0 CA--C 1.54 0.582 2 C-N-CA 134.846 5.258 . . . . 0.0 122.266 -171.115 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.731 0.777 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.568 ' CD1' ' H ' ' A' ' 30' ' ' SER . 0.2 OUTLIER -145.26 -154.94 0.57 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 129.461 3.104 . . . . 0.0 104.68 171.023 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.568 ' H ' ' CD1' ' A' ' 29' ' ' LEU . 49.8 m -64.22 -15.81 60.75 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 120.171 -1.58 . . . . 0.0 112.575 166.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.468 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 21.9 m-20 51.6 -11.35 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 131.387 3.875 . . . . 0.0 118.834 177.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.413 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 25.4 p -146.77 22.88 1.25 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 -165.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.651 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 19.6 mtt180 -129.76 129.54 44.25 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -166.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.786 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -105.39 111.05 23.63 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.52 -170.406 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.499 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 1.8 t80 -100.12 93.74 5.88 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 125.162 2.411 . . . . 0.0 106.634 -169.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.43 HG12 ' HE1' ' A' ' 39' ' ' PHE 0.273 39.4 t -122.97 92.71 2.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 111.482 -2.599 . . . . 0.0 108.259 -160.095 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.9 ptt-85 -127.64 19.19 0.08 OUTLIER Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 117.581 2.437 . . . . 0.0 117.581 -168.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -72.14 -34.76 7.74 Favored 'Trans proline' 0 C--N 1.354 0.833 0 CA-C-N 122.555 1.948 . . . . 0.0 113.455 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.43 ' HE1' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -76.56 159.01 80.38 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 127.019 2.127 . . . . 0.0 113.021 -169.013 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -80.25 -159.96 0.12 Allowed 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 122.385 2.057 . . . . 0.0 110.0 164.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.589 ' H ' HD22 ' A' ' 41' ' ' LEU . 2.1 mm? -54.27 -13.09 0.77 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.727 1.611 . . . . 0.0 114.79 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.14 -31.54 71.26 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.913 2.085 . . . . 0.0 114.95 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.0 p -69.28 137.29 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 119.95 1.25 . . . . 0.0 111.942 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -142.17 177.23 8.38 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.076 1.35 . . . . 0.0 109.413 171.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -55.96 -22.9 29.0 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -71.19 -33.01 69.56 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.315 1.416 . . . . 0.0 113.707 173.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -83.2 -37.04 24.16 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 125.648 1.579 . . . . 0.0 108.113 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.0 mt -66.11 -37.83 86.72 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.965 168.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -59.54 -39.29 83.46 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 119.68 -1.887 . . . . 0.0 112.477 172.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -60.96 -42.24 97.88 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 171.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.5 mt -84.07 -39.29 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.462 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 31.0 m-85 -100.94 -27.02 13.53 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.771 2.028 . . . . 0.0 112.808 -168.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -46.67 -36.78 8.42 Favored Glycine 0 CA--C 1.544 1.868 0 CA-C-O 117.921 -1.488 . . . . 0.0 115.622 170.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.8 -24.4 78.9 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 123.341 2.694 . . . . 0.0 115.125 173.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -73.94 -39.37 63.83 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.238 1.015 . . . . 0.0 111.098 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.97 -84.39 0.37 Allowed Glycine 0 CA--C 1.533 1.209 0 C-N-CA 125.756 1.646 . . . . 0.0 111.16 -174.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -62.77 164.88 17.45 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.168 2.579 . . . . 0.0 114.317 173.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.6 ptm 175.4 66.05 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 130.296 3.438 . . . . 0.0 107.968 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.41 -31.98 71.7 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 128.509 2.723 . . . . 0.0 113.514 -168.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -139.46 153.03 47.47 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 123.546 0.739 . . . . 0.0 110.339 168.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.1 t -152.13 64.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 124.251 1.02 . . . . 0.0 108.552 -166.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -70.79 117.79 12.75 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -175.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.624 ' C ' HD12 ' A' ' 64' ' ' LEU . 11.1 mm -110.62 125.44 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.985 1.314 . . . . 0.0 110.702 -176.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.624 HD12 ' C ' ' A' ' 63' ' ' ILE . 4.3 mp -133.29 178.77 6.65 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.737 2.415 . . . . 0.0 109.903 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -57.63 47.19 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 130.587 3.555 . . . . 0.0 118.026 -169.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.88 6.43 14.23 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 126.157 1.837 . . . . 0.0 112.806 -169.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -132.27 143.17 49.72 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 117.994 0.897 . . . . 0.0 110.901 -173.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.74 135.92 51.74 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 126.832 2.053 . . . . 0.0 107.21 173.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.597 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -127.63 84.74 2.28 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 175.003 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.462 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 2.0 t -77.94 162.27 4.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 112.938 -1.937 . . . . 0.0 107.62 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -156.61 152.73 27.55 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 121.36 -0.838 . . . . 0.0 109.896 -169.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.786 ' CE2' HD21 ' A' ' 34' ' ' LEU . 16.1 m-85 -130.75 161.57 31.42 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.329 1.051 . . . . 0.0 111.178 171.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -88.72 1.03 55.86 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.98 169.84 19.02 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.445 1.898 . . . . 0.0 111.775 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.8 -1.11 50.31 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 -169.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -83.66 -40.04 19.46 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.093 -1.004 . . . . 0.0 112.56 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -62.63 -35.0 78.19 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 117.936 0.335 . . . . 0.0 110.533 169.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -65.83 -51.04 62.3 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.517 -0.739 . . . . 0.0 112.058 173.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.71 -47.64 70.32 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 123.81 0.844 . . . . 0.0 112.46 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.7 -39.05 70.45 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 117.87 -1.062 . . . . 0.0 113.321 175.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.94 -46.2 74.94 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 119.569 1.077 . . . . 0.0 109.302 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.427 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 14.3 mt -54.13 -59.81 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.373 0 C-N-CA 124.553 1.141 . . . . 0.0 110.41 173.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -63.95 -23.0 67.17 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -80.33 -38.42 30.61 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.806 1.643 . . . . 0.0 112.881 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.58 HG13 HG21 ' A' ' 97' ' ' VAL . 7.1 p -152.46 -2.48 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 -166.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 13.4 t60 -63.16 116.84 5.77 Favored 'General case' 0 N--CA 1.483 1.197 0 O-C-N 118.928 -2.357 . . . . 0.0 112.769 169.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.58 -1.29 83.77 Favored Glycine 0 N--CA 1.472 1.087 0 C-N-CA 124.36 0.981 . . . . 0.0 112.658 169.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -74.73 142.72 44.35 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 126.703 2.001 . . . . 0.0 107.491 168.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.9 p -86.81 96.61 10.26 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.136 0.974 . . . . 0.0 112.026 -174.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.527 ' HB2' HD21 ' A' ' 95' ' ' LEU . 12.5 t80 -90.87 140.84 29.43 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.46 -0.775 . . . . 0.0 111.594 173.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.61 -59.26 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 128.536 2.734 . . . . 0.0 116.166 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -155.25 -8.68 0.12 Allowed 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 126.926 2.09 . . . . 0.0 113.287 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -162.38 164.6 16.79 Favored Pre-proline 0 CA--C 1.549 0.94 0 CA-C-N 120.123 1.329 . . . . 0.0 112.988 -176.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.93 157.8 30.96 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 N-CA-C 116.345 1.633 . . . . 0.0 116.345 -177.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.572 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.3 mm? -80.35 162.3 24.59 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.616 2.366 . . . . 0.0 114.133 175.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -130.63 51.34 2.13 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 124.882 2.277 . . . . 0.0 110.008 171.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.58 HG21 HG13 ' A' ' 85' ' ' VAL . 66.7 t -64.21 103.52 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 127.798 2.439 . . . . 0.0 107.337 177.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.516 HG13 ' N ' ' A' ' 99' ' ' TYR . 1.0 OUTLIER -159.95 -135.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.522 0 CA-C-N 121.415 1.916 . . . . 0.0 114.315 -163.221 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.516 ' N ' HG13 ' A' ' 98' ' ' VAL . 12.4 m-30 -106.0 68.34 0.77 Allowed 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 127.096 2.159 . . . . 0.0 106.092 165.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.651 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 41.5 t -44.22 137.28 3.56 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -170.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -69.01 15.97 0.06 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 128.435 2.694 . . . . 0.0 115.564 -169.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.2 mp -116.42 130.11 24.74 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 126.205 1.802 . . . . 0.0 109.816 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -84.41 -6.23 10.04 Favored 'Trans proline' 0 CA--C 1.548 1.209 0 C-N-CA 123.885 3.057 . . . . 0.0 114.274 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.306 0 C-N-CA 126.904 2.082 . . . . 0.0 111.979 -174.48 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 121.154 0.502 . . . . 0.0 110.769 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.454 ' CD1' ' H ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -143.36 -171.09 3.42 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.959 2.103 . . . . 0.0 108.91 -177.083 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.454 ' H ' ' CD1' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -66.57 -5.56 11.89 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.287 1.435 . . . . 0.0 114.14 170.521 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.569 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 24.7 m-20 45.55 -5.12 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.006 1 C-N-CA 132.017 4.127 . . . . 0.0 120.499 175.476 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.8 p -145.24 22.64 1.52 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.652 2.094 . . . . 0.0 116.652 -166.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.505 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 8.6 mpt_? -131.65 130.2 41.79 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.352 1.982 . . . . 0.0 116.352 -166.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.681 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -105.83 111.06 23.57 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 120.982 -1.074 . . . . 0.0 110.946 -170.725 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.416 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 3.2 t80 -103.33 103.6 13.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 125.167 2.413 . . . . 0.0 106.942 -170.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.439 HG12 ' HE1' ' A' ' 39' ' ' PHE 0.307 41.6 t -126.78 91.33 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 111.994 -2.366 . . . . 0.0 106.991 -159.788 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -126.02 19.67 0.08 OUTLIER Pre-proline 0 CA--C 1.553 1.094 0 N-CA-C 119.118 3.007 . . . . 0.0 119.118 -167.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HD2' ' CE1' ' A' ' 39' ' ' PHE . 81.3 Cg_endo -77.87 -28.49 5.05 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.361 2.041 . . . . 0.0 114.982 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.439 ' HE1' HG12 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -79.2 161.69 66.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 C-N-CA 125.208 1.403 . . . . 0.0 113.724 -167.711 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -73.21 -167.67 0.37 Allowed 'Trans proline' 0 N--CA 1.449 -1.141 0 C-N-CA 122.064 1.843 . . . . 0.0 113.514 164.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 mp -69.15 41.98 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 126.781 2.032 . . . . 0.0 113.047 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.2 p30 -129.97 1.46 4.79 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.323 2.249 . . . . 0.0 115.404 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -94.34 139.49 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.607 1.163 . . . . 0.0 109.853 169.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -146.55 175.93 10.21 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.42 1.488 . . . . 0.0 109.421 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -27.62 19.21 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 176.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.3 m -72.26 -32.22 66.48 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.512 1.125 . . . . 0.0 113.367 176.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -82.51 -37.02 25.86 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.893 1.277 . . . . 0.0 108.476 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.35 -37.34 87.17 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.317 167.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -61.82 -38.66 88.96 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 120.043 -1.661 . . . . 0.0 112.758 172.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -61.86 -39.38 91.69 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 170.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.3 mt -87.26 -36.01 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.518 1.127 . . . . 0.0 113.302 -174.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.403 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 29.4 m-85 -105.56 -21.37 13.22 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 127.561 2.344 . . . . 0.0 113.373 -171.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.26 -33.76 24.06 Favored Glycine 0 CA--C 1.544 1.891 0 CA-C-O 117.507 -1.719 . . . . 0.0 115.03 169.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -62.42 -26.66 76.75 Favored 'Trans proline' 0 C--N 1.358 1.063 0 CA-C-N 121.43 2.615 . . . . 0.0 114.091 171.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.403 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 3.0 m-30 -78.46 -50.14 12.18 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.734 1.214 . . . . 0.0 109.854 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.72 -66.47 0.41 Allowed Glycine 0 CA--C 1.536 1.357 0 N-CA-C 116.804 1.482 . . . . 0.0 116.804 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -86.45 21.07 1.12 Allowed 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.461 2.774 . . . . 0.0 116.197 -167.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.3 ptm -36.62 91.25 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 127.48 2.312 . . . . 0.0 112.323 170.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.78 -32.9 16.74 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 128.004 2.522 . . . . 0.0 113.213 -166.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.71 156.53 45.04 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.993 0.902 . . . . 0.0 111.998 172.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.6 t -153.45 116.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 113.505 -1.68 . . . . 0.0 108.697 -166.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.12 111.81 16.97 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 -174.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.592 ' C ' HD12 ' A' ' 64' ' ' LEU . 14.6 mm -109.38 123.95 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.981 1.312 . . . . 0.0 109.746 -172.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.592 HD12 ' C ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -135.23 175.73 9.32 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.434 1.894 . . . . 0.0 109.956 -179.09 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -39.35 100.74 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.718 1.607 . . . . 0.0 113.36 167.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.64 -4.53 7.03 Favored Glycine 0 CA--C 1.535 1.33 0 N-CA-C 115.601 1.0 . . . . 0.0 115.601 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -123.42 151.0 43.1 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 122.821 1.296 . . . . 0.0 113.251 -168.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.18 135.29 42.96 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 128.096 2.558 . . . . 0.0 107.293 171.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.575 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -128.83 91.19 3.17 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 173.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.4 165.52 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.139 -1.391 . . . . 0.0 108.198 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -158.51 153.98 25.97 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 121.37 -0.831 . . . . 0.0 110.421 -167.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.681 ' CE2' HD21 ' A' ' 34' ' ' LEU . 36.0 m-85 -130.86 166.84 20.01 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.649 1.58 . . . . 0.0 110.485 172.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -93.64 -5.25 49.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.75 -178.93 6.03 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.658 1.583 . . . . 0.0 111.298 170.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.81 -1.01 21.25 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -169.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -76.41 -37.35 57.23 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 120.38 -1.45 . . . . 0.0 111.105 173.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.8 p -59.33 -46.2 89.26 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.275 1.83 . . . . 0.0 111.976 169.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.64 -47.91 83.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 118.492 -0.766 . . . . 0.0 111.483 171.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.78 -47.82 67.27 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.384 0.993 . . . . 0.0 112.63 175.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -69.31 -40.77 77.46 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 118.597 -0.716 . . . . 0.0 112.667 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.29 -46.53 83.05 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.776 0.716 . . . . 0.0 109.661 178.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.45 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 15.7 mt -53.11 -58.43 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 124.637 1.175 . . . . 0.0 110.625 173.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -64.27 -22.8 67.07 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -83.21 -36.58 24.51 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.721 1.608 . . . . 0.0 113.19 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.77 HG13 HG21 ' A' ' 97' ' ' VAL . 11.0 p -151.73 -4.28 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 -167.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.45 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 14.2 t60 -64.27 119.05 9.54 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 119.016 -2.303 . . . . 0.0 112.868 169.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.03 -3.44 84.55 Favored Glycine 0 N--CA 1.474 1.233 0 C-N-CA 124.28 0.943 . . . . 0.0 112.259 169.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -72.78 142.63 48.09 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 126.915 2.086 . . . . 0.0 107.723 169.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.3 p -91.04 100.16 13.06 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.283 1.033 . . . . 0.0 111.954 -173.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.54 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.3 t80 -94.28 142.08 27.82 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.571 -0.705 . . . . 0.0 111.224 173.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 56.93 -62.38 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 128.117 2.567 . . . . 0.0 115.851 -176.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.403 HD21 ' NE2' ' A' ' 93' ' ' GLN . 2.8 p-10 -153.72 -4.28 0.19 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.617 1.967 . . . . 0.0 114.001 177.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.403 ' NE2' HD21 ' A' ' 92' ' ' ASN . 19.7 pt20 -159.12 160.91 28.7 Favored Pre-proline 0 CA--C 1.548 0.874 0 CA-C-N 119.74 1.155 . . . . 0.0 112.579 -172.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -80.53 158.44 22.22 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 N-CA-C 116.161 1.562 . . . . 0.0 116.161 -172.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.582 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.1 mm? -81.74 155.5 25.46 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.882 2.073 . . . . 0.0 113.096 174.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -124.86 48.1 2.04 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 125.011 2.339 . . . . 0.0 109.316 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.77 HG21 HG13 ' A' ' 85' ' ' VAL . 60.3 t -66.13 102.44 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 128.01 2.524 . . . . 0.0 107.129 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.659 HG13 ' H ' ' A' ' 99' ' ' TYR 0.266 1.6 p -157.82 -127.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 120.619 1.554 . . . . 0.0 114.025 -163.025 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.659 ' H ' HG13 ' A' ' 98' ' ' VAL . 14.5 m-30 -109.08 23.9 13.88 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.348 2.259 . . . . 0.0 110.404 168.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.505 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.276 32.6 t 13.04 88.38 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 129.115 2.966 . . . . 0.0 117.397 -168.65 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 pptp? -63.62 -172.77 0.06 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.328 1.451 . . . . 0.0 111.675 167.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.6 mt -49.39 149.53 3.86 Favored Pre-proline 0 CA--C 1.554 1.096 0 C-N-CA 124.52 1.128 . . . . 0.0 113.997 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.81 -11.68 3.78 Favored 'Trans proline' 0 CA--C 1.547 1.137 0 C-N-CA 125.069 3.846 . . . . 0.0 117.496 176.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.331 0 C-N-CA 125.378 1.471 . . . . 0.0 111.106 171.148 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 120.911 0.386 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.9 -57.59 0.24 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.664 1.586 . . . . 0.0 109.56 176.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 m -175.01 -27.76 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 129.763 3.225 . . . . 0.0 109.333 176.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.514 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.7 OUTLIER 63.3 2.57 1.16 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 128.608 2.763 . . . . 0.0 116.176 167.444 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.7 p -150.8 22.72 0.78 Allowed 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -164.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 36.1 mtt180 -135.84 136.46 40.64 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 121.742 2.065 . . . . 0.0 116.087 -164.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.733 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -115.55 118.88 34.38 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 120.514 -1.366 . . . . 0.0 112.512 -167.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -105.44 98.68 8.34 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 125.054 2.359 . . . . 0.0 106.182 -168.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.407 HG12 ' HE1' ' A' ' 39' ' ' PHE 0.31 25.2 t -126.42 95.69 3.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 111.961 -2.381 . . . . 0.0 107.076 -159.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.443 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -131.66 5.69 0.04 OUTLIER Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 120.94 3.681 . . . . 0.0 120.94 -164.179 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 65.0 Cg_exo -57.84 -41.32 70.7 Favored 'Trans proline' 0 C--N 1.353 0.789 0 CA-C-N 123.607 2.324 . . . . 0.0 115.848 175.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.407 ' HE1' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -70.34 164.01 57.43 Favored Pre-proline 0 CA--C 1.534 0.365 0 C-N-CA 126.076 1.751 . . . . 0.0 114.446 -167.283 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -84.2 -170.64 0.87 Allowed 'Trans proline' 0 CA--C 1.546 1.106 0 C-N-CA 122.732 2.288 . . . . 0.0 110.774 164.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 mp -53.64 -18.32 2.88 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.423 1.489 . . . . 0.0 114.094 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.06 -21.51 66.22 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.605 1.962 . . . . 0.0 114.942 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -66.65 135.76 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 120.567 1.53 . . . . 0.0 111.133 170.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -139.19 178.8 6.92 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.028 1.331 . . . . 0.0 109.45 176.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 pm0 -57.7 -22.53 46.84 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.794 -1.191 . . . . 0.0 113.865 174.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -32.08 71.69 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 120.135 1.334 . . . . 0.0 113.858 171.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -85.43 -38.5 18.6 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 125.721 1.608 . . . . 0.0 107.824 -176.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.446 ' CD1' HD11 ' A' ' 63' ' ' ILE . 78.6 mt -62.8 -39.03 92.98 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.894 166.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -59.54 -38.31 80.71 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 119.599 -1.938 . . . . 0.0 112.119 174.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -59.7 -42.75 93.71 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 172.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.6 mt -83.56 -44.94 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 C-N-CA 124.597 1.159 . . . . 0.0 113.877 -177.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.426 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 47.7 m-85 -94.34 -26.91 16.36 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 127.873 2.469 . . . . 0.0 113.316 -169.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -45.82 -36.74 6.77 Favored Glycine 0 CA--C 1.543 1.784 0 CA-C-O 117.596 -1.669 . . . . 0.0 115.762 173.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.04 -23.49 77.53 Favored 'Trans proline' 0 CA--C 1.545 1.055 0 CA-C-N 121.384 2.592 . . . . 0.0 114.766 174.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.426 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.4 m-30 -78.01 -37.73 46.45 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.904 0.882 . . . . 0.0 111.39 -176.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.49 -80.51 0.27 Allowed Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.332 1.444 . . . . 0.0 111.573 -173.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.93 157.44 28.89 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.293 2.662 . . . . 0.0 113.652 171.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.7 ptm 173.98 60.95 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 130.742 3.617 . . . . 0.0 107.786 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -67.57 -29.2 68.51 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 128.385 2.674 . . . . 0.0 114.353 -168.422 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.57 160.06 42.21 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.998 0.904 . . . . 0.0 111.811 170.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 40.9 t -153.34 115.2 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 126.709 2.003 . . . . 0.0 107.239 -166.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.21 109.37 14.4 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 -176.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.519 ' C ' HD12 ' A' ' 64' ' ' LEU . 42.9 mt -122.64 124.5 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-O 122.408 1.099 . . . . 0.0 110.832 -168.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.519 HD12 ' C ' ' A' ' 63' ' ' ILE . 3.7 mp -128.5 -176.9 3.96 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 129.292 3.037 . . . . 0.0 108.995 -170.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -51.63 39.21 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.328 1 C-N-CA 132.298 4.239 . . . . 0.0 118.862 -174.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.6 9.1 7.9 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 127.039 2.257 . . . . 0.0 113.257 -169.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -133.77 146.96 51.21 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.126 0.963 . . . . 0.0 111.756 -170.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -132.13 133.51 44.36 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 127.745 2.418 . . . . 0.0 108.427 173.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.434 ' HE1' HD13 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -123.74 93.59 3.98 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 171.071 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.433 ' HB ' HD23 ' A' ' 34' ' ' LEU . 1.9 t -86.39 162.58 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.117 -1.401 . . . . 0.0 108.033 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -151.68 150.53 30.34 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.33 -0.856 . . . . 0.0 110.443 -168.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.733 ' CE2' HD21 ' A' ' 34' ' ' LEU . 24.2 m-85 -127.09 160.84 29.96 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -98.22 9.94 41.78 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.796 1.638 . . . . 0.0 111.137 167.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -142.42 108.24 5.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.154 2.182 . . . . 0.0 109.225 -169.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.77 -26.94 67.61 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.558 -0.714 . . . . 0.0 112.708 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -70.71 -21.79 62.52 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.21 -0.931 . . . . 0.0 112.726 172.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.405 ' HA ' ' HE2' ' A' ' 80' ' ' LYS . 8.9 t -72.24 -40.54 67.64 Favored 'General case' 0 CA--C 1.511 -0.531 0 O-C-N 120.749 -1.219 . . . . 0.0 110.409 169.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.05 87.89 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.998 0.817 . . . . 0.0 111.339 170.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.57 -53.48 37.63 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 119.412 1.005 . . . . 0.0 113.042 174.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.405 ' HE2' ' HA ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -70.03 -38.4 75.88 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 118.392 -0.813 . . . . 0.0 112.932 178.288 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.53 -44.93 81.3 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.076 0.853 . . . . 0.0 109.317 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.423 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 14.7 mt -55.07 -58.5 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.191 0.996 . . . . 0.0 109.921 173.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -63.81 -23.46 67.37 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.78 -36.78 23.33 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.196 1.799 . . . . 0.0 113.105 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.714 HG13 HG21 ' A' ' 97' ' ' VAL . 7.1 p -150.06 -11.58 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 -167.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 7.5 t60 -63.84 116.77 6.1 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 119.207 -2.183 . . . . 0.0 111.114 168.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.05 3.17 55.87 Favored Glycine 0 N--CA 1.471 0.974 0 C-N-CA 123.827 0.727 . . . . 0.0 112.266 172.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -97.96 132.81 43.21 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 126.585 1.954 . . . . 0.0 108.505 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.2 p -78.87 98.75 6.47 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 124.619 1.168 . . . . 0.0 113.291 -169.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.544 ' HB2' HD21 ' A' ' 95' ' ' LEU . 3.5 t80 -97.99 143.7 28.29 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.504 -0.747 . . . . 0.0 110.665 169.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.01 -60.51 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 128.658 2.783 . . . . 0.0 117.087 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -150.83 -9.98 0.24 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.715 2.006 . . . . 0.0 113.988 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -158.19 163.38 24.66 Favored Pre-proline 0 N--CA 1.474 0.728 0 C-N-CA 124.522 1.129 . . . . 0.0 111.606 -171.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.8 150.37 30.57 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 CA-C-O 123.025 1.177 . . . . 0.0 114.42 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 90' ' ' PHE . 1.9 mm? -69.82 153.88 42.72 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 113.695 -1.593 . . . . 0.0 112.331 170.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -125.71 50.35 1.84 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 125.552 2.596 . . . . 0.0 109.666 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.714 HG21 HG13 ' A' ' 85' ' ' VAL . 55.1 t -68.19 110.54 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 128.561 2.744 . . . . 0.0 107.621 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.572 HG13 ' H ' ' A' ' 99' ' ' TYR 0.266 0.9 OUTLIER -158.94 -131.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 121.287 1.858 . . . . 0.0 115.389 -163.652 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.572 ' H ' HG13 ' A' ' 98' ' ' VAL . 17.5 m-30 -107.59 51.37 0.74 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.28 2.232 . . . . 0.0 107.766 167.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.594 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 13.5 m -52.76 151.26 4.57 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.727 1.611 . . . . 0.0 114.419 -169.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -149.69 148.62 29.49 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.647 0.779 . . . . 0.0 112.055 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -148.76 -175.33 0.46 Allowed Pre-proline 0 CA--C 1.558 1.27 0 C-N-CA 129.517 3.127 . . . . 0.0 107.918 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -51.97 -25.27 21.53 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 123.084 2.523 . . . . 0.0 116.4 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.355 1.862 . . . . 0.0 110.983 175.164 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.448 HD12 ' H ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -140.69 -174.26 3.92 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.2 1.4 . . . . 0.0 111.229 -178.493 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.448 ' H ' HD12 ' A' ' 29' ' ' LEU . 15.5 m -67.01 -18.14 65.24 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.275 1.83 . . . . 0.0 115.587 174.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.495 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 25.5 m-80 53.67 -6.44 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 129.107 2.963 . . . . 0.0 118.533 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.481 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 18.5 p -144.44 18.78 1.7 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 -166.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.623 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 28.9 mtt180 -126.0 126.68 44.69 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 116.782 2.141 . . . . 0.0 116.782 -165.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.731 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -105.02 107.62 18.7 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 121.065 -1.022 . . . . 0.0 110.818 -169.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.419 ' HB2' ' HB2' ' A' ' 100' ' ' SER 0.25 0.9 OUTLIER -97.18 93.78 6.74 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-O 126.03 2.824 . . . . 0.0 107.17 -170.614 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.326 21.5 t -120.49 102.77 12.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 110.658 -2.974 . . . . 0.0 106.853 -160.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.486 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 14.2 ptt-85 -134.49 -9.36 0.03 OUTLIER Pre-proline 0 CA--C 1.55 0.951 0 N-CA-C 120.131 3.382 . . . . 0.0 120.131 -165.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 7.4 Cg_exo -49.42 -33.99 31.39 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 124.033 3.155 . . . . 0.0 117.946 177.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.07 160.4 80.52 Favored Pre-proline 0 C--O 1.237 0.435 0 C-N-CA 125.771 1.628 . . . . 0.0 113.615 -170.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.97 -173.17 1.77 Allowed 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.013 1.808 . . . . 0.0 110.894 165.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.2 mp -56.44 -13.54 2.36 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.186 1.394 . . . . 0.0 114.595 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -68.12 -10.14 51.77 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.722 2.009 . . . . 0.0 115.442 177.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -82.78 148.7 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-N 120.331 1.423 . . . . 0.0 112.225 172.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -165.56 -169.1 1.48 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.287 1.435 . . . . 0.0 110.643 168.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.82 -20.98 17.24 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -175.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 t -71.82 -34.25 69.16 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.394 1.452 . . . . 0.0 113.104 172.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -85.92 -38.53 17.92 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 125.837 1.655 . . . . 0.0 107.888 -174.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.6 mt -63.44 -37.34 86.92 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.179 165.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.59 -44.42 85.36 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 119.862 -1.774 . . . . 0.0 112.623 171.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -60.84 -41.45 95.82 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.8 mt -83.3 -37.64 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.177 0.991 . . . . 0.0 112.912 -174.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.441 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 34.0 m-85 -101.97 -18.92 15.44 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.152 1.781 . . . . 0.0 113.438 -169.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -47.02 -34.49 7.57 Favored Glycine 0 CA--C 1.542 1.737 0 CA-C-O 117.685 -1.619 . . . . 0.0 115.555 169.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -63.58 -24.7 69.8 Favored 'Trans proline' 0 C--N 1.357 0.979 0 CA-C-N 121.546 2.673 . . . . 0.0 114.491 173.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.407 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.7 m-30 -87.93 -47.72 8.34 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.674 0.79 . . . . 0.0 111.081 -172.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.62 -74.94 0.37 Allowed Glycine 0 CA--C 1.538 1.498 0 N-CA-C 116.359 1.303 . . . . 0.0 116.359 169.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -81.74 33.66 0.53 Allowed 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 124.271 3.314 . . . . 0.0 116.503 -166.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.0 ptp -44.57 106.52 0.07 Allowed 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 120.11 1.323 . . . . 0.0 110.657 168.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -103.72 -44.09 5.17 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 125.346 1.458 . . . . 0.0 113.354 -167.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.03 157.15 43.8 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.202 170.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.433 HG12 HD11 ' A' ' 63' ' ' ILE . 2.9 t -154.2 65.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.184 -164.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -72.59 109.95 6.61 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.701 0.8 . . . . 0.0 109.435 -175.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.531 ' C ' HD12 ' A' ' 64' ' ' LEU . 7.1 mm -106.75 124.09 62.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.217 1.007 . . . . 0.0 109.647 -177.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.57 HD13 ' CE2' ' A' ' 69' ' ' PHE . 4.9 mp -133.82 95.5 3.47 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 124.507 1.123 . . . . 0.0 110.315 -177.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 53.48 -104.27 0.2 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.465 0.706 . . . . 0.0 110.616 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.14 -7.12 83.8 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 126.451 1.977 . . . . 0.0 116.183 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -109.68 155.14 21.89 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.278 1.539 . . . . 0.0 112.594 -169.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.39 130.72 28.83 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 126.56 1.944 . . . . 0.0 108.947 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.57 ' CE2' HD13 ' A' ' 64' ' ' LEU . 2.9 m-85 -121.55 85.44 2.41 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 167.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.461 ' HB ' HD23 ' A' ' 34' ' ' LEU . 2.1 t -70.74 160.94 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 113.833 -1.53 . . . . 0.0 108.096 172.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -150.79 151.13 31.87 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 124.102 0.961 . . . . 0.0 108.821 -172.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.731 ' CE2' HD21 ' A' ' 34' ' ' LEU . 24.0 m-85 -129.27 163.26 26.03 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.522 1.129 . . . . 0.0 112.439 174.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -91.72 -3.23 56.49 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 121.763 0.792 . . . . 0.0 110.58 165.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -121.38 101.86 7.9 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 128.101 2.56 . . . . 0.0 109.097 -169.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.4 -20.81 63.48 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 121.461 -0.774 . . . . 0.0 112.647 173.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -70.29 -24.72 63.08 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.998 -1.064 . . . . 0.0 112.337 169.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.526 ' HA ' ' CE ' ' A' ' 80' ' ' LYS . 9.1 t -77.61 -31.58 53.02 Favored 'General case' 0 CA--C 1.502 -0.871 0 O-C-N 120.876 -1.14 . . . . 0.0 111.702 169.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.481 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -62.38 -49.95 73.48 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 119.02 0.827 . . . . 0.0 109.779 169.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.68 -50.39 54.98 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.705 1.202 . . . . 0.0 113.073 171.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.526 ' CE ' ' HA ' ' A' ' 77' ' ' SER . 1.5 ptpt -69.94 -40.33 75.54 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.464 -0.773 . . . . 0.0 112.915 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.26 -43.49 92.46 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.907 0.883 . . . . 0.0 109.353 176.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.452 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 15.9 mt -55.75 -57.37 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 121.298 -0.876 . . . . 0.0 110.534 173.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -61.78 -24.51 66.89 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.84 -37.75 18.86 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.348 1.459 . . . . 0.0 113.01 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.638 HG13 HG21 ' A' ' 97' ' ' VAL . 13.8 p -152.48 -3.6 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -166.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.452 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 11.5 t60 -66.49 121.14 14.65 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 119.123 -2.235 . . . . 0.0 112.186 169.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.46 -2.74 83.31 Favored Glycine 0 N--CA 1.472 1.09 0 C-N-CA 123.859 0.742 . . . . 0.0 112.304 169.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -75.97 139.89 41.77 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 127.099 2.16 . . . . 0.0 107.936 169.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.9 p -86.16 89.42 7.83 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.956 0.903 . . . . 0.0 112.405 -171.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.552 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.9 t80 -80.85 140.09 35.59 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.587 -0.696 . . . . 0.0 111.065 174.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.23 -60.56 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 128.332 2.653 . . . . 0.0 115.378 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -155.1 -4.15 0.14 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.858 2.063 . . . . 0.0 114.252 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -159.13 162.61 25.83 Favored Pre-proline 0 N--CA 1.478 0.958 0 CA-C-N 120.192 1.36 . . . . 0.0 111.946 -171.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -84.5 146.89 11.0 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 N-CA-C 116.113 1.543 . . . . 0.0 116.113 -171.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' ' 90' ' ' PHE . 2.3 mm? -64.41 160.29 19.44 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.068 2.147 . . . . 0.0 113.278 169.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -129.98 52.08 2.03 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 124.764 2.221 . . . . 0.0 109.757 169.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.638 HG21 HG13 ' A' ' 85' ' ' VAL . 54.3 t -62.46 105.7 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 127.552 2.341 . . . . 0.0 107.519 175.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -158.89 -137.25 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-N 121.059 1.754 . . . . 0.0 113.422 -163.581 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.495 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 15.7 m-30 -106.71 53.22 0.7 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.616 1.966 . . . . 0.0 107.945 167.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.623 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 23.1 t -31.68 111.05 0.08 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.412 1.485 . . . . 0.0 114.497 -169.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 37.02 0.05 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.553 2.341 . . . . 0.0 116.491 -168.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.05 146.97 62.07 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 125.214 1.405 . . . . 0.0 112.658 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -80.78 -177.1 3.52 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 124.413 3.409 . . . . 0.0 112.337 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.148 0 C-N-CA 128.46 2.704 . . . . 0.0 114.763 178.404 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.523 ' CD ' ' H ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.764 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.523 ' H ' ' CD ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -142.54 -56.9 0.44 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 127.65 2.38 . . . . 0.0 108.407 -168.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 m -172.67 -17.09 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.598 1.959 . . . . 0.0 113.797 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.494 ' HA ' ' CD1' ' A' ' 99' ' ' TYR 0.339 6.8 p30 47.44 -7.02 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 119.876 3.288 . . . . 0.0 119.876 -176.714 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.45 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 7.5 p -144.07 20.01 1.77 Allowed 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 -169.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.624 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 13.3 mtt180 -125.23 130.57 52.35 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 117.597 2.443 . . . . 0.0 117.597 -165.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.696 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -109.74 115.42 29.83 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.103 -0.998 . . . . 0.0 110.22 -169.298 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -103.25 97.32 7.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 124.764 2.221 . . . . 0.0 105.525 -169.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.277 14.8 t -126.17 92.02 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 112.279 -2.237 . . . . 0.0 107.479 -160.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.525 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -128.17 -2.99 0.05 OUTLIER Pre-proline 0 CA--C 1.55 0.974 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 -165.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.525 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 73.4 Cg_exo -59.95 -22.01 67.07 Favored 'Trans proline' 0 C--N 1.354 0.83 0 CA-C-N 123.435 2.262 . . . . 0.0 117.82 177.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -79.19 164.21 55.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 C-N-CA 124.525 1.13 . . . . 0.0 112.88 -168.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -83.7 -179.25 4.03 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 121.418 1.412 . . . . 0.0 110.958 164.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 mp -51.75 -20.66 2.25 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.815 1.646 . . . . 0.0 113.94 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.52 -22.75 65.42 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.002 2.121 . . . . 0.0 115.184 176.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.68 144.48 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 CA-C-N 121.345 1.884 . . . . 0.0 111.59 175.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -150.35 172.28 15.64 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 124.574 1.15 . . . . 0.0 110.175 -173.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -47.3 -35.0 7.33 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.61 1.164 . . . . 0.0 112.515 169.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -66.82 -32.79 74.29 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 120.172 1.351 . . . . 0.0 114.594 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -84.39 -37.01 22.03 Favored 'General case' 0 C--N 1.34 0.192 0 O-C-N 120.149 -1.594 . . . . 0.0 109.388 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.6 mt -63.14 -37.73 88.38 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.855 -1.066 . . . . 0.0 108.899 167.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -62.24 -42.34 99.24 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 120.322 -1.486 . . . . 0.0 112.14 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -58.34 -41.52 84.81 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 172.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.9 mt -86.84 -39.15 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.239 1.016 . . . . 0.0 112.874 -172.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.48 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 29.9 m-85 -101.1 -22.43 14.71 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 126.617 1.967 . . . . 0.0 113.476 -171.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -47.05 -36.58 9.24 Favored Glycine 0 CA--C 1.539 1.593 0 CA-C-O 117.882 -1.51 . . . . 0.0 115.617 169.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.45 -25.22 79.53 Favored 'Trans proline' 0 C--N 1.356 0.934 0 CA-C-N 121.269 2.535 . . . . 0.0 114.456 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.9 m-30 -81.17 -42.12 21.33 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.937 0.895 . . . . 0.0 111.349 -177.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.63 -80.55 0.27 Allowed Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.536 1.541 . . . . 0.0 113.458 174.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_exo -67.86 41.79 0.23 Allowed 'Trans proline' 0 CA--C 1.546 1.09 0 C-N-CA 125.056 3.838 . . . . 0.0 118.458 -174.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.8 ptm -62.62 67.23 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 127.116 2.166 . . . . 0.0 113.035 168.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.41 -34.95 76.93 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 129.463 3.105 . . . . 0.0 115.145 -167.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -147.26 152.74 38.81 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 123.901 0.88 . . . . 0.0 112.331 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 t -152.76 88.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 114.437 -1.256 . . . . 0.0 110.749 -163.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -69.79 140.35 53.35 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 166.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.571 ' C ' HD22 ' A' ' 64' ' ' LEU . 10.1 mm -130.54 127.84 62.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.569 1.548 . . . . 0.0 109.6 175.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.571 HD22 ' C ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER -140.0 171.36 14.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 127.217 2.207 . . . . 0.0 109.88 -171.162 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.05 97.83 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.483 1.513 . . . . 0.0 113.552 167.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.86 -7.61 5.25 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 115.175 0.83 . . . . 0.0 115.175 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -122.69 148.58 45.13 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 122.861 1.315 . . . . 0.0 111.941 -168.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.57 137.04 45.31 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 127.384 2.273 . . . . 0.0 107.513 172.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -125.99 86.79 2.58 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 173.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.547 ' HB ' HD23 ' A' ' 34' ' ' LEU . 1.8 t -77.9 159.19 4.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 113.225 -1.807 . . . . 0.0 107.486 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -153.3 147.77 26.02 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -171.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.696 ' CE2' HD21 ' A' ' 34' ' ' LEU . 11.1 m-85 -127.45 164.8 21.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.984 0.897 . . . . 0.0 112.628 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -92.42 -6.87 49.1 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.893 0.877 . . . . 0.0 112.718 171.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -126.74 128.47 46.7 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.079 1.352 . . . . 0.0 111.826 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.94 -24.29 65.94 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.423 0.689 . . . . 0.0 112.293 169.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -65.61 -28.36 69.06 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.092 0.957 . . . . 0.0 112.678 172.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.55 ' HA ' ' CE ' ' A' ' 80' ' ' LYS . 10.5 t -73.3 -35.47 66.12 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 119.066 0.848 . . . . 0.0 111.732 169.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.45 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -63.37 -48.66 77.0 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 119.773 1.169 . . . . 0.0 110.869 171.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.76 -51.91 35.63 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.723 1.147 . . . . 0.0 112.926 172.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.55 ' CE ' ' HA ' ' A' ' 77' ' ' SER . 1.2 ptpt -69.31 -42.21 75.72 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.534 -0.729 . . . . 0.0 112.613 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.32 -42.46 91.46 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.101 0.96 . . . . 0.0 109.864 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.478 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 17.4 mt -55.63 -58.52 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.067 0.947 . . . . 0.0 109.901 174.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -63.0 -24.56 67.98 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -81.47 -38.49 26.28 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.18 1.392 . . . . 0.0 113.32 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.696 HG13 HG21 ' A' ' 97' ' ' VAL . 9.4 p -151.6 -6.41 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 116.334 1.976 . . . . 0.0 116.334 -167.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.478 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 9.4 t60 -66.23 122.52 17.66 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 119.077 -2.264 . . . . 0.0 112.227 169.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.54 -4.68 73.25 Favored Glycine 0 N--CA 1.472 1.099 0 C-N-CA 123.846 0.736 . . . . 0.0 111.979 169.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -78.69 140.97 38.28 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 127.074 2.15 . . . . 0.0 108.152 171.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 65.1 p -89.73 104.59 17.14 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.576 1.15 . . . . 0.0 112.542 -170.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.576 ' HB2' HD21 ' A' ' 95' ' ' LEU . 2.6 t80 -102.26 145.17 29.82 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.63 -0.669 . . . . 0.0 111.006 172.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 53.04 -58.51 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 128.724 2.81 . . . . 0.0 117.995 176.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -144.02 -13.05 0.64 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.624 1.569 . . . . 0.0 114.316 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -165.08 168.69 8.27 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 124.42 1.088 . . . . 0.0 112.069 -168.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -76.37 148.66 30.39 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 N-CA-C 116.417 1.661 . . . . 0.0 116.417 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.576 HD21 ' HB2' ' A' ' 90' ' ' PHE . 1.9 mm? -66.9 153.68 42.89 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 127.011 2.124 . . . . 0.0 112.311 169.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -129.88 50.06 2.21 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 125.268 2.461 . . . . 0.0 109.434 -176.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.696 HG21 HG13 ' A' ' 85' ' ' VAL . 55.6 t -68.1 104.41 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 128.181 2.592 . . . . 0.0 107.366 -178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 99' ' ' TYR . 1.5 p -159.37 -135.47 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 121.281 1.855 . . . . 0.0 114.01 -162.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.494 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 10.7 m-30 -107.92 68.51 0.71 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 103.635 -2.728 . . . . 0.0 103.635 164.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.624 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 13.6 t -34.73 130.52 0.39 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -167.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -64.0 20.13 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 129.294 3.038 . . . . 0.0 116.081 -173.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.6 tp -149.6 120.65 4.07 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 127.717 2.407 . . . . 0.0 107.66 174.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -85.51 17.4 1.77 Allowed 'Trans proline' 0 CA--C 1.556 1.583 0 C-N-CA 124.472 3.448 . . . . 0.0 113.802 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.167 0 C-N-CA 126.323 1.849 . . . . 0.0 111.644 -175.329 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 120.806 0.336 . . . . 0.0 111.843 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.43 176.48 10.55 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.605 1.962 . . . . 0.0 109.509 -177.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.3 m -73.68 -4.72 36.09 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.916 -1.115 . . . . 0.0 113.718 169.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.405 ' HA ' ' CG ' ' A' ' 99' ' ' TYR . 2.3 m-20 45.66 -2.37 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.21 1 C-N-CA 132.712 4.405 . . . . 0.0 120.469 174.549 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.7 p -144.66 27.26 1.36 Allowed 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.362 1.892 . . . . 0.0 114.867 -166.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.571 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 35.0 mtt180 -133.29 132.15 41.02 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 -165.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.599 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -108.61 106.21 16.17 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 113.892 -1.504 . . . . 0.0 109.935 -169.854 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.51 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 1.1 t80 -99.15 96.57 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 125.524 2.583 . . . . 0.0 106.637 -169.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.447 HG21 ' HZ ' ' A' ' 52' ' ' PHE 0.306 24.3 t -122.3 96.43 4.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 111.332 -2.667 . . . . 0.0 108.041 -159.299 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.7 ptt-85 -132.72 14.53 0.05 OUTLIER Pre-proline 0 CA--C 1.555 1.166 0 N-CA-C 119.766 3.247 . . . . 0.0 119.766 -166.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HD2' ' CE1' ' A' ' 39' ' ' PHE . 61.2 Cg_endo -69.4 -36.34 11.94 Favored 'Trans proline' 0 C--N 1.355 0.889 0 CA-C-N 123.574 2.312 . . . . 0.0 113.966 177.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.411 ' CE1' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -71.22 152.38 94.47 Favored Pre-proline 0 C--N 1.327 -0.384 0 C-N-CA 126.58 1.952 . . . . 0.0 112.156 -173.623 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.9 -157.08 0.06 OUTLIER 'Trans proline' 0 CA--C 1.547 1.127 0 C-N-CA 121.925 1.75 . . . . 0.0 110.014 164.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.522 ' H ' HD22 ' A' ' 41' ' ' LEU . 2.6 mm? -53.31 -12.7 0.44 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.59 1.556 . . . . 0.0 114.965 176.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.54 -31.4 70.5 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.315 1.846 . . . . 0.0 115.357 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.3 p -76.17 136.62 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 119.775 1.171 . . . . 0.0 111.973 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.0 172.61 12.44 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.258 1.423 . . . . 0.0 109.405 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -53.66 -29.67 39.59 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.92 0.888 . . . . 0.0 113.179 174.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -67.47 -33.86 75.99 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 172.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -82.67 -38.52 23.33 Favored 'General case' 0 C--N 1.334 -0.106 0 O-C-N 120.235 -1.54 . . . . 0.0 108.288 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.1 mt -64.62 -35.62 81.59 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.022 0.929 . . . . 0.0 109.806 168.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -59.79 -45.43 92.33 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 120.19 -1.569 . . . . 0.0 112.169 169.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -62.01 -35.34 78.25 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.3 mt -92.68 -31.28 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.326 1.05 . . . . 0.0 112.627 -172.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.447 ' HZ ' HG21 ' A' ' 36' ' ' VAL . 19.7 m-85 -108.41 -18.22 13.8 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.448 1.499 . . . . 0.0 113.375 -172.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.85 -33.51 28.2 Favored Glycine 0 CA--C 1.545 1.928 0 CA-C-O 117.325 -1.819 . . . . 0.0 114.452 167.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.76 -28.36 81.87 Favored 'Trans proline' 0 C--N 1.356 0.968 0 CA-C-N 121.781 2.79 . . . . 0.0 114.208 171.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -82.12 -51.83 7.6 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.355 1.062 . . . . 0.0 109.848 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.85 -75.11 0.4 Allowed Glycine 0 CA--C 1.536 1.368 0 N-CA-C 117.325 1.69 . . . . 0.0 117.325 167.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -78.19 32.29 0.45 Allowed 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 124.436 3.424 . . . . 0.0 116.024 -166.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -46.88 99.93 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.439 1.496 . . . . 0.0 111.412 168.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.424 ' HE2' ' C ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -109.79 -24.72 10.73 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 126.39 1.876 . . . . 0.0 112.469 -167.667 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -139.33 154.55 47.91 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.31 0.576 . . . . 0.0 109.848 163.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t -151.47 66.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 125.528 1.531 . . . . 0.0 107.497 -168.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.1 mtpp -65.82 120.73 13.56 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.601 ' C ' HD12 ' A' ' 64' ' ' LEU . 9.8 mm -114.1 124.67 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.214 1.006 . . . . 0.0 110.275 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.601 HD12 ' C ' ' A' ' 63' ' ' ILE . 3.6 mp -133.42 -179.66 5.65 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.412 2.285 . . . . 0.0 110.267 -178.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -54.35 44.49 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.348 1 C-N-CA 131.859 4.064 . . . . 0.0 118.233 -171.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.04 14.93 10.39 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 126.175 1.845 . . . . 0.0 112.551 -169.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -135.46 144.86 46.65 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.347 1.073 . . . . 0.0 111.376 -177.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.69 137.54 53.28 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 127.561 2.344 . . . . 0.0 107.801 172.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.585 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -130.67 82.75 2.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 175.384 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.538 ' HB ' HD23 ' A' ' 34' ' ' LEU . 1.7 t -73.31 159.51 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 113.782 -1.554 . . . . 0.0 107.974 177.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -153.19 147.64 25.98 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 121.14 -0.975 . . . . 0.0 110.135 -170.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.599 ' CE2' HD21 ' A' ' 34' ' ' LEU . 14.8 m-85 -130.64 162.3 29.68 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.283 1.033 . . . . 0.0 113.603 177.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.97 -8.83 59.85 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -175.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.55 179.58 7.7 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.251 1.82 . . . . 0.0 110.913 172.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.25 -2.18 34.48 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -174.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -76.09 -40.09 53.84 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 120.556 -1.34 . . . . 0.0 111.27 176.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 p -58.51 -44.03 89.35 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 126.221 1.809 . . . . 0.0 111.666 169.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.06 -46.38 89.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 117.997 -1.001 . . . . 0.0 111.363 171.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.26 -49.34 67.09 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.835 1.198 . . . . 0.0 112.459 176.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -67.95 -41.29 82.73 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 174.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.45 -44.41 89.22 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 119.24 0.927 . . . . 0.0 109.54 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.422 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 17.1 mt -53.23 -59.28 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.722 1.209 . . . . 0.0 109.948 172.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -61.05 -27.6 68.46 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -177.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.9 -38.27 28.28 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.223 1.409 . . . . 0.0 113.76 -178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.75 HG13 HG21 ' A' ' 97' ' ' VAL . 7.9 p -147.35 -4.81 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 -167.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 10.6 t60 -66.32 124.54 22.99 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 119.281 -2.137 . . . . 0.0 112.418 169.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.92 -2.25 87.77 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 125.12 1.343 . . . . 0.0 112.321 170.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.403 ' HE2' ' HA ' ' A' ' 85' ' ' VAL . 1.3 mppt? -77.01 143.27 39.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 126.419 1.888 . . . . 0.0 107.558 168.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.3 p -92.49 93.91 8.81 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 124.759 1.224 . . . . 0.0 112.141 -169.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.522 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.3 t80 -87.37 141.75 28.4 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 122.077 -0.39 . . . . 0.0 111.32 174.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.22 -62.55 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 128.31 2.644 . . . . 0.0 115.707 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -152.77 -5.18 0.21 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.131 1.772 . . . . 0.0 113.992 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -159.6 168.71 11.65 Favored Pre-proline 0 CA--C 1.552 1.051 0 CA-C-N 119.906 1.23 . . . . 0.0 112.148 -174.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -82.09 160.27 18.05 Favored 'Trans proline' 0 C--N 1.352 0.746 0 N-CA-C 116.784 1.801 . . . . 0.0 116.784 -171.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.608 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.1 mm? -82.82 153.47 25.17 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.024 2.129 . . . . 0.0 113.03 170.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -120.29 51.42 1.21 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 124.583 2.135 . . . . 0.0 109.816 170.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.75 HG21 HG13 ' A' ' 85' ' ' VAL . 62.0 t -62.7 104.01 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.923 2.089 . . . . 0.0 107.084 175.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.658 HG13 ' H ' ' A' ' 99' ' ' TYR 0.263 0.8 OUTLIER -158.26 -129.9 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 121.007 1.731 . . . . 0.0 112.975 -164.214 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.658 ' H ' HG13 ' A' ' 98' ' ' VAL . 15.8 m-30 -105.84 11.34 32.0 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.067 2.147 . . . . 0.0 111.445 168.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.571 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.34 21.3 t 35.35 -13.21 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.118 2 C-N-CA 133.202 4.601 . . . . 0.0 122.184 -169.62 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . 0.338 0.0 OUTLIER 52.58 -11.49 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 129.256 3.023 . . . . 0.0 118.356 -169.644 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.3 tp -67.03 123.55 86.53 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 124.938 1.295 . . . . 0.0 109.413 168.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -87.34 -7.43 6.82 Favored 'Trans proline' 0 CA--C 1.548 1.19 0 C-N-CA 123.472 2.781 . . . . 0.0 114.911 -171.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.09 0 C-N-CA 125.97 1.708 . . . . 0.0 111.804 -172.225 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.484 1.272 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.35 172.64 16.15 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.287 1.435 . . . . 0.0 109.651 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.3 m -52.02 -18.49 1.42 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 116.91 2.189 . . . . 0.0 116.91 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.54 ' HA ' ' CD1' ' A' ' 99' ' ' TYR 0.316 2.3 p30 52.37 -4.33 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 128.256 2.622 . . . . 0.0 117.839 -173.826 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.3 p -141.38 24.1 2.12 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 118.039 2.607 . . . . 0.0 118.039 -168.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -134.86 133.51 39.78 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 117.1 2.259 . . . . 0.0 117.1 -169.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.811 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -108.19 106.1 16.13 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.53 -170.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.465 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 3.5 t80 -93.77 99.99 12.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 125.07 2.367 . . . . 0.0 106.788 -173.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.303 24.8 t -128.03 83.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 111.807 -2.452 . . . . 0.0 107.563 -160.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.93 -6.08 0.08 OUTLIER Pre-proline 0 CA--C 1.553 1.077 0 N-CA-C 118.742 2.867 . . . . 0.0 118.742 -172.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HG2' HD13 ' A' ' 95' ' ' LEU . 1.1 Cg_exo -50.43 -26.03 15.35 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.855 3.037 . . . . 0.0 118.709 176.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.44 162.88 52.2 Favored Pre-proline 0 C--O 1.237 0.409 0 C-N-CA 125.1 1.36 . . . . 0.0 114.472 -169.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -84.27 -177.3 2.93 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 121.947 1.765 . . . . 0.0 110.173 163.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mp -57.93 -12.5 3.28 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.325 1.45 . . . . 0.0 114.331 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.36 -24.81 67.56 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.24 1.816 . . . . 0.0 114.024 171.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.7 151.52 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 119.98 1.263 . . . . 0.0 109.998 169.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.69 179.27 1.73 Allowed 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 125.441 1.496 . . . . 0.0 108.913 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -51.27 -29.51 14.92 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 124.098 0.959 . . . . 0.0 112.96 -174.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.6 p -68.77 -34.25 75.25 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.258 1.39 . . . . 0.0 114.737 173.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -77.02 -43.13 35.81 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 122.686 1.231 . . . . 0.0 108.486 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.472 HD13 HD11 ' A' ' 63' ' ' ILE . 4.9 mt -63.5 -34.87 78.73 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.805 173.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -63.09 -46.34 87.85 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 119.822 -1.799 . . . . 0.0 112.319 171.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -57.16 -37.24 71.78 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.4 mt -90.29 -39.46 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 123.791 0.836 . . . . 0.0 112.627 -174.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.433 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 24.5 m-85 -105.49 -21.67 13.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.78 1.632 . . . . 0.0 114.034 -169.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.01 -34.76 24.22 Favored Glycine 0 CA--C 1.541 1.716 0 CA-C-O 117.704 -1.609 . . . . 0.0 114.648 169.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.06 -26.61 82.91 Favored 'Trans proline' 0 C--N 1.359 1.097 0 CA-C-N 121.204 2.502 . . . . 0.0 114.592 170.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.0 OUTLIER -82.01 -50.36 9.2 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.039 0.836 . . . . 0.0 109.565 -179.373 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.12 -72.2 0.49 Allowed Glycine 0 CA--C 1.537 1.434 0 N-CA-C 119.003 2.361 . . . . 0.0 119.003 166.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -68.63 -35.73 16.21 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.759 2.306 . . . . 0.0 117.038 -165.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.2 mtp 31.65 51.36 0.17 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 126.73 2.012 . . . . 0.0 114.594 -176.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.64 -29.32 37.73 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 126.267 1.827 . . . . 0.0 112.845 -169.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -155.72 157.07 35.99 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 124.024 0.93 . . . . 0.0 111.607 169.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.505 HG13 HG22 ' A' ' 70' ' ' VAL . 2.9 t -151.52 68.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 -168.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -68.01 115.85 7.98 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 -176.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.536 ' C ' HD12 ' A' ' 64' ' ' LEU . 44.5 mt -123.26 125.29 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.281 1.033 . . . . 0.0 110.804 -170.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.536 HD12 ' C ' ' A' ' 63' ' ' ILE . 4.0 mp -135.45 94.62 3.13 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 127.407 2.283 . . . . 0.0 109.339 -168.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 48.16 -101.66 0.08 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 125.256 1.422 . . . . 0.0 112.451 -174.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.68 -4.16 87.67 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 126.023 1.773 . . . . 0.0 115.584 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -117.89 151.92 36.43 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 118.986 1.393 . . . . 0.0 112.402 -168.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.28 139.22 45.56 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 126.585 1.954 . . . . 0.0 109.12 174.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.433 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -130.8 79.9 1.92 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 175.578 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.505 HG22 HG13 ' A' ' 61' ' ' VAL . 2.0 t -71.45 156.22 7.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 113.445 -1.707 . . . . 0.0 107.41 178.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -151.13 148.11 27.88 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -169.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.811 ' CE2' HD21 ' A' ' 34' ' ' LEU . 28.0 m-85 -126.62 157.89 37.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.882 170.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -84.77 -4.81 59.23 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.78 -0.575 . . . . 0.0 112.341 173.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.39 163.97 31.5 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.197 1.399 . . . . 0.0 112.611 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.5 -8.23 53.3 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -171.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -79.76 -40.06 29.61 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.364 1.438 . . . . 0.0 111.814 -178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.1 t -61.86 -36.53 81.51 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.425 0.557 . . . . 0.0 110.95 168.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.7 -49.58 67.98 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.598 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.79 -50.61 63.25 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.641 1.176 . . . . 0.0 112.155 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -68.18 -41.33 81.62 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 117.668 -1.158 . . . . 0.0 112.55 175.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.08 78.09 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.587 1.085 . . . . 0.0 109.833 177.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.431 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 13.9 mt -53.0 -60.2 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.618 1.167 . . . . 0.0 110.247 173.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -63.34 -25.07 68.13 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -79.33 -39.33 33.01 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.058 1.743 . . . . 0.0 112.824 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.682 HG13 HG21 ' A' ' 97' ' ' VAL . 10.7 p -150.65 -2.28 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 116.613 2.079 . . . . 0.0 116.613 -167.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.431 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 15.2 t60 -66.09 121.73 15.81 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 119.169 -2.207 . . . . 0.0 112.434 168.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.95 -3.98 83.03 Favored Glycine 0 N--CA 1.47 0.906 0 C-N-CA 124.061 0.839 . . . . 0.0 112.461 169.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -75.73 143.37 42.1 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 126.869 2.068 . . . . 0.0 106.982 168.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.411 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 42.5 t -91.38 120.89 32.63 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.239 0.543 . . . . 0.0 112.178 -177.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.595 ' HB2' HD21 ' A' ' 95' ' ' LEU . 4.4 t80 -112.73 142.47 45.31 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.237 170.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 58.21 -53.43 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 129.389 3.075 . . . . 0.0 115.247 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -157.29 -9.96 0.09 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.621 1.968 . . . . 0.0 114.346 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -159.46 161.73 26.71 Favored Pre-proline 0 CA--C 1.55 0.954 0 CA-C-N 120.148 1.34 . . . . 0.0 111.555 -169.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 89' ' ' SER . 58.7 Cg_endo -78.75 146.05 20.71 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 N-CA-C 117.002 1.885 . . . . 0.0 117.002 -172.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.617 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.6 mm? -66.26 152.35 45.1 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.939 2.096 . . . . 0.0 112.556 172.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -122.57 50.56 1.48 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 124.904 2.288 . . . . 0.0 109.565 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.682 HG21 HG13 ' A' ' 85' ' ' VAL . 59.2 t -67.49 99.47 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 127.974 2.51 . . . . 0.0 107.053 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.855 HG13 ' H ' ' A' ' 99' ' ' TYR 0.286 1.2 p -156.52 -115.76 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 120.692 1.587 . . . . 0.0 113.488 -163.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.855 ' H ' HG13 ' A' ' 98' ' ' VAL . 5.7 m-85 -117.0 13.96 14.94 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 128.556 2.742 . . . . 0.0 110.189 171.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.465 ' CB ' ' HB2' ' A' ' 35' ' ' PHE 0.312 18.1 t 39.74 84.59 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 130.105 3.362 . . . . 0.0 116.686 -170.379 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -54.26 95.7 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.981 2.113 . . . . 0.0 111.656 168.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -49.4 -45.46 77.1 Favored Pre-proline 0 CA--C 1.554 1.113 0 C-N-CA 125.181 1.392 . . . . 0.0 114.526 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -70.93 90.87 0.63 Allowed 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 122.783 2.322 . . . . 0.0 113.176 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 C-N-CA 129.376 3.07 . . . . 0.0 115.416 171.154 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 119.034 -0.507 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.9 -63.6 0.38 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 127.19 2.196 . . . . 0.0 113.849 169.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -165.9 -16.24 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 128.908 2.883 . . . . 0.0 112.013 175.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.467 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.6 OUTLIER 65.21 -12.77 0.13 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 128.498 2.719 . . . . 0.0 117.178 179.759 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 p -141.65 25.4 2.0 Allowed 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 117.779 2.511 . . . . 0.0 117.779 -164.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 77.6 mtt180 -126.71 126.16 43.03 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -168.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.688 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -106.61 103.18 12.57 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.56 -1.2 . . . . 0.0 109.356 -170.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.421 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 6.9 t80 -93.35 101.02 13.25 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 124.633 2.159 . . . . 0.0 107.465 -172.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.475 HG12 ' HE1' ' A' ' 39' ' ' PHE 0.254 49.2 t -130.51 91.69 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 112.01 -2.359 . . . . 0.0 109.156 -158.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -126.26 16.13 0.07 OUTLIER Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -169.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -69.85 -30.52 21.74 Favored 'Trans proline' 0 C--N 1.354 0.823 0 CA-C-N 122.574 1.955 . . . . 0.0 114.032 -176.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.475 ' HE1' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -83.57 162.38 53.46 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 125.677 1.591 . . . . 0.0 113.654 -168.327 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -77.78 -169.79 0.82 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 122.652 2.235 . . . . 0.0 111.01 165.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.748 ' H ' HD22 ' A' ' 41' ' ' LEU . 1.1 mm? -50.31 -23.35 2.25 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.288 1.835 . . . . 0.0 114.037 177.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.54 -16.09 63.76 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.873 1.669 . . . . 0.0 115.097 -175.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.7 p -68.96 139.47 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-N 120.889 1.677 . . . . 0.0 109.163 168.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -149.97 172.01 15.9 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.726 1.21 . . . . 0.0 108.722 -177.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.42 -31.76 55.94 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 118.705 -0.664 . . . . 0.0 112.065 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -60.32 -36.75 78.64 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 172.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -80.65 -41.27 24.1 Favored 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 125.443 1.497 . . . . 0.0 108.737 -176.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' CD1' HD11 ' A' ' 63' ' ' ILE . 7.6 mt -63.57 -35.85 81.85 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.174 170.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.78 -42.31 97.77 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 119.925 -1.735 . . . . 0.0 111.816 172.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -62.31 -39.74 94.0 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 174.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.1 mt -84.88 -36.4 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 123.658 0.783 . . . . 0.0 111.98 -173.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.427 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 19.9 m-85 -106.4 -21.71 13.01 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.52 1.528 . . . . 0.0 113.398 -170.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.73 -33.61 35.04 Favored Glycine 0 CA--C 1.544 1.857 0 CA-C-O 117.588 -1.673 . . . . 0.0 114.927 168.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.24 -26.62 83.04 Favored 'Trans proline' 0 C--N 1.358 1.038 0 CA-C-N 121.482 2.641 . . . . 0.0 114.203 170.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.8 m-30 -78.92 -44.73 22.03 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.609 0.763 . . . . 0.0 109.987 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.65 -80.21 0.34 Allowed Glycine 0 CA--C 1.528 0.882 0 CA-C-N 114.723 -1.126 . . . . 0.0 113.122 167.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -58.61 137.17 78.68 Favored 'Trans proline' 0 CA--C 1.548 1.209 0 C-N-CA 122.821 2.347 . . . . 0.0 111.849 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.4 mtp -153.24 53.82 0.75 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 127.955 2.502 . . . . 0.0 109.803 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -29.49 11.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 113.336 -1.757 . . . . 0.0 114.248 -174.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.49 158.32 37.02 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-O 122.18 0.99 . . . . 0.0 111.693 176.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.419 HG13 HG22 ' A' ' 70' ' ' VAL . 2.2 t -153.77 70.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 112.933 -1.94 . . . . 0.0 107.325 -167.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.86 117.73 11.81 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.49 HD11 ' CD1' ' A' ' 48' ' ' LEU . 77.9 mt -124.74 120.5 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.843 0.857 . . . . 0.0 109.756 -173.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.497 HD13 ' CE1' ' A' ' 69' ' ' PHE . 4.8 mp -127.99 96.74 4.57 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 126.933 2.093 . . . . 0.0 109.353 -167.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 52.21 -90.79 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.217 1.407 . . . . 0.0 112.362 -173.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.95 4.03 35.91 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 126.652 2.072 . . . . 0.0 115.918 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -115.96 150.99 36.28 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.135 1.468 . . . . 0.0 111.211 -172.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.21 139.51 49.72 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 126.043 1.737 . . . . 0.0 109.958 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.497 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -134.81 79.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 176.817 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.579 ' HB ' HD23 ' A' ' 34' ' ' LEU . 1.5 t -69.61 156.27 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 113.258 -1.792 . . . . 0.0 107.415 176.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -154.8 141.99 19.42 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.896 -1.149 . . . . 0.0 107.896 -168.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.688 ' CE2' HD21 ' A' ' 34' ' ' LEU . 15.3 m-85 -127.66 154.73 44.93 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 122.625 1.202 . . . . 0.0 114.033 -173.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -78.67 -11.14 59.96 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.444 1.898 . . . . 0.0 114.187 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.99 173.81 13.42 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.857 2.063 . . . . 0.0 111.172 175.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.66 8.65 44.28 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -171.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -93.37 -42.01 9.52 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.67 1.188 . . . . 0.0 112.702 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.5 t -60.86 -36.13 78.38 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 167.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.12 -51.38 54.76 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.805 174.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.06 -48.21 67.84 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.446 1.021 . . . . 0.0 112.233 176.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -37.99 69.91 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 117.487 -1.244 . . . . 0.0 113.174 175.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.85 -45.47 78.44 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 119.866 1.212 . . . . 0.0 109.677 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.444 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 17.0 mt -53.87 -59.4 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.442 1.097 . . . . 0.0 110.54 172.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -63.55 -22.04 66.68 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -85.52 -37.15 19.98 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.415 1.886 . . . . 0.0 112.887 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.652 HG13 HG21 ' A' ' 97' ' ' VAL . 10.0 p -151.84 -4.8 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 N-CA-C 116.38 1.992 . . . . 0.0 116.38 -167.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 15.9 t60 -65.03 119.41 10.71 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 118.844 -2.41 . . . . 0.0 112.604 168.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.88 0.02 78.77 Favored Glycine 0 N--CA 1.473 1.161 0 C-N-CA 123.673 0.654 . . . . 0.0 112.092 169.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -82.0 137.68 35.05 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 127.152 2.181 . . . . 0.0 107.98 171.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.9 p -82.66 92.91 7.25 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 124.356 1.063 . . . . 0.0 112.096 -172.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.54 ' HB2' HD21 ' A' ' 95' ' ' LEU . 8.0 t80 -86.75 138.37 31.67 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.544 -0.722 . . . . 0.0 111.256 173.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 56.17 -55.62 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 129.241 3.016 . . . . 0.0 116.323 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -153.57 -12.3 0.15 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.989 2.115 . . . . 0.0 113.747 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -157.5 160.97 30.01 Favored Pre-proline 0 N--CA 1.478 0.943 0 CA-C-N 119.82 1.191 . . . . 0.0 112.008 -171.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -77.69 152.96 29.65 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 N-CA-C 115.359 1.254 . . . . 0.0 115.359 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.614 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.3 mm? -75.92 158.57 31.87 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.577 1.951 . . . . 0.0 113.345 173.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -123.11 50.79 1.51 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 124.447 2.07 . . . . 0.0 109.947 169.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.652 HG21 HG13 ' A' ' 85' ' ' VAL . 55.5 t -63.58 99.52 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 126.532 1.933 . . . . 0.0 106.58 175.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.717 HG13 ' H ' ' A' ' 99' ' ' TYR 0.258 0.8 OUTLIER -157.43 -127.32 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 121.008 1.731 . . . . 0.0 112.659 -164.533 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.717 ' H ' HG13 ' A' ' 98' ' ' VAL . 10.7 m-30 -104.69 13.82 30.81 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.711 2.404 . . . . 0.0 110.067 166.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.433 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.311 28.6 t 40.94 80.43 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 129.721 3.208 . . . . 0.0 114.347 -168.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -46.68 -47.73 20.27 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.345 1.458 . . . . 0.0 114.381 -168.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 164.88 157.56 0.08 OUTLIER Pre-proline 0 CA--C 1.554 1.129 1 C-N-CA 132.266 4.226 . . . . 0.0 108.99 -176.582 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -58.81 -1.66 0.85 Allowed 'Trans proline' 0 CA--C 1.548 1.202 0 C-N-CA 125.27 3.98 . . . . 0.0 119.442 -173.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.227 0 C-N-CA 125.413 1.485 . . . . 0.0 113.155 -178.548 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 110.806 -0.072 . . . . 0.0 110.806 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.411 ' CD1' ' H ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -146.92 170.56 16.82 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.73 1.612 . . . . 0.0 110.232 -179.43 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.411 ' H ' ' CD1' ' A' ' 29' ' ' LEU . 6.7 m -58.69 -10.78 2.52 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.301 1.84 . . . . 0.0 115.302 173.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.28 7.0 p30 48.22 0.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 130.824 3.65 . . . . 0.0 120.315 169.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.43 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 20.5 p -145.38 18.3 1.53 Allowed 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.234 1.379 . . . . 0.0 114.201 -170.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.574 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 46.3 mtt180 -125.99 134.17 51.56 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 -163.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.655 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -111.4 104.06 12.48 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 113.273 -1.785 . . . . 0.0 110.848 -167.44 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -97.47 99.62 11.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 124.343 2.021 . . . . 0.0 108.687 -169.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 m -136.3 129.69 46.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.076 -1.42 . . . . 0.0 108.822 -168.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.551 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -145.63 8.25 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.941 0 N-CA-C 119.938 3.31 . . . . 0.0 119.938 -167.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.551 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 72.3 Cg_exo -47.76 -49.29 13.88 Favored 'Trans proline' 0 C--N 1.355 0.917 0 CA-C-N 123.99 2.461 . . . . 0.0 115.636 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.13 141.71 98.37 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 128.959 2.904 . . . . 0.0 115.348 -168.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -60.38 -162.47 0.03 OUTLIER 'Trans proline' 0 CA--C 1.554 1.486 0 C-N-CA 124.745 3.63 . . . . 0.0 113.273 164.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.456 ' H ' HD22 ' A' ' 41' ' ' LEU . 1.9 mm? -66.61 31.82 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.836 2.054 . . . . 0.0 113.635 172.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -126.37 -19.33 4.68 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 116.48 2.03 . . . . 0.0 116.48 -169.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.2 p -63.21 151.88 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-N 119.666 1.121 . . . . 0.0 109.649 168.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -142.78 165.69 26.7 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 123.71 0.804 . . . . 0.0 110.372 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.21 -24.29 6.99 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 169.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.7 m -72.7 -34.88 67.44 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.718 1.607 . . . . 0.0 113.477 172.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -73.93 -42.78 60.09 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 120.861 -1.149 . . . . 0.0 108.067 177.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.587 ' CD1' HD11 ' A' ' 63' ' ' ILE . 6.1 mt -67.54 -31.15 71.05 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.605 173.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.47 -41.4 97.18 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 119.013 -2.305 . . . . 0.0 112.069 169.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -65.43 -34.84 79.23 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 172.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.4 mt -86.06 -39.89 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.709 0.804 . . . . 0.0 112.676 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.456 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 48.4 m-85 -108.36 -22.15 12.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.403 1.881 . . . . 0.0 113.39 -169.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.58 -33.36 47.87 Favored Glycine 0 CA--C 1.542 1.742 0 CA-C-O 117.583 -1.676 . . . . 0.0 115.057 168.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -58.86 -28.07 86.11 Favored 'Trans proline' 0 C--N 1.359 1.118 0 CA-C-N 121.305 2.553 . . . . 0.0 114.336 170.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.456 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.0 m-30 -80.85 -43.72 19.53 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.798 0.839 . . . . 0.0 110.749 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.69 -69.83 0.41 Allowed Glycine 0 CA--C 1.533 1.202 0 N-CA-C 116.475 1.35 . . . . 0.0 116.475 168.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -85.55 36.05 0.52 Allowed 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.431 2.754 . . . . 0.0 115.545 -166.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.7 ptp -48.07 103.83 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 CA-C-N 120.092 1.315 . . . . 0.0 110.253 167.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.95 -27.92 8.99 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 127.659 2.384 . . . . 0.0 112.271 -166.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -141.85 153.59 44.57 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 123.652 0.781 . . . . 0.0 110.115 168.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 t -151.56 65.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 -168.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -70.47 118.03 12.76 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.587 HD11 ' CD1' ' A' ' 48' ' ' LEU . 76.0 mt -126.54 125.81 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-O 122.04 0.924 . . . . 0.0 110.437 -174.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.544 HD12 ' C ' ' A' ' 63' ' ' ILE . 3.3 mp -130.88 -173.68 3.16 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 128.488 2.715 . . . . 0.0 109.207 -172.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -48.8 41.5 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.371 1 C-N-CA 133.301 4.64 . . . . 0.0 118.518 -173.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.87 22.11 9.68 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 126.281 1.896 . . . . 0.0 112.21 -167.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -133.17 148.16 52.06 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.508 1.154 . . . . 0.0 111.194 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.13 131.17 36.53 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 126.055 1.742 . . . . 0.0 108.502 173.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.503 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -121.92 79.8 1.62 Allowed 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 104.45 -2.426 . . . . 0.0 104.45 174.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.533 ' HB ' HD23 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -68.74 163.33 3.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 113.256 -1.793 . . . . 0.0 107.428 172.387 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -156.48 155.2 31.6 Favored 'General case' 0 C--N 1.313 -1.0 0 O-C-N 121.295 -0.878 . . . . 0.0 108.96 -173.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.655 ' CE2' HD21 ' A' ' 34' ' ' LEU . 14.1 m-85 -128.66 165.34 21.03 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 124.539 1.135 . . . . 0.0 111.134 173.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -97.64 17.26 18.22 Favored 'General case' 0 CA--C 1.557 1.212 0 CA-C-O 121.935 0.874 . . . . 0.0 109.916 167.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -139.05 103.01 4.67 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 128.298 2.639 . . . . 0.0 109.927 -169.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.49 -30.57 63.11 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.025 0.93 . . . . 0.0 112.799 173.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -69.0 -23.08 64.05 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.094 -1.004 . . . . 0.0 112.944 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.535 ' HB3' ' CD2' ' A' ' 72' ' ' PHE . 7.2 t -76.22 -34.1 59.25 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 119.174 0.897 . . . . 0.0 111.921 169.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -61.45 -48.48 80.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.148 169.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.85 -51.37 30.04 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.758 1.163 . . . . 0.0 112.745 171.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -68.96 -42.92 76.0 Favored 'General case' 0 C--N 1.346 0.417 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.7 88.82 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.269 1.028 . . . . 0.0 109.555 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.407 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 18.3 mt -56.98 -58.77 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 124.316 1.046 . . . . 0.0 109.943 174.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -63.4 -27.18 69.13 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -177.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.99 -44.61 47.18 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.855 1.262 . . . . 0.0 112.482 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.494 HG13 HG21 ' A' ' 97' ' ' VAL . 9.4 p -152.83 10.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 -165.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 9.1 t60 -74.28 121.45 21.31 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 119.377 -2.077 . . . . 0.0 111.242 168.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.61 -3.45 86.25 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 125.023 1.297 . . . . 0.0 111.999 176.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.29 136.23 35.76 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 127.699 2.4 . . . . 0.0 108.302 171.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.7 p -77.95 116.52 18.51 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 125.408 1.483 . . . . 0.0 111.963 -173.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -114.25 142.93 45.65 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.973 -0.455 . . . . 0.0 111.464 169.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.25 -59.15 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 128.268 2.627 . . . . 0.0 116.921 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -155.08 -1.15 0.16 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.232 2.213 . . . . 0.0 113.504 -172.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.92 165.2 1.86 Allowed Pre-proline 0 N--CA 1.487 1.417 0 CA-C-N 120.001 1.273 . . . . 0.0 112.786 -178.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -76.68 165.95 27.97 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 122.081 1.854 . . . . 0.0 116.454 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.407 ' CD1' ' HG2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -104.85 145.76 29.94 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.228 3.011 . . . . 0.0 112.935 -171.115 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.15 52.6 0.86 Allowed 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 124.998 2.333 . . . . 0.0 110.686 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.494 HG21 HG13 ' A' ' 85' ' ' VAL . 59.0 t -60.06 107.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 113.482 -1.69 . . . . 0.0 107.981 172.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.498 HG13 ' N ' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -158.81 -140.44 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 117.609 -1.636 . . . . 0.0 115.401 -165.259 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.498 ' N ' HG13 ' A' ' 98' ' ' VAL . 7.0 m-85 -106.53 67.57 0.73 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 104.303 -2.481 . . . . 0.0 104.303 165.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.574 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 17.2 t -35.08 140.28 0.08 Allowed 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 117.325 2.342 . . . . 0.0 117.325 -168.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -67.82 43.63 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 128.028 2.531 . . . . 0.0 113.835 171.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.1 tp -145.62 123.36 6.29 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.827 1.651 . . . . 0.0 109.77 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -90.46 -5.33 4.7 Favored 'Trans proline' 0 CA--C 1.549 1.238 0 C-N-CA 123.856 3.038 . . . . 0.0 115.039 -174.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.413 0 C-N-CA 126.02 1.728 . . . . 0.0 111.704 -173.411 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 119.348 -0.358 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.91 -65.91 0.2 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 128.495 2.718 . . . . 0.0 113.192 178.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.441 ' H ' ' H ' ' A' ' 31' ' ' ASN . 20.6 m -165.59 -12.85 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 128.505 2.722 . . . . 0.0 111.815 175.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.448 ' HA ' ' CD1' ' A' ' 99' ' ' TYR 0.301 0.2 OUTLIER 53.02 -13.57 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 119.368 3.099 . . . . 0.0 119.368 175.383 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.451 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 58.1 p -144.13 31.91 1.24 Allowed 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 116.774 2.138 . . . . 0.0 116.774 -167.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.56 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 7.0 mtt180 -136.15 129.77 32.25 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 120.958 1.708 . . . . 0.0 114.827 -167.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.842 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -111.5 120.41 42.03 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.886 -1.134 . . . . 0.0 112.585 -169.137 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.419 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 81.8 t80 -108.3 102.28 11.42 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 125.04 2.353 . . . . 0.0 105.483 -169.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.308 12.6 t -128.16 103.32 9.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 111.788 -2.46 . . . . 0.0 106.66 -160.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.513 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 29.8 ptt85 -138.28 1.25 0.03 OUTLIER Pre-proline 0 CA--C 1.555 1.157 0 N-CA-C 120.054 3.353 . . . . 0.0 120.054 -164.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 99.0 Cg_exo -54.46 -38.47 89.78 Favored 'Trans proline' 0 C--N 1.356 0.936 0 CA-C-N 123.899 2.428 . . . . 0.0 116.431 176.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.87 162.09 76.15 Favored Pre-proline 0 CA--C 1.535 0.366 0 C-N-CA 126.925 2.09 . . . . 0.0 113.752 -168.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -79.6 -175.39 2.7 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 122.21 1.94 . . . . 0.0 111.535 166.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.6 mp -50.91 -21.93 1.98 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.531 1.933 . . . . 0.0 113.958 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -63.56 -19.68 65.0 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.404 1.882 . . . . 0.0 114.529 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.08 140.0 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 120.821 1.646 . . . . 0.0 111.422 173.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -150.32 171.99 16.1 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 126.247 1.819 . . . . 0.0 109.587 -170.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.41 -29.3 34.2 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-O 118.306 -0.854 . . . . 0.0 112.205 173.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.3 p -66.89 -35.0 79.02 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 120.604 1.547 . . . . 0.0 114.318 173.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.34 -45.4 39.67 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 124.536 2.112 . . . . 0.0 107.996 -176.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.78 -37.25 86.97 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 112.569 -2.105 . . . . 0.0 109.696 171.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -61.68 -40.35 94.67 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.255 -1.528 . . . . 0.0 111.861 173.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -61.24 -40.73 95.14 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 172.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 91.6 mt -82.44 -41.04 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -176.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.499 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 37.3 m-85 -102.02 -23.82 14.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.158 2.183 . . . . 0.0 114.008 -169.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -48.74 -33.41 12.66 Favored Glycine 0 CA--C 1.543 1.829 0 CA-C-O 117.583 -1.676 . . . . 0.0 115.144 171.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -63.06 -22.73 73.62 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 CA-C-N 121.544 2.672 . . . . 0.0 114.89 172.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -80.25 -53.31 6.77 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.077 0.853 . . . . 0.0 111.93 -172.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.25 -118.0 0.8 Allowed Glycine 0 CA--C 1.536 1.38 0 CA-C-O 119.001 -0.888 . . . . 0.0 115.159 -168.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -77.77 -34.92 1.63 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.067 2.511 . . . . 0.0 117.186 -166.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.8 ptm 33.63 60.67 0.49 Allowed 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 123.717 1.723 . . . . 0.0 112.795 -170.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -30.95 70.1 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 127.989 2.516 . . . . 0.0 114.935 -167.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -141.2 152.23 44.45 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.456 0.646 . . . . 0.0 110.692 168.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.6 t -151.2 76.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 124.413 1.085 . . . . 0.0 108.421 -166.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -83.23 123.01 29.16 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.158 -173.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.64 ' C ' HD12 ' A' ' 64' ' ' LEU . 8.5 mm -116.17 126.46 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.674 1.59 . . . . 0.0 111.627 -169.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.64 HD12 ' C ' ' A' ' 63' ' ' ILE . 2.2 mp -135.63 -177.37 4.64 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 127.384 2.274 . . . . 0.0 110.142 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -53.75 40.59 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.476 1 C-N-CA 132.317 4.247 . . . . 0.0 118.634 -170.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.99 6.24 12.71 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 126.45 1.976 . . . . 0.0 112.026 -168.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -130.14 147.18 51.85 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 118.141 0.971 . . . . 0.0 111.424 -170.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.56 135.29 40.21 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 126.671 1.988 . . . . 0.0 108.438 177.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.62 ' CE1' HD13 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -127.69 83.12 2.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 177.683 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.499 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 1.8 t -76.3 160.6 4.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 113.217 -1.81 . . . . 0.0 107.763 178.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -156.73 149.55 23.75 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 121.506 -0.746 . . . . 0.0 109.619 -168.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.842 ' CE2' HD21 ' A' ' 34' ' ' LEU . 38.9 m-85 -128.66 152.9 47.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.629 1.204 . . . . 0.0 112.263 174.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -75.12 -13.69 60.5 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 114.422 -1.263 . . . . 0.0 112.507 169.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -136.13 146.14 46.62 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.32 1.848 . . . . 0.0 113.511 -169.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.29 -24.46 54.41 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -175.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -70.35 -38.27 74.77 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.43 1.014 . . . . 0.0 111.554 -177.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.445 ' HA ' ' HE3' ' A' ' 80' ' ' LYS . 4.9 t -65.32 -34.55 78.61 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 121.472 -0.768 . . . . 0.0 112.576 170.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.451 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -68.76 -50.5 50.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 118.988 0.813 . . . . 0.0 111.838 175.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.1 -47.83 68.28 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.594 1.157 . . . . 0.0 112.1 173.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 77' ' ' SER . 3.2 ptpt -68.83 -40.65 79.33 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 118.202 -0.904 . . . . 0.0 112.519 177.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.66 -46.16 81.23 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 119.162 0.892 . . . . 0.0 110.133 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 9.6 mt -53.9 -57.62 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 121.268 -0.895 . . . . 0.0 110.35 173.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -65.14 -23.94 67.27 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -82.85 -35.49 26.25 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.954 1.702 . . . . 0.0 112.957 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.669 HG13 HG21 ' A' ' 97' ' ' VAL . 12.1 p -150.96 -8.78 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 -166.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -62.76 114.93 3.9 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 119.203 -2.185 . . . . 0.0 112.106 169.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.05 0.01 62.08 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.236 0.922 . . . . 0.0 112.507 170.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -84.22 137.57 33.42 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 127.164 2.186 . . . . 0.0 108.211 175.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.4 p -83.41 97.14 8.8 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.702 1.201 . . . . 0.0 111.96 -171.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.567 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.9 t80 -91.12 142.94 27.2 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.16 -0.963 . . . . 0.0 112.027 170.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.36 -63.54 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 128.389 2.676 . . . . 0.0 115.774 -175.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -151.79 -1.25 0.32 Allowed 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.152 1.781 . . . . 0.0 114.426 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -159.56 162.67 24.89 Favored Pre-proline 0 N--CA 1.477 0.886 0 CA-C-N 119.843 1.201 . . . . 0.0 111.908 -174.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -81.16 152.8 18.59 Favored 'Trans proline' 0 C--N 1.349 0.569 0 N-CA-C 116.013 1.505 . . . . 0.0 116.013 -174.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.568 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.9 mm? -72.32 158.68 35.36 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.368 1.867 . . . . 0.0 112.475 169.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -135.37 52.88 2.0 Allowed 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 125.606 2.622 . . . . 0.0 108.641 -176.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.669 HG21 HG13 ' A' ' 85' ' ' VAL . 51.7 t -73.42 106.92 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 129.626 3.17 . . . . 0.0 108.008 -175.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.77 HG13 ' H ' ' A' ' 99' ' ' TYR 0.279 2.1 p -157.91 -121.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 121.5 1.955 . . . . 0.0 115.807 -162.2 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.77 ' H ' HG13 ' A' ' 98' ' ' VAL . 10.5 m-30 -116.12 45.3 1.78 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 128.498 2.719 . . . . 0.0 108.649 172.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.56 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 17.4 m -49.42 114.47 1.04 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 117.843 2.535 . . . . 0.0 117.843 -167.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp 35.79 87.03 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 128.019 2.528 . . . . 0.0 115.843 167.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.7 tt -43.04 -57.84 4.68 Favored Pre-proline 0 CA--C 1.553 1.07 0 C-N-CA 126.294 1.838 . . . . 0.0 114.876 177.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.74 121.23 8.12 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.093 1.862 . . . . 0.0 112.353 -173.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 C-N-CA 127.087 2.155 . . . . 0.0 114.125 -173.295 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 119.042 -0.504 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.47 -77.29 0.28 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.149 0.98 . . . . 0.0 109.299 168.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.3 m -178.9 -35.72 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 128.21 2.604 . . . . 0.0 111.004 170.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.481 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.7 OUTLIER 61.65 6.26 1.5 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.393 2.277 . . . . 0.0 114.989 -171.015 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.6 p -148.21 22.6 1.07 Allowed 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 -165.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.61 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 4.8 mpt_? -136.64 124.23 22.29 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 123.273 2.76 . . . . 0.0 116.261 -170.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.696 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -104.15 107.36 18.22 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 120.139 -1.601 . . . . 0.0 112.514 -167.84 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -102.6 97.3 7.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 124.377 2.036 . . . . 0.0 111.239 -169.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -128.14 127.28 67.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 122.855 1.312 . . . . 0.0 108.636 -169.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 ptt-85 -147.08 20.79 0.04 OUTLIER Pre-proline 0 CA--C 1.55 0.98 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 -165.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 56.4 Cg_endo -75.5 -21.64 14.74 Favored 'Trans proline' 0 C--N 1.352 0.754 0 CA-C-N 122.478 1.921 . . . . 0.0 114.304 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.457 ' CD1' HG11 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -88.57 159.02 47.6 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 125.747 1.619 . . . . 0.0 113.611 -168.098 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.38 -178.33 3.59 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 123.147 2.565 . . . . 0.0 110.489 167.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mp -55.44 -17.46 5.15 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.11 1.364 . . . . 0.0 114.101 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.17 -21.49 65.12 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.474 1.909 . . . . 0.0 114.973 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.457 HG11 ' CD1' ' A' ' 39' ' ' PHE . 12.8 p -64.7 145.09 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 120.372 1.442 . . . . 0.0 111.326 173.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -164.46 176.02 9.4 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 124.751 1.22 . . . . 0.0 110.3 -175.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.09 -30.19 64.12 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 117.666 -1.159 . . . . 0.0 113.249 -169.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 p -64.13 -33.29 75.45 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 121.446 1.93 . . . . 0.0 114.422 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -81.52 -42.44 20.2 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 125.888 1.675 . . . . 0.0 108.222 -176.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.66 -36.43 83.8 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.479 -1.237 . . . . 0.0 109.994 169.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -62.53 -41.59 98.97 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 119.978 -1.701 . . . . 0.0 112.134 173.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -59.73 -40.5 88.24 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 172.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.3 mt -83.8 -42.09 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -175.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.411 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 35.8 m-85 -103.54 -25.8 13.07 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.288 1.835 . . . . 0.0 113.735 -169.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -48.92 -34.7 16.24 Favored Glycine 0 CA--C 1.544 1.898 0 CA-C-O 117.589 -1.673 . . . . 0.0 114.846 171.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.01 -26.14 81.58 Favored 'Trans proline' 0 C--N 1.359 1.114 0 CA-C-N 121.42 2.61 . . . . 0.0 114.966 171.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.411 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 3.4 m-30 -74.29 -40.42 62.29 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.155 0.888 . . . . 0.0 111.035 -178.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.34 -76.72 0.37 Allowed Glycine 0 CA--C 1.529 0.958 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.515 169.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -78.77 159.22 28.02 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.416 2.744 . . . . 0.0 111.706 175.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 48.4 mtp -150.87 55.8 0.9 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.39 2.276 . . . . 0.0 108.003 168.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.476 ' HB3' ' HA ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -48.59 -31.65 6.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 113.121 -1.854 . . . . 0.0 112.457 -174.521 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -158.27 159.47 36.02 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.79 0.805 . . . . 0.0 112.413 171.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.459 HG13 HG22 ' A' ' 70' ' ' VAL . 1.7 t -151.59 80.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 -168.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 119.6 17.81 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 175.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.569 ' C ' HD12 ' A' ' 64' ' ' LEU . 58.4 mt -129.22 126.75 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.829 1.195 . . . . 0.0 111.938 -173.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.569 HD12 ' C ' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -135.53 -168.17 2.15 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 127.84 2.456 . . . . 0.0 110.034 -172.435 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -45.82 29.76 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.65 1 C-N-CA 134.828 5.251 . . . . 0.0 120.223 -172.086 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.24 13.5 8.27 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 127.169 2.319 . . . . 0.0 110.89 -166.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -129.88 146.21 51.6 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.226 0.611 . . . . 0.0 111.627 -168.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.93 129.98 26.61 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 125.077 1.351 . . . . 0.0 109.38 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.478 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -125.48 78.64 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 179.043 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.541 ' HB ' HD23 ' A' ' 34' ' ' LEU . 1.7 t -70.79 161.2 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 113.428 -1.714 . . . . 0.0 107.849 178.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -152.01 148.31 27.56 Favored 'General case' 0 C--O 1.244 0.803 0 O-C-N 121.263 -0.898 . . . . 0.0 109.418 -170.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.696 ' CE2' HD21 ' A' ' 34' ' ' LEU . 21.6 m-85 -127.55 166.57 17.75 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.134 1.374 . . . . 0.0 113.013 -177.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -113.04 17.03 19.13 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.795 1.638 . . . . 0.0 110.243 167.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -139.91 99.26 3.65 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 128.094 2.558 . . . . 0.0 108.165 -171.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.22 -27.5 67.23 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.585 -0.697 . . . . 0.0 112.829 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -65.85 -26.75 67.79 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.492 -0.755 . . . . 0.0 112.527 171.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.556 ' HA ' ' HE3' ' A' ' 80' ' ' LYS . 8.5 t -74.1 -36.09 64.23 Favored 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 121.108 -0.995 . . . . 0.0 112.083 170.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.44 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 119.569 1.077 . . . . 0.0 110.454 172.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.84 -51.0 55.48 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.254 1.022 . . . . 0.0 112.835 172.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.556 ' HE3' ' HA ' ' A' ' 77' ' ' SER . 1.8 ptpt -70.14 -40.36 74.84 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.62 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.61 -42.79 83.97 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 118.943 0.792 . . . . 0.0 109.619 176.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.448 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 14.1 mt -56.57 -59.62 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.962 0.905 . . . . 0.0 110.263 173.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -62.69 -28.09 69.7 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -177.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.52 -42.81 58.26 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.515 1.526 . . . . 0.0 112.592 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.8 p -155.58 6.1 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -165.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.448 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 8.2 t60 -68.9 120.29 14.56 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 119.324 -2.11 . . . . 0.0 111.814 168.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.05 -5.63 81.7 Favored Glycine 0 N--CA 1.473 1.144 0 C-N-CA 124.932 1.254 . . . . 0.0 112.429 170.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -73.74 136.77 43.7 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 127.668 2.387 . . . . 0.0 108.26 168.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.0 p -77.47 100.54 6.06 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.954 1.302 . . . . 0.0 111.115 -178.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -94.82 146.68 24.03 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.625 -0.672 . . . . 0.0 110.534 171.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.99 -61.32 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 127.14 2.176 . . . . 0.0 114.996 -176.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -155.31 -2.81 0.15 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.322 1.849 . . . . 0.0 114.585 170.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -159.89 163.05 23.54 Favored Pre-proline 0 CA--C 1.55 0.961 0 CA-C-N 120.541 1.519 . . . . 0.0 111.827 -172.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -81.39 167.02 17.69 Favored 'Trans proline' 0 C--N 1.348 0.505 0 N-CA-C 118.043 2.286 . . . . 0.0 118.043 -169.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.428 ' CD1' ' HG3' ' A' ' 38' ' ' PRO . 1.3 mp -102.85 144.81 30.69 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 130.067 3.347 . . . . 0.0 112.267 -173.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -119.32 50.68 1.21 Allowed 'General case' 0 N--CA 1.481 1.113 0 CA-C-O 124.795 2.236 . . . . 0.0 110.26 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.04 105.02 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 C-N-CA 126.612 1.965 . . . . 0.0 108.301 174.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.761 HG13 ' H ' ' A' ' 99' ' ' TYR 0.301 0.8 OUTLIER -153.27 -127.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.532 0 C-N-CA 117.572 -1.651 . . . . 0.0 114.664 -165.712 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.761 ' H ' HG13 ' A' ' 98' ' ' VAL . 12.8 m-85 -115.21 18.01 16.38 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 127.611 2.364 . . . . 0.0 110.526 173.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.61 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 22.7 t 7.77 56.72 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 130.735 3.614 . . . . 0.0 118.329 -171.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -162.19 168.14 22.94 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.378 -1.451 . . . . 0.0 112.041 176.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -74.69 162.98 71.32 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 124.113 0.965 . . . . 0.0 111.289 168.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -64.45 102.56 0.4 Allowed 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 123.694 2.929 . . . . 0.0 111.222 170.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.986 0 C-N-CA 127.454 2.302 . . . . 0.0 109.75 -178.762 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 120.43 0.157 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.521 HD11 ' HA ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -141.85 167.43 22.15 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.209 1.803 . . . . 0.0 110.44 177.121 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.8 m -68.08 -14.75 63.22 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.874 1.67 . . . . 0.0 114.825 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.572 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 26.6 m-20 49.84 11.69 0.06 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 129.828 3.251 . . . . 0.0 117.78 177.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.405 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 82.3 p -150.27 25.55 0.8 Allowed 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -166.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.526 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 17.6 mtt180 -138.73 127.92 24.14 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 -166.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.628 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -100.69 104.43 15.72 Favored 'General case' 0 N--CA 1.443 -0.805 0 O-C-N 120.941 -1.099 . . . . 0.0 110.172 -170.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -98.28 103.1 15.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 123.941 1.829 . . . . 0.0 110.059 -172.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -138.14 127.64 33.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 122.774 1.273 . . . . 0.0 109.139 -167.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.97 22.28 0.04 OUTLIER Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 -167.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -70.02 -36.8 9.47 Favored 'Trans proline' 0 C--N 1.353 0.78 0 CA-C-N 121.997 1.749 . . . . 0.0 113.392 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -73.36 155.92 89.39 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 126.751 2.02 . . . . 0.0 114.258 -168.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -75.12 -173.64 1.66 Allowed 'Trans proline' 0 CA--C 1.549 1.227 0 C-N-CA 123.429 2.752 . . . . 0.0 110.544 166.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 mp -53.82 -18.02 2.9 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.724 1.61 . . . . 0.0 114.237 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.55 -23.05 66.79 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.802 2.041 . . . . 0.0 115.147 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.5 p -65.89 138.73 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 CA-C-N 120.519 1.509 . . . . 0.0 112.036 174.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -142.06 174.29 10.74 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.845 1.258 . . . . 0.0 109.731 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -59.7 -20.67 57.85 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 120.952 -1.093 . . . . 0.0 113.765 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -67.98 -35.25 78.03 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.086 1.354 . . . . 0.0 113.955 169.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -82.22 -39.4 23.14 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.331 1.453 . . . . 0.0 107.835 -177.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.445 ' CD1' HD11 ' A' ' 63' ' ' ILE . 8.1 mt -66.91 -29.96 69.98 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.368 169.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -61.68 -43.82 98.13 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 120.261 -1.524 . . . . 0.0 111.715 168.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -60.08 -34.39 73.39 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 170.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.0 mt -85.12 -40.77 15.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 123.635 0.774 . . . . 0.0 112.524 -174.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.548 ' CE2' HG21 ' A' ' 70' ' ' VAL . 69.7 m-85 -109.3 -22.65 11.96 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.658 1.583 . . . . 0.0 114.598 -169.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.04 -32.58 35.29 Favored Glycine 0 CA--C 1.541 1.66 0 CA-C-O 117.346 -1.808 . . . . 0.0 115.455 169.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -60.53 -24.39 78.02 Favored 'Trans proline' 0 C--N 1.361 1.2 0 CA-C-N 121.552 2.676 . . . . 0.0 114.574 173.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 3.4 m-85 -91.9 -45.04 8.57 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.643 1.177 . . . . 0.0 110.834 -177.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 129.43 -74.59 0.44 Allowed Glycine 0 CA--C 1.532 1.103 0 N-CA-C 117.337 1.695 . . . . 0.0 117.337 166.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -82.43 39.09 0.8 Allowed 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 123.771 2.98 . . . . 0.0 116.209 -165.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.04 97.59 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 125.366 1.466 . . . . 0.0 110.214 167.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.443 ' HE2' ' C ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -110.27 -24.0 10.91 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.181 1.792 . . . . 0.0 112.966 -167.11 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -142.46 156.96 45.22 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.348 1.059 . . . . 0.0 109.825 166.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 t -154.99 71.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 126.28 1.832 . . . . 0.0 107.756 -165.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -69.71 126.65 30.37 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 171.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.445 HD11 ' CD1' ' A' ' 48' ' ' LEU . 48.6 mt -128.52 123.27 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.915 0.886 . . . . 0.0 110.542 -178.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -115.65 179.32 4.0 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 128.799 2.839 . . . . 0.0 109.028 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -57.03 47.51 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 130.1 3.36 . . . . 0.0 117.412 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.18 5.27 15.11 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 126.575 2.035 . . . . 0.0 113.492 -169.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -127.48 148.23 50.31 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.331 1.565 . . . . 0.0 110.584 -174.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -142.33 134.11 26.98 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 124.685 1.194 . . . . 0.0 109.795 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -129.11 81.77 2.04 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 -178.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.548 HG21 ' CE2' ' A' ' 52' ' ' PHE . 1.3 t -78.08 155.24 5.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 112.999 -1.909 . . . . 0.0 106.438 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -150.69 146.76 26.67 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 120.753 -1.217 . . . . 0.0 110.156 -166.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.628 ' CE2' HD21 ' A' ' 34' ' ' LEU . 16.6 m-85 -133.11 168.88 17.71 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -173.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -95.98 -11.06 27.11 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -170.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.3 144.32 21.88 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.132 1.373 . . . . 0.0 110.276 -177.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.46 -16.39 64.19 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -170.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -51.4 -45.12 62.41 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.284 1.433 . . . . 0.0 113.967 168.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.1 p -67.31 -44.09 80.02 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 124.98 1.312 . . . . 0.0 112.0 -175.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.405 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -63.69 -49.42 73.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 117.904 -1.046 . . . . 0.0 110.911 170.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.33 -49.82 60.62 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 119.686 1.13 . . . . 0.0 111.897 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -44.5 76.51 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-O 118.169 -0.92 . . . . 0.0 112.84 175.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.25 85.67 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 119.671 1.123 . . . . 0.0 110.571 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.6 mt -54.6 -59.91 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 125.038 1.335 . . . . 0.0 110.596 171.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.42 -33.33 69.56 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -79.76 -39.03 31.9 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.631 1.572 . . . . 0.0 113.674 -174.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.515 HG13 HG21 ' A' ' 97' ' ' VAL . 13.6 p -149.2 1.61 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -166.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -73.45 130.09 39.37 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 119.575 -1.953 . . . . 0.0 111.395 168.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.72 -9.17 72.52 Favored Glycine 0 N--CA 1.472 1.079 0 C-N-CA 125.316 1.436 . . . . 0.0 111.73 172.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.439 ' HE2' ' HA ' ' A' ' 85' ' ' VAL . 1.8 mppt? -76.82 136.95 38.95 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 127.7 2.4 . . . . 0.0 108.973 169.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.2 p -83.75 110.04 17.99 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 125.64 1.576 . . . . 0.0 111.921 -171.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -106.93 144.44 33.56 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 122.005 -0.434 . . . . 0.0 109.924 172.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 53.85 -60.87 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 128.099 2.56 . . . . 0.0 116.299 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -156.6 -5.31 0.11 Allowed 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 126.571 1.949 . . . . 0.0 113.685 -175.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -161.09 165.01 17.85 Favored Pre-proline 0 N--CA 1.476 0.848 0 CA-C-N 120.192 1.36 . . . . 0.0 112.479 177.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -75.09 152.77 40.76 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 N-CA-C 116.478 1.684 . . . . 0.0 116.478 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.506 ' HB3' HG23 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -83.8 141.58 31.27 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 129.87 3.268 . . . . 0.0 112.291 179.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -115.15 50.91 0.95 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 125.898 2.761 . . . . 0.0 109.742 -178.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.515 HG21 HG13 ' A' ' 85' ' ' VAL . 54.8 t -67.18 104.21 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.505 -0.755 0 C-N-CA 127.584 2.354 . . . . 0.0 106.733 -177.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.664 HG13 ' H ' ' A' ' 99' ' ' TYR 0.3 1.1 p -153.76 -128.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.259 0 C-N-CA 116.754 -1.978 . . . . 0.0 114.592 -164.016 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.664 ' H ' HG13 ' A' ' 98' ' ' VAL . 13.0 m-30 -109.58 16.02 22.48 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 127.661 2.384 . . . . 0.0 110.041 168.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.526 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.345 31.3 t 36.67 14.61 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 131.605 3.962 . . . . 0.0 120.118 -170.759 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.521 ' HA ' HD11 ' A' ' 29' ' ' LEU . 91.9 mttt 60.84 5.57 0.99 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 116.211 1.93 . . . . 0.0 116.211 173.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -155.92 151.45 21.82 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 125.405 1.482 . . . . 0.0 112.832 176.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -88.87 -24.23 0.81 Allowed 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.677 2.918 . . . . 0.0 114.492 -178.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.847 0 C-N-CA 125.512 1.525 . . . . 0.0 111.745 178.55 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 67.93 -64.7 0.27 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 128.101 2.56 . . . . 0.0 112.173 -177.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.4 m -164.4 -20.38 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 128.526 2.731 . . . . 0.0 111.686 170.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.467 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 1.7 m-80 64.27 -15.85 0.08 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.612 2.365 . . . . 0.0 115.886 -177.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.4 p -138.45 32.16 2.31 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 119.054 2.983 . . . . 0.0 119.054 -165.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 6.1 mpt_? -132.92 135.53 45.61 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 121.293 1.861 . . . . 0.0 113.087 -174.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.739 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -114.05 125.74 54.33 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 119.951 -1.718 . . . . 0.0 112.911 -168.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -112.64 109.31 18.77 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 124.233 1.968 . . . . 0.0 105.943 -167.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.297 6.8 t -135.1 100.11 2.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 112.876 -1.965 . . . . 0.0 107.348 -159.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -141.79 7.73 0.03 OUTLIER Pre-proline 0 CA--C 1.551 1.003 0 N-CA-C 119.952 3.315 . . . . 0.0 119.952 -165.244 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.492 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 76.0 Cg_exo -53.06 -41.91 68.45 Favored 'Trans proline' 0 C--N 1.356 0.963 0 CA-C-N 123.642 2.336 . . . . 0.0 114.843 170.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.88 154.49 94.64 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 126.53 1.932 . . . . 0.0 112.231 -170.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -78.13 -167.49 0.5 Allowed 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 121.597 1.532 . . . . 0.0 110.076 165.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mp -52.47 -14.23 0.46 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.012 1.725 . . . . 0.0 114.836 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -58.42 -33.2 69.42 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.173 2.189 . . . . 0.0 115.558 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -68.35 139.7 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 120.24 1.382 . . . . 0.0 111.967 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -143.16 175.57 9.77 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.817 1.247 . . . . 0.0 110.182 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -53.32 -32.36 48.57 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-O 118.131 -0.938 . . . . 0.0 112.836 176.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.9 p -65.96 -34.27 77.71 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.773 1.624 . . . . 0.0 114.289 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -80.65 -39.65 26.95 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.361 1.064 . . . . 0.0 108.734 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.8 mt -62.85 -39.16 93.53 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.694 168.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.05 -39.98 91.91 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.126 1.33 . . . . 0.0 112.052 174.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -62.21 -42.59 99.44 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 171.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 82.1 mt -80.55 -36.88 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.162 0.985 . . . . 0.0 112.947 -174.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.424 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 47.7 m-85 -106.28 -21.0 13.22 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.662 1.985 . . . . 0.0 114.006 -169.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -48.31 -33.11 10.69 Favored Glycine 0 CA--C 1.543 1.832 0 CA-C-O 117.218 -1.879 . . . . 0.0 115.0 169.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -63.0 -22.85 73.99 Favored 'Trans proline' 0 CA--C 1.546 1.094 0 CA-C-N 121.851 2.826 . . . . 0.0 114.433 172.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.9 m-30 -87.75 -40.83 13.76 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.352 1.061 . . . . 0.0 111.059 -173.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.62 -88.37 0.26 Allowed Glycine 0 CA--C 1.535 1.303 0 N-CA-C 118.491 2.156 . . . . 0.0 118.491 165.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -63.24 -35.57 62.41 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 N-CA-C 118.099 2.307 . . . . 0.0 118.099 -165.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.9 mtp 31.55 50.88 0.15 Allowed 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 127.34 2.256 . . . . 0.0 114.448 -170.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -25.82 52.66 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 126.997 2.119 . . . . 0.0 113.42 -173.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -152.17 156.51 39.94 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.067 0.461 . . . . 0.0 112.028 169.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 t -154.35 68.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.322 0 C-N-CA 125.177 1.391 . . . . 0.0 108.202 -171.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -66.52 122.44 17.57 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.137 -0.977 . . . . 0.0 108.447 177.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.598 ' C ' HD12 ' A' ' 64' ' ' LEU . 13.6 mm -113.69 124.37 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.46 1.104 . . . . 0.0 110.329 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.604 HD13 ' CE1' ' A' ' 69' ' ' PHE . 4.4 mp -132.56 177.9 7.25 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.777 2.431 . . . . 0.0 109.863 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -58.23 49.66 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 130.305 3.442 . . . . 0.0 117.725 -169.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.01 3.18 18.07 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.985 1.755 . . . . 0.0 113.148 -169.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -132.74 140.96 48.3 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 118.267 1.034 . . . . 0.0 110.831 -171.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.04 135.66 53.74 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 126.4 1.88 . . . . 0.0 107.585 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.604 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -128.76 83.89 2.19 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 177.004 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.424 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 2.1 t -79.22 166.44 2.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 113.299 -1.773 . . . . 0.0 108.342 -176.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.564 ' CD ' ' HE ' ' A' ' 33' ' ' ARG . 26.3 tt0 -160.22 154.74 23.83 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.14 -0.975 . . . . 0.0 110.938 -171.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.739 ' CE2' HD21 ' A' ' 34' ' ' LEU . 25.9 m-85 -132.45 165.53 24.09 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 113.703 -1.589 . . . . 0.0 111.437 169.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -98.71 2.77 47.39 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.21 149.97 42.08 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.159 1.384 . . . . 0.0 111.617 -177.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.81 -23.01 59.61 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -177.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -58.97 -52.67 64.74 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.588 1.086 . . . . 0.0 113.798 174.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.519 ' HB2' ' CG ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -56.36 -46.79 79.84 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 126.55 1.94 . . . . 0.0 112.122 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.83 -47.47 65.95 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 175.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.62 -46.42 77.38 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.411 1.085 . . . . 0.0 112.016 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.2 -39.33 78.71 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-O 117.844 -1.075 . . . . 0.0 112.72 173.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.99 -46.0 78.83 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.468 1.031 . . . . 0.0 110.303 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.9 mt -52.82 -59.25 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.57 0 C-N-CA 124.35 1.06 . . . . 0.0 109.99 172.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -63.32 -25.22 68.21 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.06 -35.0 29.19 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.861 1.665 . . . . 0.0 113.401 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.624 HG13 HG21 ' A' ' 97' ' ' VAL . 7.2 p -147.95 -12.33 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.856 1.799 . . . . 0.0 115.856 -168.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -63.42 119.69 10.21 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 119.44 -2.037 . . . . 0.0 110.777 168.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.05 2.9 58.07 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 123.614 0.626 . . . . 0.0 112.211 171.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -96.64 132.51 42.21 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 126.585 1.954 . . . . 0.0 108.464 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.7 p -79.6 96.75 6.25 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 124.744 1.218 . . . . 0.0 113.267 -169.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.56 ' HB2' HD21 ' A' ' 95' ' ' LEU . 2.6 t80 -95.14 142.01 28.09 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.997 -0.439 . . . . 0.0 111.096 170.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 55.09 -59.97 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 128.574 2.75 . . . . 0.0 117.11 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -151.57 -10.23 0.21 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 126.872 2.069 . . . . 0.0 114.227 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -158.88 164.19 21.83 Favored Pre-proline 0 N--CA 1.475 0.817 0 CA-C-N 119.432 1.015 . . . . 0.0 111.311 -171.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.78 151.62 31.93 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 121.016 1.144 . . . . 0.0 114.754 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.56 HD21 ' HB2' ' A' ' 90' ' ' PHE . 2.0 mm? -69.92 154.25 42.2 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 113.683 -1.599 . . . . 0.0 111.728 169.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -129.07 49.68 2.21 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 125.545 2.593 . . . . 0.0 109.554 -171.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.624 HG21 HG13 ' A' ' 85' ' ' VAL . 50.8 t -72.28 106.29 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 129.086 2.954 . . . . 0.0 107.192 -173.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.873 HG13 ' H ' ' A' ' 99' ' ' TYR 0.282 1.9 p -157.31 -114.39 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 121.43 1.923 . . . . 0.0 114.816 -162.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.873 ' H ' HG13 ' A' ' 98' ' ' VAL . 7.8 m-30 -117.28 11.39 14.02 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.884 2.474 . . . . 0.0 112.121 173.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.594 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 18.1 m 0.25 -56.02 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.003 2 C-N-CA 133.856 4.862 . . . . 0.0 122.224 -175.804 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.64 161.91 41.94 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 119.963 1.256 . . . . 0.0 113.834 -168.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.587 ' H ' ' HD2' ' A' ' 103' ' ' PRO . 2.8 tt -143.56 -50.55 0.02 OUTLIER Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 125.309 1.444 . . . . 0.0 112.894 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.587 ' HD2' ' H ' ' A' ' 102' ' ' LEU . 44.7 Cg_endo -79.43 27.79 0.52 Allowed 'Trans proline' 0 CA--C 1.553 1.464 0 C-N-CA 123.13 2.553 . . . . 0.0 113.966 -176.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 C-N-CA 127.058 2.143 . . . . 0.0 111.681 -176.587 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 119.947 -0.073 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.57 -64.24 0.15 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.186 1.395 . . . . 0.0 110.214 -175.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.1 m -175.04 -32.52 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 130.11 3.364 . . . . 0.0 109.592 175.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.538 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 1.9 m-20 61.53 10.65 3.35 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 128.718 2.807 . . . . 0.0 115.029 172.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.424 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 70.1 p -151.8 20.66 0.7 Allowed 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 -164.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.624 ' HB3' ' HB2' ' A' ' 100' ' ' SER . 92.7 mtt180 -134.52 139.04 45.15 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 122.273 2.306 . . . . 0.0 115.857 -164.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.614 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -117.22 109.04 16.39 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 120.2 -1.563 . . . . 0.0 113.649 -167.636 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.486 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 1.1 t80 -102.14 98.89 8.99 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-O 123.725 1.726 . . . . 0.0 109.124 -169.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.7 127.29 58.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 122.853 1.311 . . . . 0.0 107.818 -170.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.597 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 19.6 ptt-85 -147.35 11.41 0.02 OUTLIER Pre-proline 0 CA--C 1.554 1.126 0 N-CA-C 119.698 3.222 . . . . 0.0 119.698 -163.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.597 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 78.2 Cg_exo -54.45 -42.46 67.66 Favored 'Trans proline' 0 C--N 1.356 0.923 0 CA-C-N 123.444 2.266 . . . . 0.0 115.105 172.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.59 137.69 58.9 Favored Pre-proline 0 N--CA 1.448 -0.57 0 C-N-CA 126.839 2.055 . . . . 0.0 113.484 -168.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -65.65 -167.48 0.11 Allowed 'Trans proline' 0 CA--C 1.556 1.615 0 C-N-CA 123.16 2.573 . . . . 0.0 110.991 163.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.7 mp -61.98 -4.9 1.8 Allowed 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -175.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -69.9 -11.49 60.91 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 174.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 p -79.8 146.9 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 119.674 1.124 . . . . 0.0 110.847 169.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -161.73 -169.45 2.25 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.626 1.17 . . . . 0.0 110.784 168.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.68 -36.58 57.3 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -169.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 p -64.36 -29.73 70.8 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 121.411 1.914 . . . . 0.0 114.34 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -85.14 -41.02 16.08 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 125.095 1.358 . . . . 0.0 108.832 -176.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.67 -39.95 95.54 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.296 169.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -58.23 -44.5 88.26 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 120.789 -1.194 . . . . 0.0 112.066 171.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -60.14 -36.48 77.6 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 173.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.9 mt -84.07 -42.63 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 124.585 1.154 . . . . 0.0 112.659 -175.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.574 ' CE2' HG21 ' A' ' 70' ' ' VAL . 66.9 m-85 -101.8 -31.75 10.6 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.482 1.913 . . . . 0.0 114.248 -171.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.04 -34.52 23.96 Favored Glycine 0 CA--C 1.544 1.88 0 CA-C-O 117.274 -1.848 . . . . 0.0 114.877 174.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -59.15 -25.76 79.24 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 CA-C-N 121.816 2.808 . . . . 0.0 114.779 172.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 4.9 m-85 -81.15 -28.24 35.13 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.075 1.35 . . . . 0.0 112.442 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.79 -83.56 0.31 Allowed Glycine 0 CA--C 1.534 1.271 0 C-N-CA 123.887 0.756 . . . . 0.0 113.095 172.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -81.36 166.03 18.35 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.586 2.858 . . . . 0.0 113.253 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mtp -155.11 97.27 1.91 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 129.64 3.176 . . . . 0.0 104.772 166.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.5 -23.06 15.69 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 125.483 1.513 . . . . 0.0 111.847 -168.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.43 156.82 32.84 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.952 1.701 . . . . 0.0 110.188 167.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.418 HG13 HG22 ' A' ' 70' ' ' VAL . 2.3 t -155.76 78.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 125.494 1.518 . . . . 0.0 107.695 -166.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.73 122.38 24.64 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 174.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.486 ' C ' HD22 ' A' ' 64' ' ' LEU . 49.5 mt -130.41 123.86 56.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.315 1.046 . . . . 0.0 110.004 -174.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.486 HD22 ' C ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -132.97 -175.13 3.68 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 127.637 2.375 . . . . 0.0 110.066 -169.146 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -52.21 46.07 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.33 1 C-N-CA 132.417 4.287 . . . . 0.0 118.206 -173.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.72 24.37 9.31 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 126.373 1.939 . . . . 0.0 112.589 -168.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -136.19 148.75 48.28 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.83 0.852 . . . . 0.0 111.019 -177.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.04 136.19 35.02 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.615 1.166 . . . . 0.0 109.5 169.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -126.45 82.64 2.09 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 126.429 1.891 . . . . 0.0 106.023 174.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.574 HG21 ' CE2' ' A' ' 52' ' ' PHE . 1.8 t -75.57 164.02 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 113.192 -1.822 . . . . 0.0 108.259 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -155.66 145.13 21.02 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 120.95 -1.094 . . . . 0.0 108.965 -168.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.614 ' CE2' HD21 ' A' ' 34' ' ' LEU . 10.6 m-85 -127.61 171.34 11.74 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.999 1.32 . . . . 0.0 111.937 178.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -109.11 10.02 26.09 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.202 1.001 . . . . 0.0 113.019 173.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -131.67 111.41 11.66 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.144 2.178 . . . . 0.0 108.617 -173.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.55 -30.39 69.74 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 120.283 -1.511 . . . . 0.0 113.019 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -65.81 -24.38 66.9 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.384 1.074 . . . . 0.0 113.327 172.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.412 ' HA ' ' HE2' ' A' ' 80' ' ' LYS . 52.9 p -76.16 -38.27 56.9 Favored 'General case' 0 CA--C 1.516 -0.334 0 O-C-N 121.387 -0.821 . . . . 0.0 111.509 178.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -66.85 -44.14 81.79 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.638 167.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.75 -51.72 54.09 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.688 1.131 . . . . 0.0 112.097 177.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' A' ' 77' ' ' SER . 0.2 OUTLIER -66.93 -42.86 84.6 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 118.133 -0.937 . . . . 0.0 112.472 174.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.11 79.28 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.437 1.017 . . . . 0.0 110.633 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.2 mt -56.54 -61.12 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.448 0 C-N-CA 125.002 1.321 . . . . 0.0 110.028 172.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -60.96 -30.48 70.27 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -176.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -71.92 -43.83 64.67 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.962 1.705 . . . . 0.0 113.184 -177.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.506 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . 8.6 p -150.08 4.21 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 -166.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -70.45 123.9 22.89 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 119.388 -2.07 . . . . 0.0 111.097 168.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.46 -10.11 72.93 Favored Glycine 0 N--CA 1.471 1.024 0 C-N-CA 125.711 1.624 . . . . 0.0 112.147 173.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.506 ' HE2' ' HA ' ' A' ' 85' ' ' VAL . 2.2 mppt? -75.34 142.61 43.15 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 127.489 2.315 . . . . 0.0 108.064 168.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.465 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 49.5 m -92.9 127.85 38.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.812 0.815 . . . . 0.0 111.953 -174.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -114.82 147.65 39.55 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.68 171.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 55.48 -59.45 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 127.69 2.396 . . . . 0.0 115.73 -174.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -156.54 -6.95 0.1 Allowed 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 127.127 2.171 . . . . 0.0 114.613 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -163.01 165.37 14.91 Favored Pre-proline 0 N--CA 1.482 1.152 0 CA-C-N 119.816 1.189 . . . . 0.0 111.69 -169.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.465 ' HA ' ' HA ' ' A' ' 89' ' ' SER . 60.9 Cg_endo -82.4 161.12 17.3 Favored 'Trans proline' 0 C--N 1.345 0.346 0 N-CA-C 118.301 2.385 . . . . 0.0 118.301 -171.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.42 ' CD1' ' HG2' ' A' ' 38' ' ' PRO . 1.0 OUTLIER -96.21 139.82 31.81 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 130.001 3.32 . . . . 0.0 111.482 -176.813 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -115.76 48.71 1.18 Allowed 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 124.693 2.187 . . . . 0.0 109.02 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.401 HG21 HG13 ' A' ' 85' ' ' VAL . 72.1 t -62.34 109.39 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 C-N-CA 125.975 1.71 . . . . 0.0 108.005 174.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.483 HG13 ' H ' ' A' ' 99' ' ' TYR 0.297 0.5 OUTLIER -156.1 -136.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 N-CA-C 117.539 2.422 . . . . 0.0 117.539 -164.658 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.538 ' CD1' ' HA ' ' A' ' 31' ' ' ASN . 16.0 m-30 -105.99 49.26 0.81 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.287 2.235 . . . . 0.0 105.91 165.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.624 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 25.2 m -47.99 145.98 2.75 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.395 1.878 . . . . 0.0 113.54 -171.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -137.05 144.07 42.99 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 123.34 1.543 . . . . 0.0 115.136 -170.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.7 tt -149.94 158.13 37.27 Favored Pre-proline 0 CA--C 1.56 1.334 1 C-N-CA 132.472 4.309 . . . . 0.0 104.539 175.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -53.15 11.22 0.02 OUTLIER 'Trans proline' 0 CA--C 1.556 1.616 0 C-N-CA 125.22 3.947 . . . . 0.0 121.312 -172.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.17 0 C-N-CA 126.487 1.915 . . . . 0.0 111.645 172.012 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 119.337 -0.363 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 70.19 -63.63 0.39 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.359 2.263 . . . . 0.0 113.694 171.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.414 ' H ' ' H ' ' A' ' 31' ' ' ASN . 58.0 m -166.96 -18.8 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 129.036 2.934 . . . . 0.0 111.915 173.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.414 ' H ' ' H ' ' A' ' 30' ' ' SER . 0.8 OUTLIER 64.13 -24.34 0.07 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 127.067 2.147 . . . . 0.0 116.139 -177.588 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.3 p -140.26 44.74 1.87 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 116.768 2.136 . . . . 0.0 116.768 -166.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.525 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 5.3 mpt_? -136.55 123.5 21.44 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 123.504 1.621 . . . . 0.0 114.999 176.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.564 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -100.31 105.04 16.54 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 120.839 -1.163 . . . . 0.0 110.368 -171.304 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.456 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 4.4 t80 -92.81 97.62 10.88 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 125.349 2.5 . . . . 0.0 106.821 -172.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.485 HG12 ' HE1' ' A' ' 39' ' ' PHE 0.286 40.2 t -126.53 91.72 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 111.627 -2.533 . . . . 0.0 107.213 -160.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.4 ptt85 -125.79 14.83 0.06 OUTLIER Pre-proline 0 CA--C 1.55 0.967 0 N-CA-C 118.419 2.748 . . . . 0.0 118.419 -166.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -71.9 -32.13 11.72 Favored 'Trans proline' 0 C--N 1.351 0.673 0 CA-C-N 122.437 1.906 . . . . 0.0 113.042 -177.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.485 ' HE1' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -79.9 157.67 73.69 Favored Pre-proline 0 C--N 1.323 -0.565 0 C-N-CA 125.918 1.687 . . . . 0.0 112.613 -169.258 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -81.83 -159.35 0.11 Allowed 'Trans proline' 0 CA--C 1.548 1.206 0 C-N-CA 122.446 2.097 . . . . 0.0 110.177 165.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.628 ' H ' HD22 ' A' ' 41' ' ' LEU . 1.8 mm? -52.35 -22.89 5.05 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.356 1.463 . . . . 0.0 113.741 174.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -71.28 31.28 0.05 OUTLIER 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 127.878 2.471 . . . . 0.0 115.245 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.9 p -128.67 139.79 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.238 1.415 . . . . 0.0 111.265 168.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -149.34 169.72 20.17 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.123 1.369 . . . . 0.0 109.338 -169.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -30.24 56.84 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -64.39 -33.15 75.18 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.145 -1.597 . . . . 0.0 114.568 172.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -81.96 -40.03 22.83 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 120.269 -1.519 . . . . 0.0 109.208 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.5 HD13 HD11 ' A' ' 63' ' ' ILE . 4.7 mt -65.49 -33.54 76.17 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.693 171.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -62.82 -44.76 95.3 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 119.784 -1.822 . . . . 0.0 111.84 169.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -58.28 -37.53 75.19 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.3 mt -91.98 -34.54 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.056 0.942 . . . . 0.0 112.892 -172.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.482 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 30.0 m-85 -107.76 -18.96 13.69 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.571 1.548 . . . . 0.0 113.581 -172.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.11 -33.13 29.49 Favored Glycine 0 CA--C 1.541 1.697 0 CA-C-O 117.688 -1.618 . . . . 0.0 114.643 168.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -62.32 -25.0 76.25 Favored 'Trans proline' 0 C--N 1.358 1.077 0 CA-C-N 121.538 2.669 . . . . 0.0 114.51 171.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.402 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.9 m-30 -84.5 -49.82 8.29 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.553 0.741 . . . . 0.0 111.312 -175.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.71 -73.1 0.29 Allowed Glycine 0 CA--C 1.54 1.602 0 CA-C-O 118.265 -1.297 . . . . 0.0 115.398 169.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -68.16 32.56 0.15 Allowed 'Trans proline' 0 CA--C 1.548 1.201 0 C-N-CA 124.498 3.466 . . . . 0.0 118.706 -173.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.4 ptm -57.18 69.3 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 127.742 2.417 . . . . 0.0 114.369 170.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -65.28 -36.93 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 130.219 3.408 . . . . 0.0 112.996 -178.348 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -147.77 156.39 42.69 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 121.934 0.873 . . . . 0.0 110.65 173.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.602 HG13 HG22 ' A' ' 70' ' ' VAL . 2.4 t -150.3 72.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 -168.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -71.1 111.02 6.13 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.859 -1.164 . . . . 0.0 107.859 -174.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.588 ' C ' HD12 ' A' ' 64' ' ' LEU . 42.6 mt -120.1 123.14 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.375 1.07 . . . . 0.0 111.985 -168.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.588 HD12 ' C ' ' A' ' 63' ' ' ILE . 5.0 mp -132.79 -178.72 5.07 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 129.004 2.921 . . . . 0.0 109.648 -171.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -56.53 50.56 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 130.898 3.679 . . . . 0.0 117.978 -171.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.75 13.75 17.55 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.255 1.407 . . . . 0.0 113.105 -169.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -134.24 144.56 48.48 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.835 0.826 . . . . 0.0 111.659 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -128.79 131.63 47.81 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 126.66 1.984 . . . . 0.0 107.059 169.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.482 ' HE1' HD13 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -122.74 82.4 1.98 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 172.462 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.602 HG22 HG13 ' A' ' 61' ' ' VAL . 1.7 t -68.94 158.2 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.11 -1.404 . . . . 0.0 107.784 175.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -154.62 142.04 19.65 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 120.964 -1.085 . . . . 0.0 108.443 -168.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.564 ' CE2' HD21 ' A' ' 34' ' ' LEU . 6.1 m-85 -124.75 163.79 21.35 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.776 0.673 . . . . 0.0 111.897 177.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -102.95 7.28 39.21 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.774 0.83 . . . . 0.0 112.641 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -148.02 137.51 22.31 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.395 1.478 . . . . 0.0 110.133 -168.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.05 -29.54 49.35 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 116.463 2.024 . . . . 0.0 116.463 -169.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -67.1 -32.44 73.59 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 120.458 1.481 . . . . 0.0 112.026 175.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.1 p -59.39 -40.9 88.03 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.825 0.85 . . . . 0.0 112.17 174.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.83 -45.86 56.14 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.508 -0.758 . . . . 0.0 111.03 175.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.52 -47.17 63.4 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 123.76 0.824 . . . . 0.0 111.849 174.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -69.68 -41.72 75.08 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-O 117.574 -1.203 . . . . 0.0 112.481 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.26 -44.67 84.12 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.08 1.309 . . . . 0.0 110.402 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.407 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 14.4 mt -53.73 -59.64 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 124.624 1.17 . . . . 0.0 110.398 172.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -63.97 -25.77 68.28 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -75.89 -41.19 52.77 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.606 1.563 . . . . 0.0 112.574 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.699 HG13 HG21 ' A' ' 97' ' ' VAL . 7.8 p -149.58 -0.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -166.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 12.8 t60 -67.32 120.13 13.33 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 119.359 -2.088 . . . . 0.0 112.556 169.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.35 -2.62 87.48 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.824 1.202 . . . . 0.0 112.176 172.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.68 143.39 40.09 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.787 2.035 . . . . 0.0 107.753 169.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.9 p -91.55 102.64 15.29 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.594 1.158 . . . . 0.0 112.581 -169.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.526 ' HB2' HD21 ' A' ' 95' ' ' LEU . 8.6 t80 -100.5 141.9 32.72 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.702 -0.624 . . . . 0.0 111.866 173.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 53.21 -56.46 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 129.271 3.028 . . . . 0.0 117.039 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -152.63 -10.38 0.18 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.735 2.014 . . . . 0.0 114.123 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -157.4 161.94 28.31 Favored Pre-proline 0 N--CA 1.474 0.728 0 CA-C-N 119.613 1.097 . . . . 0.0 111.988 -171.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.39 149.16 27.32 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 121.132 1.221 . . . . 0.0 114.702 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.543 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.4 mm? -70.23 161.59 30.02 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.05 2.14 . . . . 0.0 113.714 173.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -130.61 48.89 2.36 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 124.835 2.255 . . . . 0.0 109.662 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.699 HG21 HG13 ' A' ' 85' ' ' VAL . 53.1 t -65.26 98.08 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 127.778 2.431 . . . . 0.0 106.682 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.939 HG13 ' H ' ' A' ' 99' ' ' TYR 0.278 1.5 p -157.12 -112.88 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 121.267 1.849 . . . . 0.0 112.958 -163.688 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.939 ' H ' HG13 ' A' ' 98' ' ' VAL . 5.4 m-85 -119.61 12.18 12.22 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 128.798 2.839 . . . . 0.0 110.624 174.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.525 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.37 28.9 t 39.88 53.82 2.61 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 129.837 3.255 . . . . 0.0 118.281 -175.486 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -156.83 142.87 17.97 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.591 1.557 . . . . 0.0 108.057 165.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 93.5 mt -52.54 157.86 2.33 Favored Pre-proline 0 CA--C 1.553 1.07 0 C-N-CA 125.002 1.321 . . . . 0.0 111.828 171.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -66.85 2.09 2.32 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 123.741 2.961 . . . . 0.0 114.935 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 C-N-CA 126.964 2.105 . . . . 0.0 109.609 170.215 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 119.905 -0.093 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 tp -151.54 178.5 9.25 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.204 1.401 . . . . 0.0 110.51 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 m -66.04 -21.94 66.41 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -170.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.522 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.8 OUTLIER 55.29 6.15 0.15 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.653 1.981 . . . . 0.0 115.608 -168.535 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.3 p -149.64 16.33 0.89 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 118.016 2.599 . . . . 0.0 118.016 -162.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.422 ' CB ' ' HB3' ' A' ' 100' ' ' SER . 56.1 mtt85 -137.5 127.86 26.43 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 125.469 2.557 . . . . 0.0 116.696 -166.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.507 ' HA ' ' H ' ' A' ' 98' ' ' VAL . 0.2 OUTLIER -100.25 97.19 8.01 Favored 'General case' 0 N--CA 1.426 -1.656 0 CA-C-N 113.174 -1.83 . . . . 0.0 110.7 -168.319 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -92.98 94.9 9.16 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 124.318 2.008 . . . . 0.0 110.067 -169.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -124.97 127.31 72.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 123.504 1.621 . . . . 0.0 108.363 -173.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.3 ptt85 -154.24 27.7 0.04 OUTLIER Pre-proline 0 CA--C 1.547 0.85 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -163.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.61 -30.32 6.45 Favored 'Trans proline' 0 C--N 1.354 0.828 0 CA-C-N 121.682 1.637 . . . . 0.0 112.669 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.02 163.75 66.12 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 126.075 1.75 . . . . 0.0 113.643 -168.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -84.54 -163.18 0.18 Allowed 'Trans proline' 0 CA--C 1.55 1.305 0 C-N-CA 123.545 2.83 . . . . 0.0 109.206 165.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 mp -55.29 -18.91 7.14 Favored 'General case' 0 CA--C 1.553 1.076 0 O-C-N 120.317 -1.489 . . . . 0.0 114.098 175.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.69 -17.15 63.83 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.443 2.297 . . . . 0.0 115.951 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.82 143.93 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 122.153 2.251 . . . . 0.0 110.738 170.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.27 173.46 11.94 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.321 0.582 . . . . 0.0 111.233 171.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.55 -27.97 18.89 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 176.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.6 m -73.96 -29.91 62.25 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.788 1.235 . . . . 0.0 113.126 175.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -75.1 -42.0 57.5 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 123.245 1.498 . . . . 0.0 108.559 176.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.6 mt -67.88 -32.66 73.31 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 114.074 -1.421 . . . . 0.0 109.882 173.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.63 -42.05 98.21 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 119.891 -1.756 . . . . 0.0 112.244 170.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -60.65 -36.95 79.96 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 173.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.0 mt -91.4 -32.97 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.848 0.859 . . . . 0.0 113.101 -173.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -109.47 -16.19 14.05 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.65 1.98 . . . . 0.0 112.864 -171.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.18 -33.25 37.72 Favored Glycine 0 CA--C 1.544 1.891 0 CA-C-O 117.319 -1.823 . . . . 0.0 114.366 167.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.88 -28.67 86.75 Favored 'Trans proline' 0 C--N 1.353 0.809 0 CA-C-N 121.701 2.751 . . . . 0.0 113.843 170.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -79.71 -55.06 5.28 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.595 1.158 . . . . 0.0 108.867 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.74 -67.75 0.33 Allowed Glycine 0 CA--C 1.535 1.323 0 N-CA-C 117.502 1.761 . . . . 0.0 117.502 167.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -79.24 27.11 0.53 Allowed 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.986 3.124 . . . . 0.0 116.077 -166.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -42.5 97.16 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 126.24 1.816 . . . . 0.0 112.292 172.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.6 -30.62 16.26 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 128.24 2.616 . . . . 0.0 111.306 -169.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -143.45 156.18 44.57 Favored 'General case' 0 CA--C 1.513 -0.47 0 C-N-CA 123.818 0.847 . . . . 0.0 110.062 169.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.6 t -151.15 63.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 -167.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -71.01 110.57 5.78 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -172.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.63 ' C ' HD12 ' A' ' 64' ' ' LEU . 11.1 mm -107.38 127.17 63.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.954 1.302 . . . . 0.0 109.588 -174.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.63 HD12 ' C ' ' A' ' 63' ' ' ILE . 0.5 OUTLIER -134.4 168.29 19.19 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 126.137 1.775 . . . . 0.0 108.667 176.142 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.67 96.27 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.937 1.295 . . . . 0.0 113.874 168.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.02 5.72 81.0 Favored Glycine 0 CA--C 1.536 1.353 0 N-CA-C 115.549 0.98 . . . . 0.0 115.549 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -130.16 148.97 52.06 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 118.661 1.23 . . . . 0.0 113.202 174.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.47 116.65 11.81 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 126.983 2.113 . . . . 0.0 107.798 172.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.528 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -109.68 82.54 1.61 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 175.363 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.405 ' HB ' ' HB2' ' A' ' 34' ' ' LEU . 1.6 t -70.1 159.92 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 114.217 -1.356 . . . . 0.0 107.417 171.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -157.66 153.31 26.53 Favored 'General case' 0 C--N 1.315 -0.927 0 O-C-N 120.779 -1.201 . . . . 0.0 109.219 -167.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.486 ' CE2' HD21 ' A' ' 34' ' ' LEU . 28.0 m-85 -129.36 168.21 16.6 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.852 1.261 . . . . 0.0 110.769 174.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -100.68 5.2 43.7 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 176.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.85 173.13 11.82 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.013 1.725 . . . . 0.0 110.86 170.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.81 -6.9 19.83 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 -171.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -72.91 -38.73 66.79 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.739 -1.226 . . . . 0.0 111.148 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.5 p -58.76 -46.85 86.53 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 126.872 2.069 . . . . 0.0 111.416 170.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.09 79.04 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.118 172.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.72 -49.51 65.26 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 119.142 0.883 . . . . 0.0 112.516 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.5 pttt -67.5 -43.35 81.1 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 118.064 -0.969 . . . . 0.0 113.257 175.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.54 -43.03 84.08 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.347 0.976 . . . . 0.0 109.89 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.0 mt -55.02 -60.41 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.25 0 C-N-CA 124.598 1.159 . . . . 0.0 110.205 173.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -62.3 -29.32 70.35 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.05 -41.97 73.48 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.038 1.335 . . . . 0.0 113.094 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.468 HG13 HG21 ' A' ' 97' ' ' VAL . 7.0 p -152.68 0.06 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -166.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -67.34 121.37 15.57 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 119.152 -2.218 . . . . 0.0 110.169 168.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.53 2.29 57.63 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.411 1.005 . . . . 0.0 112.409 172.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -96.06 130.46 43.07 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 127.149 2.18 . . . . 0.0 108.757 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.3 p -74.53 101.39 4.16 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 125.974 1.71 . . . . 0.0 112.211 -171.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -103.85 145.72 29.7 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.559 -0.713 . . . . 0.0 110.419 171.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 55.73 -55.28 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 128.351 2.66 . . . . 0.0 116.952 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -154.41 -10.5 0.13 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.808 2.043 . . . . 0.0 114.242 174.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -159.59 162.85 24.5 Favored Pre-proline 0 N--CA 1.474 0.759 0 CA-C-N 120.311 1.414 . . . . 0.0 112.054 -170.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.54 150.7 36.24 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 N-CA-C 116.014 1.505 . . . . 0.0 116.014 -176.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.33 143.3 38.88 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 128.793 2.837 . . . . 0.0 112.741 177.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -118.9 48.47 1.46 Allowed 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 125.625 2.631 . . . . 0.0 109.62 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.468 HG21 HG13 ' A' ' 85' ' ' VAL . 57.5 t -61.32 103.93 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 CA-C-N 112.956 -1.929 . . . . 0.0 107.749 176.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.73 HG13 ' H ' ' A' ' 99' ' ' TYR 0.303 0.5 OUTLIER -153.03 -128.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 117.733 -1.587 . . . . 0.0 114.156 -165.038 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.73 ' H ' HG13 ' A' ' 98' ' ' VAL . 15.0 m-30 -111.65 24.15 13.07 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 127.534 2.334 . . . . 0.0 110.029 169.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.422 ' HB3' ' CB ' ' A' ' 33' ' ' ARG 0.293 29.3 t 27.9 91.37 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 130.869 3.668 . . . . 0.0 119.304 -169.747 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -73.96 177.92 5.3 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.402 1.081 . . . . 0.0 109.16 164.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.547 ' H ' ' HD2' ' A' ' 103' ' ' PRO . 36.8 tp -153.48 -47.41 0.01 OUTLIER Pre-proline 0 CA--C 1.555 1.156 0 CA-C-O 117.463 -1.256 . . . . 0.0 114.183 169.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.547 ' HD2' ' H ' ' A' ' 102' ' ' LEU . 67.4 Cg_endo -80.79 -5.06 13.06 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 122.445 2.097 . . . . 0.0 114.134 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.21 0 C-N-CA 127.954 2.502 . . . . 0.0 110.109 -179.881 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 120.848 0.356 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.26 -171.18 3.84 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.906 2.082 . . . . 0.0 109.147 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.3 m -57.29 -26.79 61.42 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 174.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.558 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 20.0 m-20 56.19 11.41 0.77 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 127.317 2.247 . . . . 0.0 114.888 -172.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.0 p -150.31 17.77 0.84 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 117.376 2.361 . . . . 0.0 117.376 -164.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.463 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 49.1 mtt180 -138.75 134.24 33.24 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 123.587 2.903 . . . . 0.0 117.279 -168.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.748 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -110.67 103.08 11.6 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 113.897 -1.501 . . . . 0.0 109.582 -169.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -88.11 100.95 13.34 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 128.218 2.607 . . . . 0.0 105.0 -174.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.478 HG12 ' CE1' ' A' ' 39' ' ' PHE . 22.4 t -134.1 98.45 2.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 113.673 -1.603 . . . . 0.0 109.037 -160.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -132.19 23.75 0.1 OUTLIER Pre-proline 0 CA--C 1.55 0.965 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 -172.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.29 -11.24 24.78 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 CA-C-N 122.162 1.808 . . . . 0.0 113.915 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.478 ' CE1' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -103.6 162.77 18.99 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 125.477 1.511 . . . . 0.0 113.241 -168.706 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.38 -171.73 1.3 Allowed 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 122.838 2.358 . . . . 0.0 111.463 167.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.722 ' H ' HD22 ' A' ' 41' ' ' LEU . 1.5 mm? -47.48 -28.64 2.27 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.583 1.953 . . . . 0.0 113.635 176.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.7 -14.81 62.6 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.153 1.781 . . . . 0.0 115.11 -172.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.09 144.85 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 120.425 1.466 . . . . 0.0 109.031 168.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -150.37 170.86 18.02 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 124.246 1.018 . . . . 0.0 109.25 -175.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -54.42 -30.08 51.28 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.99 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -61.52 -36.6 81.0 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 120.343 1.428 . . . . 0.0 114.725 172.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -80.8 -41.88 22.61 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.398 1.479 . . . . 0.0 108.727 -177.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.495 HD13 HD11 ' A' ' 63' ' ' ILE . 4.6 mt -63.48 -34.92 78.82 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.97 170.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -64.13 -41.93 97.02 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 119.546 -1.971 . . . . 0.0 112.051 172.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -60.58 -38.84 85.9 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 173.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.0 mt -85.55 -37.55 12.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 123.762 0.825 . . . . 0.0 112.782 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.46 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 27.7 m-85 -106.3 -20.01 13.52 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.57 1.548 . . . . 0.0 113.516 -169.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.39 -33.12 31.62 Favored Glycine 0 CA--C 1.543 1.81 0 CA-C-O 117.568 -1.685 . . . . 0.0 115.034 168.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.09 -26.73 83.25 Favored 'Trans proline' 0 C--N 1.359 1.08 0 CA-C-N 121.489 2.645 . . . . 0.0 114.441 171.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.6 m-30 -81.48 -48.61 11.62 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.995 0.918 . . . . 0.0 110.725 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.02 -76.76 0.39 Allowed Glycine 0 CA--C 1.533 1.205 0 N-CA-C 115.757 1.063 . . . . 0.0 115.757 168.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -85.93 48.48 2.08 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 124.025 3.15 . . . . 0.0 114.488 -168.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.0 ptm -60.26 67.04 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 128.044 2.538 . . . . 0.0 112.794 168.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -32.55 67.38 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 130.053 3.341 . . . . 0.0 113.503 -176.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -150.32 160.15 43.93 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 122.247 1.022 . . . . 0.0 110.819 172.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.603 HG13 HG22 ' A' ' 70' ' ' VAL . 1.9 t -149.3 71.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 -170.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -71.14 103.94 2.91 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 -172.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.546 ' C ' HD12 ' A' ' 64' ' ' LEU . 36.3 mt -114.67 123.96 70.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.482 1.113 . . . . 0.0 112.299 -166.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.546 HD12 ' C ' ' A' ' 63' ' ' ILE . 5.2 mp -129.87 -175.78 3.72 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 129.029 2.932 . . . . 0.0 109.342 -173.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -58.64 56.07 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 129.568 3.147 . . . . 0.0 117.327 -170.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.74 -2.82 27.48 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.665 1.603 . . . . 0.0 113.13 -170.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -119.78 148.49 43.36 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.182 0.991 . . . . 0.0 110.778 -169.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.56 129.42 37.01 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 126.352 1.861 . . . . 0.0 107.428 169.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.439 ' CE2' HD13 ' A' ' 64' ' ' LEU . 3.6 m-85 -114.05 82.94 1.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 104.45 -2.426 . . . . 0.0 104.45 167.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.607 ' HB ' HD23 ' A' ' 34' ' ' LEU . 1.9 t -65.11 151.3 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 174.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -147.68 145.23 28.82 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -168.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.748 ' CE2' HD21 ' A' ' 34' ' ' LEU . 18.8 m-85 -123.32 166.37 15.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.947 0.879 . . . . 0.0 112.015 -178.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -105.24 13.01 31.21 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.015 1.326 . . . . 0.0 111.422 169.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -150.93 133.41 15.55 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.864 2.065 . . . . 0.0 110.164 -170.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.59 -17.71 47.34 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.993 0.917 . . . . 0.0 113.242 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -64.59 -37.91 89.2 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 169.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.3 t -65.72 -39.17 90.92 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 118.756 -0.64 . . . . 0.0 111.202 172.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.61 -49.58 72.78 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.084 0.856 . . . . 0.0 111.644 173.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.62 -49.98 64.02 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.348 1.059 . . . . 0.0 112.81 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -38.97 70.03 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 117.963 -1.018 . . . . 0.0 112.972 177.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.66 81.78 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.373 0.988 . . . . 0.0 109.308 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.464 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 17.8 mt -54.12 -58.45 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 124.146 0.978 . . . . 0.0 110.721 172.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -63.31 -21.15 66.08 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -87.75 -36.71 17.18 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.34 1.856 . . . . 0.0 112.983 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.697 HG13 HG21 ' A' ' 97' ' ' VAL . 12.4 p -152.52 -3.06 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -167.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.464 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 14.5 t60 -65.33 119.16 10.44 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 118.962 -2.336 . . . . 0.0 113.259 169.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.74 10.18 83.54 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 123.924 0.773 . . . . 0.0 113.31 168.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -75.09 -62.8 1.43 Allowed 'General case' 0 C--N 1.343 0.288 0 C-N-CA 125.837 1.655 . . . . 0.0 113.33 -169.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.2 t 120.54 114.49 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 131.274 3.83 . . . . 0.0 110.375 -178.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.509 ' HB2' HD21 ' A' ' 95' ' ' LEU . 16.5 t80 -123.87 148.17 47.02 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.004 1.322 . . . . 0.0 110.757 172.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.08 -59.72 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.739 2.416 . . . . 0.0 115.026 -170.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.413 HD21 ' NE2' ' A' ' 93' ' ' GLN . 1.7 p30 -156.1 -3.91 0.12 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.575 1.95 . . . . 0.0 114.566 170.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.413 ' NE2' HD21 ' A' ' 92' ' ' ASN . 18.3 pt20 -156.28 156.23 29.98 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 119.82 1.191 . . . . 0.0 112.683 -167.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.79 166.07 27.6 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.544 2.163 . . . . 0.0 116.185 -171.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.652 ' HB3' HG23 ' A' ' 97' ' ' VAL . 2.5 mm? -100.42 156.87 17.02 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 128.161 2.584 . . . . 0.0 112.077 -174.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -119.13 50.19 1.25 Allowed 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 124.793 2.235 . . . . 0.0 110.008 172.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.697 HG21 HG13 ' A' ' 85' ' ' VAL . 60.3 t -64.04 99.76 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 126.8 2.04 . . . . 0.0 107.125 177.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.853 HG13 ' H ' ' A' ' 99' ' ' TYR 0.295 0.4 OUTLIER -155.32 -118.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.242 0.692 0 CA-C-N 121.02 1.736 . . . . 0.0 112.391 -164.999 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.853 ' H ' HG13 ' A' ' 98' ' ' VAL . 10.3 m-85 -115.73 9.2 15.12 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.708 2.403 . . . . 0.0 111.69 169.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.463 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.38 40.0 t 42.96 -176.92 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 129.434 3.093 . . . . 0.0 116.606 -171.526 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -167.58 -174.45 2.5 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 128.053 2.541 . . . . 0.0 111.122 -174.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.6 mt -56.59 150.51 34.93 Favored Pre-proline 0 CA--C 1.555 1.142 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.57 168.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -53.88 5.45 0.03 OUTLIER 'Trans proline' 0 CA--C 1.55 1.308 1 C-N-CA 126.191 4.594 . . . . 0.0 120.05 -176.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.189 0 C-N-CA 126.366 1.866 . . . . 0.0 113.261 175.635 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 pm0 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 119.949 -0.072 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.32 -73.84 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 127.76 2.424 . . . . 0.0 113.913 -178.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -166.28 -8.73 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 129.206 3.002 . . . . 0.0 112.289 175.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.492 ' HA ' ' CD1' ' A' ' 99' ' ' TYR 0.343 0.2 OUTLIER 45.77 -13.27 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 121.381 3.845 . . . . 0.0 121.381 176.977 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.435 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 70.9 p -146.48 27.83 1.1 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 -166.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.591 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 0.1 OUTLIER -134.27 125.19 27.21 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 117.022 2.23 . . . . 0.0 117.022 -165.028 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.847 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -104.12 109.45 21.26 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 120.889 -1.132 . . . . 0.0 111.293 -169.324 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.533 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 1.2 t80 -97.9 98.9 10.2 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 124.978 2.323 . . . . 0.0 106.734 -171.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.54 HG21 ' HZ ' ' A' ' 52' ' ' PHE 0.287 33.1 t -126.13 99.54 5.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 111.838 -2.437 . . . . 0.0 108.899 -158.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.472 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 16.4 ptt-85 -137.08 -2.88 0.03 OUTLIER Pre-proline 0 CA--C 1.556 1.179 0 N-CA-C 119.3 3.074 . . . . 0.0 119.3 -168.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.472 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 6.3 Cg_exo -48.66 -42.51 36.05 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 123.777 2.985 . . . . 0.0 117.419 173.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.79 152.32 69.07 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 125.19 1.396 . . . . 0.0 112.087 178.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -73.99 -151.3 0.03 OUTLIER 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 121.901 1.734 . . . . 0.0 109.351 165.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.804 ' H ' HD22 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -58.15 -17.73 20.53 Favored 'General case' 0 CA--C 1.553 1.091 0 O-C-N 120.348 -1.47 . . . . 0.0 113.262 172.306 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.32 37.12 0.07 Allowed 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 129.303 3.041 . . . . 0.0 116.063 -175.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.2 p -136.46 147.46 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.448 1.499 . . . . 0.0 111.237 171.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -158.94 -175.08 5.08 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.409 1.084 . . . . 0.0 111.235 172.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.11 -22.28 50.11 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 -175.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 p -71.76 -33.09 68.37 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 121.011 1.732 . . . . 0.0 114.081 171.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.6 -42.5 22.13 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.663 1.185 . . . . 0.0 108.519 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.61 HD12 HD11 ' A' ' 63' ' ' ILE . 28.8 mt -61.08 -36.11 78.76 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.917 168.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -62.38 -41.69 98.83 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 119.028 -2.295 . . . . 0.0 111.898 174.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -61.47 -38.04 85.8 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 173.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.2 mt -86.93 -37.73 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.932 0.893 . . . . 0.0 113.022 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.54 ' HZ ' HG21 ' A' ' 36' ' ' VAL . 30.0 m-85 -108.59 -22.95 12.04 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.763 2.025 . . . . 0.0 113.277 -169.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.83 -33.36 35.31 Favored Glycine 0 CA--C 1.544 1.871 0 CA-C-O 117.564 -1.687 . . . . 0.0 114.506 169.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.89 -27.28 84.56 Favored 'Trans proline' 0 C--N 1.356 0.926 0 CA-C-N 121.391 2.596 . . . . 0.0 114.503 169.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.415 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.8 m-30 -78.57 -48.36 15.35 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.868 0.867 . . . . 0.0 110.237 179.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.64 -74.17 0.41 Allowed Glycine 0 CA--C 1.539 1.572 0 N-CA-C 119.287 2.475 . . . . 0.0 119.287 165.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.4 -37.08 3.46 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 123.263 2.642 . . . . 0.0 117.914 -165.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.6 mtp 33.96 53.48 0.51 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 126.441 1.896 . . . . 0.0 114.897 -175.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.85 -30.24 44.6 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.204 1.802 . . . . 0.0 113.319 -172.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -152.0 156.55 40.21 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 122.276 1.036 . . . . 0.0 111.497 169.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.2 t -151.66 70.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 -167.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -75.34 121.71 22.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.61 HD11 HD12 ' A' ' 48' ' ' LEU . 14.9 mt -132.52 129.36 58.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-O 122.574 1.178 . . . . 0.0 110.395 -173.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.524 HD12 ' C ' ' A' ' 63' ' ' ILE . 5.0 mp -123.65 172.62 8.67 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 128.875 2.87 . . . . 0.0 107.62 -174.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -29.71 -58.25 0.17 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.428 1.891 . . . . 0.0 115.138 -169.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.96 38.68 1.68 Allowed Glycine 0 CA--C 1.532 1.127 0 C-N-CA 126.011 1.767 . . . . 0.0 113.233 169.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -138.59 153.56 48.67 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.767 1.227 . . . . 0.0 111.377 -178.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -137.25 141.2 42.01 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 126.236 1.814 . . . . 0.0 109.829 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.496 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -133.94 79.59 1.82 Allowed 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 105.561 -2.015 . . . . 0.0 105.561 177.369 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.57 ' HB ' HD23 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -70.53 158.79 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 112.288 -2.233 . . . . 0.0 106.7 174.438 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -156.89 150.07 24.03 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 120.999 -1.063 . . . . 0.0 108.863 -167.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.847 ' CE2' HD21 ' A' ' 34' ' ' LEU . 26.5 m-85 -131.62 159.77 37.31 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.707 1.203 . . . . 0.0 110.561 176.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -92.37 -3.58 55.11 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.0 163.16 33.44 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.188 1.395 . . . . 0.0 112.201 177.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.1 1.71 55.18 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -169.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -87.78 -46.03 9.81 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 124.473 1.109 . . . . 0.0 112.801 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -60.72 -36.26 78.38 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 168.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.435 ' HB2' ' HA ' ' A' ' 32' ' ' THR . . . -65.71 -54.48 26.78 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 118.846 -0.597 . . . . 0.0 111.957 174.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.79 -47.06 71.15 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 123.833 0.853 . . . . 0.0 112.067 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.1 -41.7 77.1 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 117.746 -1.121 . . . . 0.0 112.756 175.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.86 77.51 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.761 1.164 . . . . 0.0 110.165 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.7 mt -51.91 -59.93 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.352 1.061 . . . . 0.0 110.679 172.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -64.3 -25.8 68.21 Favored 'General case' 0 CA--C 1.551 0.991 0 O-C-N 121.319 -0.863 . . . . 0.0 113.248 -177.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -79.23 -39.2 33.76 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.551 1.941 . . . . 0.0 112.848 -178.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.623 HG13 HG21 ' A' ' 97' ' ' VAL . 14.4 p -149.14 -3.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 -167.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -66.71 124.94 24.29 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 119.413 -2.054 . . . . 0.0 111.929 169.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.02 -3.38 87.32 Favored Glycine 0 N--CA 1.472 1.044 0 C-N-CA 123.87 0.747 . . . . 0.0 111.93 169.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -81.32 140.61 34.69 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.949 2.1 . . . . 0.0 108.328 169.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.7 p -85.31 92.65 8.5 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 124.897 1.279 . . . . 0.0 112.505 -169.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.55 ' HB2' HD21 ' A' ' 95' ' ' LEU . 8.7 t80 -84.26 137.76 33.3 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.868 -0.52 . . . . 0.0 112.015 173.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 57.1 -55.1 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 129.117 2.967 . . . . 0.0 116.479 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -152.88 -11.67 0.16 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.25 2.22 . . . . 0.0 113.203 -176.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -165.84 164.4 11.71 Favored Pre-proline 0 N--CA 1.479 1.003 0 CA-C-N 120.476 1.489 . . . . 0.0 112.966 -172.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -80.84 145.74 16.07 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 N-CA-C 116.211 1.581 . . . . 0.0 116.211 -174.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.668 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.9 mm? -62.68 161.67 11.95 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.314 2.245 . . . . 0.0 113.593 172.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -126.57 48.57 2.13 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-O 124.23 1.967 . . . . 0.0 109.434 169.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.668 HG23 ' HB3' ' A' ' 95' ' ' LEU . 53.9 t -64.23 99.07 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 127.635 2.374 . . . . 0.0 107.231 177.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.829 HG13 ' H ' ' A' ' 99' ' ' TYR 0.258 1.3 p -158.29 -122.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 120.878 1.672 . . . . 0.0 114.612 -163.283 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.829 ' H ' HG13 ' A' ' 98' ' ' VAL . 6.7 m-85 -114.49 67.37 0.68 Allowed 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 130.265 3.426 . . . . 0.0 106.078 168.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.591 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 15.3 t -51.67 129.22 25.55 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.668 -1.27 . . . . 0.0 110.133 177.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.1 mmtm -59.79 142.38 53.42 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.711 1.205 . . . . 0.0 111.063 -167.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 96.1 mt -48.11 -37.09 12.81 Favored Pre-proline 0 CA--C 1.556 1.176 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 -172.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -60.96 -16.93 48.34 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 124.045 3.163 . . . . 0.0 117.281 173.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.215 0 C-N-CA 125.962 1.705 . . . . 0.0 111.662 -169.603 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 110.552 -0.166 . . . . 0.0 110.552 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.63 177.62 8.36 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.001 1.72 . . . . 0.0 110.154 -177.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -55.35 -27.22 45.84 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.054 1.742 . . . . 0.0 114.484 173.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.469 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 1.0 OUTLIER 54.4 8.09 0.18 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 128.019 2.528 . . . . 0.0 115.525 -170.621 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.6 p -147.74 12.9 1.02 Allowed 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 117.234 2.309 . . . . 0.0 117.234 -163.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 43.3 mtt-85 -130.82 129.39 42.31 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 119.542 3.164 . . . . 0.0 119.542 -165.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.612 HD21 ' CZ ' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -100.53 101.94 12.99 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 114.197 -1.365 . . . . 0.0 110.354 -172.3 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.433 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 1.5 t80 -95.41 101.11 12.81 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 124.195 1.95 . . . . 0.0 109.688 -174.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.403 ' CG1' ' HG ' ' A' ' 95' ' ' LEU . 28.0 m -133.06 129.69 57.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.45 -1.25 . . . . 0.0 108.7 -168.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -151.61 17.57 0.02 OUTLIER Pre-proline 0 CA--C 1.552 1.031 0 N-CA-C 117.475 2.398 . . . . 0.0 117.475 -165.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 60.5 Cg_endo -73.76 -25.91 14.1 Favored 'Trans proline' 0 C--N 1.353 0.807 0 CA-C-N 122.679 1.992 . . . . 0.0 113.756 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.437 ' CD1' HG11 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -74.76 157.47 85.79 Favored Pre-proline 0 CA--C 1.538 0.488 0 C-N-CA 125.745 1.618 . . . . 0.0 113.003 -169.763 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.66 -175.69 1.21 Allowed 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.215 1.943 . . . . 0.0 110.364 166.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.653 ' H ' HD22 ' A' ' 41' ' ' LEU . 1.1 mm? -58.83 -16.46 17.31 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.048 1.339 . . . . 0.0 113.857 -176.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.86 -17.98 63.4 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.246 2.219 . . . . 0.0 115.897 -175.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.437 HG11 ' CD1' ' A' ' 39' ' ' PHE . 6.8 p -60.14 141.55 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 CA-C-N 120.845 1.657 . . . . 0.0 112.825 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -141.89 173.59 11.37 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.966 1.306 . . . . 0.0 111.23 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -51.06 -30.55 16.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.62 1.168 . . . . 0.0 113.21 173.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.88 -33.69 76.16 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 173.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -83.81 -39.94 19.35 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.61 1.564 . . . . 0.0 108.482 -176.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.5 mt -62.72 -38.51 90.74 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.07 168.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -59.93 -41.76 92.49 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.724 -1.235 . . . . 0.0 112.719 172.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -59.68 -37.19 78.11 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 171.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.8 mt -80.17 -40.41 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.355 1.062 . . . . 0.0 112.457 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.585 ' CE2' HG21 ' A' ' 70' ' ' VAL . 55.3 m-85 -105.84 -25.11 12.3 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.348 1.859 . . . . 0.0 114.802 -169.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.72 -32.19 24.67 Favored Glycine 0 CA--C 1.54 1.654 0 CA-C-O 117.367 -1.796 . . . . 0.0 116.043 171.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -61.24 -24.94 79.87 Favored 'Trans proline' 0 C--N 1.361 1.23 0 CA-C-N 121.828 2.814 . . . . 0.0 114.141 173.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 2.6 m-85 -89.96 -44.13 10.09 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.752 1.221 . . . . 0.0 111.564 -177.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.61 -70.69 0.28 Allowed Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.133 1.349 . . . . 0.0 114.512 169.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -63.61 21.2 0.06 OUTLIER 'Trans proline' 0 CA--C 1.545 1.052 1 C-N-CA 125.515 4.144 . . . . 0.0 120.171 -173.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.419 ' HE3' ' HB2' ' A' ' 52' ' ' PHE . 2.7 ptm -49.08 108.91 0.21 Allowed 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 121.487 1.949 . . . . 0.0 109.702 168.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.51 ' HE2' ' C ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -128.28 -21.66 3.52 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.998 1.319 . . . . 0.0 113.631 -164.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.37 153.56 47.69 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.621 0.768 . . . . 0.0 109.984 165.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 t -153.67 77.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 124.447 1.099 . . . . 0.0 108.468 -166.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 127.97 34.96 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 169.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.469 ' C ' HD12 ' A' ' 64' ' ' LEU . 30.8 mt -133.79 123.96 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 122.396 1.093 . . . . 0.0 109.528 176.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.524 HD13 ' CE1' ' A' ' 69' ' ' PHE . 1.2 mp -122.24 172.0 8.61 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 127.376 2.27 . . . . 0.0 107.813 -177.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -12.4 -70.24 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 128.861 2.864 . . . . 0.0 114.648 -176.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.99 36.44 1.92 Allowed Glycine 0 CA--C 1.54 1.609 0 C-N-CA 127.11 2.29 . . . . 0.0 112.707 169.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -134.74 149.74 50.48 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.672 1.589 . . . . 0.0 110.664 -173.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -142.09 139.78 32.33 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.7 1.2 . . . . 0.0 111.423 -177.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.524 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -137.71 82.81 1.94 Allowed 'General case' 0 C--O 1.235 0.303 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 -174.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.585 HG21 ' CE2' ' A' ' 52' ' ' PHE . 1.5 t -84.54 158.8 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 113.674 -1.603 . . . . 0.0 108.353 -174.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -144.52 149.73 36.38 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.924 1.238 . . . . 0.0 110.325 -169.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.612 ' CZ ' HD21 ' A' ' 34' ' ' LEU . 22.9 m-85 -128.1 154.53 45.62 Favored 'General case' 0 C--O 1.231 0.084 0 N-CA-C 115.382 1.623 . . . . 0.0 115.382 -177.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.406 ' N ' ' HE2' ' A' ' 59' ' ' LYS . 10.0 pt-20 -87.74 -7.62 57.11 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.092 1.357 . . . . 0.0 113.041 177.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -129.02 128.66 44.1 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.496 1.519 . . . . 0.0 110.443 169.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.3 -18.55 61.64 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.737 -0.602 . . . . 0.0 111.919 169.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -66.86 -27.54 67.62 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.339 1.056 . . . . 0.0 113.015 170.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.518 ' HA ' ' CE ' ' A' ' 80' ' ' LYS . 12.5 t -76.34 -33.24 58.98 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 119.67 1.123 . . . . 0.0 111.827 169.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.36 -51.11 68.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 118.476 -0.774 . . . . 0.0 109.627 170.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.9 -52.24 25.59 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 124.932 1.293 . . . . 0.0 113.255 171.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.518 ' CE ' ' HA ' ' A' ' 77' ' ' SER . 1.5 ptpt -67.25 -44.74 78.64 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-O 118.731 -0.652 . . . . 0.0 112.129 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.3 -39.76 88.11 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.785 0.72 . . . . 0.0 110.38 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.465 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 16.7 mt -55.89 -59.81 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 123.581 0.752 . . . . 0.0 109.993 173.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -61.69 -31.86 72.03 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -76.81 -40.36 48.31 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.646 1.579 . . . . 0.0 113.191 -176.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.573 HG13 HG21 ' A' ' 97' ' ' VAL . 8.2 p -150.84 2.78 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -165.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.465 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 9.6 t60 -71.1 127.35 32.29 Favored 'General case' 0 N--CA 1.481 1.104 0 O-C-N 119.123 -2.236 . . . . 0.0 111.815 168.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.31 -9.27 67.68 Favored Glycine 0 N--CA 1.471 0.97 0 C-N-CA 125.444 1.497 . . . . 0.0 112.06 171.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.495 ' HE2' ' HA ' ' A' ' 85' ' ' VAL . 1.9 mppt? -74.24 137.98 43.36 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 127.596 2.358 . . . . 0.0 109.051 169.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.0 p -85.46 105.49 16.12 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 125.395 1.478 . . . . 0.0 111.743 -169.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -103.14 146.91 27.68 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.287 0.635 . . . . 0.0 110.245 173.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 59.84 -66.42 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.665 1.986 . . . . 0.0 114.797 -172.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.46 -2.97 0.06 Allowed 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 128.506 2.722 . . . . 0.0 113.587 -178.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -153.82 160.41 30.97 Favored Pre-proline 0 N--CA 1.486 1.355 0 C-N-CA 125.086 1.354 . . . . 0.0 111.02 -170.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -80.48 163.58 21.7 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.794 1.663 . . . . 0.0 115.56 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.6 ' HB3' HG23 ' A' ' 97' ' ' VAL . 1.5 mp -101.57 133.45 46.22 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 128.976 2.91 . . . . 0.0 111.911 -173.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -103.05 51.06 0.8 Allowed 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 125.09 2.376 . . . . 0.0 109.596 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.6 HG23 ' HB3' ' A' ' 95' ' ' LEU . 57.7 t -65.06 101.26 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.66 0 C-N-CA 126.851 2.06 . . . . 0.0 106.877 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.671 HG13 ' H ' ' A' ' 99' ' ' TYR 0.285 0.7 OUTLIER -154.26 -128.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 117.331 -1.748 . . . . 0.0 113.562 -164.194 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.671 ' H ' HG13 ' A' ' 98' ' ' VAL . 11.2 m-30 -107.53 17.34 22.82 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 127.268 2.227 . . . . 0.0 109.547 166.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.459 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.449 14.0 t 52.62 11.38 0.19 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 131.289 3.836 . . . . 0.0 119.485 -172.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -152.34 151.47 30.91 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.32 1.048 . . . . 0.0 109.863 167.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.4 mp -60.98 149.98 79.71 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.96 1.304 . . . . 0.0 112.641 -173.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.43 -3.7 11.49 Favored 'Trans proline' 0 CA--C 1.554 1.495 0 C-N-CA 123.761 2.974 . . . . 0.0 114.648 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 C-N-CA 126.699 2.0 . . . . 0.0 111.669 172.618 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.05 173.95 0.09 Allowed 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.969 2.108 . . . . 0.0 113.896 -170.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.5 m -64.48 -23.66 67.35 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.688 1.995 . . . . 0.0 115.935 -176.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.477 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.8 OUTLIER 59.76 -11.49 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 127.371 2.268 . . . . 0.0 116.966 -169.683 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.6 p -138.88 22.69 2.64 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 117.524 2.416 . . . . 0.0 117.524 -165.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.546 ' HB3' ' HB3' ' A' ' 100' ' ' SER . 21.8 mtt180 -133.14 141.36 48.1 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 121.698 2.044 . . . . 0.0 116.06 -167.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.769 HD21 ' CE2' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -114.74 109.89 18.88 Favored 'General case' 0 C--N 1.315 -0.931 0 O-C-N 120.271 -1.518 . . . . 0.0 111.436 -168.557 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.44 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 0.9 OUTLIER -94.59 102.14 14.05 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 -173.119 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . 0.306 15.7 t -128.16 102.03 7.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-N 113.485 -1.689 . . . . 0.0 106.955 -160.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.471 ' H ' ' HD3' ' A' ' 38' ' ' PRO . 19.4 ptt-85 -135.82 0.36 0.04 OUTLIER Pre-proline 0 CA--C 1.553 1.069 0 N-CA-C 121.022 3.712 . . . . 0.0 121.022 -165.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HD3' ' H ' ' A' ' 37' ' ' ARG . 59.3 Cg_exo -50.91 -36.04 51.61 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.149 2.566 . . . . 0.0 116.501 175.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -76.5 159.36 79.75 Favored Pre-proline 0 CA--C 1.536 0.412 0 C-N-CA 126.041 1.736 . . . . 0.0 113.964 -168.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -81.0 -167.15 0.47 Allowed 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.935 2.424 . . . . 0.0 111.467 166.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.71 ' H ' HD22 ' A' ' 41' ' ' LEU . 1.6 mm? -44.3 -28.16 0.5 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 127.113 2.165 . . . . 0.0 114.048 175.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.19 -22.24 66.87 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.844 2.057 . . . . 0.0 115.116 -173.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.0 p -68.73 133.83 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 120.896 1.68 . . . . 0.0 111.695 174.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -140.08 178.73 7.06 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.477 1.511 . . . . 0.0 109.267 176.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -22.68 29.81 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.2 m -74.51 -30.69 61.9 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.802 1.241 . . . . 0.0 113.072 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -83.8 -38.12 21.68 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.601 1.56 . . . . 0.0 107.876 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.576 HD12 HD11 ' A' ' 63' ' ' ILE . 55.5 mt -64.85 -34.87 79.4 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.082 167.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -61.05 -39.88 91.53 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 119.315 -2.116 . . . . 0.0 112.453 170.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.42 -39.67 80.41 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 171.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.2 mt -87.48 -41.76 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.638 1.175 . . . . 0.0 114.135 -176.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.447 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 56.5 m-85 -100.36 -21.7 15.33 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.4 2.28 . . . . 0.0 113.442 -169.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -47.58 -35.35 10.99 Favored Glycine 0 CA--C 1.543 1.785 0 CA-C-O 117.481 -1.733 . . . . 0.0 115.654 170.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -61.45 -25.51 79.92 Favored 'Trans proline' 0 C--N 1.355 0.898 0 CA-C-N 121.461 2.631 . . . . 0.0 114.254 173.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.401 ' CE2' ' HA ' ' A' ' 52' ' ' PHE . 1.4 m-30 -85.17 -49.24 8.39 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.899 0.88 . . . . 0.0 111.15 -174.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.7 -71.98 0.44 Allowed Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.129 1.347 . . . . 0.0 115.194 169.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -51.68 -52.25 9.42 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 124.17 3.247 . . . . 0.0 117.725 -169.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.3 ptp 22.53 62.68 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 127.573 2.349 . . . . 0.0 114.204 -173.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -33.97 74.21 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 128.676 2.791 . . . . 0.0 114.005 -167.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -145.03 161.25 39.87 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.297 0.57 . . . . 0.0 112.421 169.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 t -153.29 72.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.328 -163.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -69.3 126.1 28.74 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 170.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.576 HD11 HD12 ' A' ' 48' ' ' LEU . 9.5 mt -131.79 126.23 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 119.81 1.186 . . . . 0.0 110.378 177.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.525 HD13 ' CE1' ' A' ' 69' ' ' PHE . 3.4 mp -133.34 92.57 3.02 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 127.42 2.288 . . . . 0.0 109.692 -168.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 38.39 38.53 0.23 Allowed 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 117.12 2.267 . . . . 0.0 117.12 168.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.07 -34.78 2.56 Favored Glycine 0 N--CA 1.471 1.018 0 O-C-N 120.28 -1.513 . . . . 0.0 114.57 -175.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -96.58 147.09 24.23 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 124.759 1.223 . . . . 0.0 110.245 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.74 140.18 51.15 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 126.969 2.108 . . . . 0.0 108.076 173.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.525 ' CE1' HD13 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -133.35 81.06 1.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 176.61 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.447 HG21 ' CZ ' ' A' ' 52' ' ' PHE . 1.3 t -74.35 163.28 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 112.78 -2.009 . . . . 0.0 107.701 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -153.4 152.7 31.35 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 121.139 -0.976 . . . . 0.0 109.891 -168.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.769 ' CE2' HD21 ' A' ' 34' ' ' LEU . 22.3 m-85 -129.8 160.47 33.36 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.058 1.343 . . . . 0.0 111.436 171.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -86.71 -8.53 57.33 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.87 156.85 47.94 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.486 1.914 . . . . 0.0 111.499 174.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.62 -4.09 47.18 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -74.23 -43.01 58.76 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 120.834 -1.166 . . . . 0.0 112.445 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 t -65.77 -32.37 73.87 Favored 'General case' 0 CA--C 1.514 -0.432 0 O-C-N 121.344 -0.848 . . . . 0.0 112.165 169.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.66 -48.04 76.26 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 118.359 -0.829 . . . . 0.0 111.303 172.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.2 -51.08 57.2 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 124.16 0.984 . . . . 0.0 112.462 172.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -68.64 -40.32 80.32 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.74 -43.77 85.61 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.436 0.694 . . . . 0.0 109.859 176.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.458 ' HA ' ' HB2' ' A' ' 86' ' ' HIS . 15.3 mt -56.15 -55.66 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 121.013 -1.054 . . . . 0.0 110.494 174.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.06 -24.06 66.86 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -88.58 -37.42 15.68 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.445 1.498 . . . . 0.0 113.704 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.806 HG13 HG21 ' A' ' 97' ' ' VAL . 10.9 p -148.51 -9.01 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 116.202 1.927 . . . . 0.0 116.202 -167.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.458 ' HB2' ' HA ' ' A' ' 82' ' ' ILE . 10.1 t60 -63.85 118.1 7.89 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 119.423 -2.048 . . . . 0.0 112.906 170.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.99 -1.96 87.76 Favored Glycine 0 N--CA 1.474 1.207 0 C-N-CA 124.474 1.035 . . . . 0.0 111.497 171.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.445 ' HE2' ' CA ' ' A' ' 85' ' ' VAL . 2.3 mppt? -79.76 147.44 31.86 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.98 1.712 . . . . 0.0 106.914 168.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.1 m -95.29 122.95 38.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.095 0.474 . . . . 0.0 111.6 -173.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.628 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.2 t80 -110.43 144.76 38.74 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.024 0.929 . . . . 0.0 111.652 169.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.92 -58.73 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 128.794 2.838 . . . . 0.0 115.69 -173.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -155.41 -4.39 0.14 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.771 2.028 . . . . 0.0 114.322 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -162.94 167.05 12.46 Favored Pre-proline 0 CA--C 1.549 0.909 0 CA-C-N 120.556 1.525 . . . . 0.0 112.83 -170.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -84.92 157.96 11.69 Favored 'Trans proline' 0 C--N 1.346 0.409 0 N-CA-C 118.035 2.283 . . . . 0.0 118.035 -170.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.628 HD21 ' HB2' ' A' ' 90' ' ' PHE . 1.5 mm? -82.35 153.73 25.62 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.565 2.346 . . . . 0.0 113.122 171.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -123.14 53.72 1.29 Allowed 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 125.479 2.562 . . . . 0.0 110.377 175.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.806 HG21 HG13 ' A' ' 85' ' ' VAL . 68.0 t -66.41 99.17 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 127.528 2.331 . . . . 0.0 107.677 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.819 HG13 ' H ' ' A' ' 99' ' ' TYR 0.298 0.3 OUTLIER -156.25 -104.46 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 CA-C-N 120.707 1.594 . . . . 0.0 113.284 -165.359 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.819 ' H ' HG13 ' A' ' 98' ' ' VAL . 8.7 m-85 -125.11 17.07 8.46 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 129.085 2.954 . . . . 0.0 110.526 176.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.546 ' HB3' ' HB3' ' A' ' 33' ' ' ARG 0.47 1.4 p 35.03 3.79 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.582 2 C-N-CA 134.846 5.258 . . . . 0.0 122.266 -171.115 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 52.35 34.37 14.82 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.777 1.631 . . . . 0.0 113.563 173.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 25.1 tp -140.22 121.61 9.46 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 126.745 2.018 . . . . 0.0 108.397 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -84.99 -0.37 9.15 Favored 'Trans proline' 0 CA--C 1.551 1.328 0 C-N-CA 123.725 2.95 . . . . 0.0 115.017 -171.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.926 0 C-N-CA 126.429 1.892 . . . . 0.0 111.529 -175.814 . . . . . . . . 0 0 . 1 stop_ save_